*HEADER    MEMBRANE PROTEIN                        25-JUL-06   2HTG              
*TITLE     STRUCTURAL AND FUNCTIONAL CHARACTERIZATION OF TM VII OF THE           
*TITLE    2 NHE1 ISOFORM OF THE NA+/H+ EXCHANGER                                 
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: NHE1 ISOFORM OF NA+/H+ EXCHANGER 1;                        
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: TRANSMEMBRANE SEGMENT VII;                                 
*COMPND   5 SYNONYM: SODIUM/HYDROGEN EXCHANGER 1;  NHE-1; SOLUTE                 
*COMPND   6 CARRIER FAMILY 9 MEMBER 1; APNH;                                     
*COMPND   7 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: SYNTHESIZED USING SOLID-PHASE CHEMICAL                
*SOURCE   4 PEPTIDE SYNTHESIS TECHNIQUES. ONE UNLABELED, ONE LABELED             
*SOURCE   5 SAMPLE (15N LABELS AT L254, L258, G261, L264, A268, AND              
*SOURCE   6 L273)                                                                
*KEYWDS    MEMBRANE PROTEIN, TRANSMEMBRANE SEGMENT, HELIX-KINK-HELIX             
*EXPDTA    NMR, 66 STRUCTURES                                                    
*AUTHOR    J.K.RAINEY, J.DING, C.XU, L.FLIEGEL, B.D.SYKES                        
*REVDAT   1   08-AUG-06 2HTG    0                                                


! Autogenerated using SparkyNOEcal3.tcl from Sparky peak list:
!  /Users/jrainey/xplor-files/TM7/N674/N674_noesy.list
! NOE data collected at 800 MHz, 250 ms mixing time. Sample label N674.
! 6 15N labels in peptide: L5, L9, G12, L15, A19, L24
! 15N Decoupled in w1 dimension, not in w2 dimension.
! Peak data parsed such that each HN+/-JHN is treated as separate constraint, rather than
! averaging or anything like that.

! Intraresidue NOEs
 
! =========== Intraresidue contacts to residue 1 ============
assign (resid  1 and name HD2 and segid A) (resid  1 and name HB* and segid A) 2.900 1.100 1.100
assign (resid  1 and name HD2 and segid B) (resid  1 and name HB* and segid B) 2.900 1.100 1.100
assign (resid  1 and name HD2 and segid A) (resid  1 and name HB* and segid A) 2.900 1.100 1.100
assign (resid  1 and name HD2 and segid B) (resid  1 and name HB* and segid B) 2.900 1.100 1.100
assign (resid  1 and name HB* and segid A) (resid  1 and name HD2 and segid A) 2.900 1.100 1.100
assign (resid  1 and name HB* and segid B) (resid  1 and name HD2 and segid B) 2.900 1.100 1.100
assign (resid  1 and name HB* and segid A) (resid  1 and name HD2 and segid A) 2.900 1.100 1.100 ! incr to 4.0 after round 4. (42 viol avg 0.156)
assign (resid  1 and name HB* and segid B) (resid  1 and name HD2 and segid B) 2.900 1.100 1.100 ! incr to 4.0 after round 4. (36 viol avg 0.160)
assign (resid  1 and name HA and segid A) (resid  1 and name HD2 and segid A) 2.300 0.500 0.500
assign (resid  1 and name HA and segid B) (resid  1 and name HD2 and segid B) 2.300 0.500 0.500
assign (resid  1 and name HE1 and segid A) (resid  1 and name HD2 and segid A) 3.400 1.600 1.600 ! incr to 5.0 after round 4. (60 viol avg 0.210)
assign (resid  1 and name HE1 and segid B) (resid  1 and name HD2 and segid B) 3.400 1.600 1.600 ! incr to 5.0 after round 4. (60 viol avg 0.210)
! assign (resid   1 and name HB*) (resid   1 and name HB*)  2.900 1.800 4.000 ! geminal protons with same pseudoatom name
! assign (resid   1 and name HB*) (resid   1 and name HB*)  2.900 1.800 4.000 ! geminal protons with same pseudoatom name
assign (resid  1 and name HA and segid A) (resid  1 and name HB* and segid A) 2.300 0.500 0.500
assign (resid  1 and name HA and segid B) (resid  1 and name HB* and segid B) 2.300 0.500 0.500
assign (resid  1 and name HA and segid A) (resid  1 and name HB* and segid A) 2.300 0.500 0.500
assign (resid  1 and name HA and segid B) (resid  1 and name HB* and segid B) 2.300 0.500 0.500
 
! =========== Intraresidue contacts to residue 2 ============
assign (resid  2 and name HB and segid A) (resid  2 and name HA and segid A) 2.900 1.100 1.100 ! incr to 4.0 after round 4. (24 viol avg 0.154)
assign (resid  2 and name HB and segid B) (resid  2 and name HA and segid B) 2.900 1.100 1.100 ! incr to 4.0 after round 4. (18 viol avg 0.175)
assign (resid  2 and name HA and segid A) (resid  2 and name HG1* and segid A) 2.900 1.100 1.100 ! incr to 4.0 after round 3. (25 viol avg 0.452)
assign (resid  2 and name HA and segid B) (resid  2 and name HG1* and segid B) 2.900 1.100 1.100 ! incr to 4.0 after round 3. (33 viol avg 0.477)
assign (resid  2 and name HG1* and segid A) (resid  2 and name HD1* and segid A) 2.900 1.100 1.100
assign (resid  2 and name HG1* and segid B) (resid  2 and name HD1* and segid B) 2.900 1.100 1.100
assign (resid  2 and name HG1* and segid A) (resid  2 and name HG2* and segid A) 2.900 1.100 1.100
assign (resid  2 and name HG1* and segid B) (resid  2 and name HG2* and segid B) 2.900 1.100 1.100
! assign (resid   2 and name HG1*) (resid   2 and name HG1*)  2.900 1.800 4.000 ! geminal protons with same pseudoatom name
assign (resid  2 and name HB and segid A) (resid  2 and name HG1* and segid A) 2.300 0.500 0.500
assign (resid  2 and name HB and segid B) (resid  2 and name HG1* and segid B) 2.300 0.500 0.500
assign (resid  2 and name HB and segid A) (resid  2 and name HG1* and segid A) 2.300 0.500 0.500
assign (resid  2 and name HB and segid B) (resid  2 and name HG1* and segid B) 2.300 0.500 0.500
 
! =========== Intraresidue contacts to residue 3 ============
assign (resid  3 and name HB* and segid A) (resid  3 and name HN and segid A) 2.900 1.100 1.100
assign (resid  3 and name HB* and segid B) (resid  3 and name HN and segid B) 2.900 1.100 1.100
assign (resid  3 and name HB* and segid A) (resid  3 and name HN and segid A) 2.900 1.100 1.100
assign (resid  3 and name HB* and segid B) (resid  3 and name HN and segid B) 2.900 1.100 1.100
assign (resid  3 and name HN and segid A) (resid  3 and name HB* and segid A) 2.900 1.100 1.100
assign (resid  3 and name HN and segid B) (resid  3 and name HB* and segid B) 2.900 1.100 1.100
assign (resid  3 and name HN and segid A) (resid  3 and name HB* and segid A) 2.900 1.100 1.100
assign (resid  3 and name HN and segid B) (resid  3 and name HB* and segid B) 2.900 1.100 1.100
assign (resid  3 and name HB* and segid A) (resid  3 and name HD2* and segid A) 2.300 0.500 0.500
assign (resid  3 and name HB* and segid B) (resid  3 and name HD2* and segid B) 2.300 0.500 0.500
assign (resid  3 and name HB* and segid A) (resid  3 and name HD2* and segid A) 2.300 0.500 0.500
assign (resid  3 and name HB* and segid B) (resid  3 and name HD2* and segid B) 2.300 0.500 0.500
assign (resid  3 and name HB* and segid A) (resid  3 and name HD2* and segid A) 2.300 0.500 0.500
assign (resid  3 and name HB* and segid B) (resid  3 and name HD2* and segid B) 2.300 0.500 0.500
assign (resid  3 and name HB* and segid A) (resid  3 and name HD2* and segid A) 2.300 0.500 0.500
assign (resid  3 and name HB* and segid B) (resid  3 and name HD2* and segid B) 2.300 0.500 0.500
assign (resid  3 and name HD2* and segid A) (resid  3 and name HN and segid A) 2.300 0.500 0.500
assign (resid  3 and name HD2* and segid B) (resid  3 and name HN and segid B) 2.300 0.500 0.500
assign (resid  3 and name HD2* and segid A) (resid  3 and name HN and segid A) 2.300 0.500 0.500
assign (resid  3 and name HD2* and segid B) (resid  3 and name HN and segid B) 2.300 0.500 0.500
assign (resid  3 and name HA and segid A) (resid  3 and name HN and segid A) 2.900 1.100 1.100 ! incr to 4.0 after round 4. (37 viol avg 0.135)
assign (resid  3 and name HA and segid B) (resid  3 and name HN and segid B) 2.900 1.100 1.100 ! incr to 4.0 after round 4. (38 viol avg 0.132)
assign (resid  3 and name HA and segid A) (resid  3 and name HD2* and segid A) 2.900 1.100 1.100 ! incr to 4.0 after round 9. (6 viol avg 0.243)
assign (resid  3 and name HA and segid B) (resid  3 and name HD2* and segid B) 2.900 1.100 1.100 ! incr to 4.0 after round 4. (12 viol avg 0.297)
assign (resid  3 and name HN and segid A) (resid  3 and name HD2* and segid A) 2.300 0.500 0.500
assign (resid  3 and name HN and segid B) (resid  3 and name HD2* and segid B) 2.300 0.500 0.500
assign (resid  3 and name HN and segid A) (resid  3 and name HD2* and segid A) 2.300 0.500 0.500
assign (resid  3 and name HN and segid B) (resid  3 and name HD2* and segid B) 2.300 0.500 0.500
! assign (resid   3 and name HD2*) (resid   3 and name HD2*)  3.400 1.800 5.000 ! geminal protons with same pseudoatom name
assign (resid  3 and name HD2* and segid A) (resid  3 and name HB* and segid A) 2.300 0.500 0.500
assign (resid  3 and name HD2* and segid B) (resid  3 and name HB* and segid B) 2.300 0.500 0.500
assign (resid  3 and name HD2* and segid A) (resid  3 and name HB* and segid A) 2.300 0.500 0.500
assign (resid  3 and name HD2* and segid B) (resid  3 and name HB* and segid B) 2.300 0.500 0.500
assign (resid  3 and name HA and segid A) (resid  3 and name HB* and segid A) 2.300 0.500 0.500
assign (resid  3 and name HA and segid B) (resid  3 and name HB* and segid B) 2.300 0.500 0.500
assign (resid  3 and name HA and segid A) (resid  3 and name HB* and segid A) 2.900 1.100 1.100
assign (resid  3 and name HA and segid B) (resid  3 and name HB* and segid B) 2.900 1.100 1.100
assign (resid  3 and name HD2* and segid A) (resid  3 and name HB* and segid A) 2.300 0.500 0.500
assign (resid  3 and name HD2* and segid B) (resid  3 and name HB* and segid B) 2.300 0.500 0.500
assign (resid  3 and name HD2* and segid A) (resid  3 and name HB* and segid A) 2.900 1.100 1.100
assign (resid  3 and name HD2* and segid B) (resid  3 and name HB* and segid B) 2.900 1.100 1.100
 
! =========== Intraresidue contacts to residue 4 ============
assign (resid  4 and name HG* and segid A) (resid  4 and name HN and segid A) 2.300 0.500 0.500
assign (resid  4 and name HG* and segid B) (resid  4 and name HN and segid B) 2.300 0.500 0.500
assign (resid  4 and name HG* and segid A) (resid  4 and name HN and segid A) 2.300 0.500 0.500
assign (resid  4 and name HG* and segid B) (resid  4 and name HN and segid B) 2.300 0.500 0.500
assign (resid  4 and name HB* and segid A) (resid  4 and name HN and segid A) 2.900 1.100 1.100
assign (resid  4 and name HB* and segid B) (resid  4 and name HN and segid B) 2.900 1.100 1.100
assign (resid  4 and name HB* and segid A) (resid  4 and name HN and segid A) 2.900 1.100 1.100
assign (resid  4 and name HB* and segid B) (resid  4 and name HN and segid B) 2.900 1.100 1.100
assign (resid  4 and name HA and segid A) (resid  4 and name HN and segid A) 2.900 1.100 1.100 ! incr to 4.0 after round 4. (19 viol avg 0.124)
assign (resid  4 and name HA and segid B) (resid  4 and name HN and segid B) 2.900 1.100 1.100 ! incr to 4.0 after round 4. (26 viol avg 0.126)
assign (resid  4 and name HA and segid A) (resid  4 and name HG* and segid A) 2.900 1.100 1.100 ! incr to 4.0 after round 3. (17 viol avg 0.352)
assign (resid  4 and name HA and segid B) (resid  4 and name HG* and segid B) 2.900 1.100 1.100 ! incr to 4.0 after round 3. (21 viol avg 0.366)
assign (resid  4 and name HA and segid A) (resid  4 and name HG* and segid A) 2.900 1.100 1.100 ! incr to 4.0 after round 3. (17 viol avg 0.352)
assign (resid  4 and name HA and segid B) (resid  4 and name HG* and segid B) 2.900 1.100 1.100 ! incr to 4.0 after round 3. (21 viol avg 0.366)
assign (resid  4 and name HG* and segid A) (resid  4 and name HB* and segid A) 2.900 1.100 1.100
assign (resid  4 and name HG* and segid B) (resid  4 and name HB* and segid B) 2.900 1.100 1.100
assign (resid  4 and name HG* and segid A) (resid  4 and name HB* and segid A) 2.300 0.500 0.500
assign (resid  4 and name HG* and segid B) (resid  4 and name HB* and segid B) 2.300 0.500 0.500
! assign (resid   4 and name HG*) (resid   4 and name HG*)  2.900 1.800 4.000 ! geminal protons with same pseudoatom name
! assign (resid   4 and name HG*) (resid   4 and name HG*)  2.900 1.800 4.000 ! geminal protons with same pseudoatom name
assign (resid  4 and name HB* and segid A) (resid  4 and name HG* and segid A) 2.900 1.100 1.100
assign (resid  4 and name HB* and segid B) (resid  4 and name HG* and segid B) 2.900 1.100 1.100
assign (resid  4 and name HG* and segid A) (resid  4 and name HB* and segid A) 2.900 1.100 1.100
assign (resid  4 and name HG* and segid B) (resid  4 and name HB* and segid B) 2.900 1.100 1.100
assign (resid  4 and name HG* and segid A) (resid  4 and name HB* and segid A) 2.900 1.100 1.100
assign (resid  4 and name HG* and segid B) (resid  4 and name HB* and segid B) 2.900 1.100 1.100
! assign (resid   4 and name HB*) (resid   4 and name HB*)  2.900 1.800 4.000 ! geminal protons with same pseudoatom name
assign (resid  4 and name HB* and segid A) (resid  4 and name HG* and segid A) 2.300 0.500 0.500
assign (resid  4 and name HB* and segid B) (resid  4 and name HG* and segid B) 2.300 0.500 0.500
assign (resid  4 and name HB* and segid A) (resid  4 and name HG* and segid A) 2.900 1.100 1.100
assign (resid  4 and name HB* and segid B) (resid  4 and name HG* and segid B) 2.900 1.100 1.100
assign (resid  4 and name HB* and segid A) (resid  4 and name HG* and segid A) 2.900 1.100 1.100
assign (resid  4 and name HB* and segid B) (resid  4 and name HG* and segid B) 2.900 1.100 1.100
! assign (resid   4 and name HB*) (resid   4 and name HB*)  2.900 1.800 4.000 ! geminal protons with same pseudoatom name
assign (resid  4 and name HN and segid A) (resid  4 and name HG* and segid A) 2.300 0.500 0.500
assign (resid  4 and name HN and segid B) (resid  4 and name HG* and segid B) 2.300 0.500 0.500
assign (resid  4 and name HN and segid A) (resid  4 and name HB* and segid A) 2.900 1.100 1.100
assign (resid  4 and name HN and segid B) (resid  4 and name HB* and segid B) 2.900 1.100 1.100
assign (resid  4 and name HN and segid A) (resid  4 and name HB* and segid A) 2.900 1.100 1.100
assign (resid  4 and name HN and segid B) (resid  4 and name HB* and segid B) 2.900 1.100 1.100
assign (resid  4 and name HN and segid A) (resid  4 and name HG* and segid A) 2.300 0.500 0.500
assign (resid  4 and name HN and segid B) (resid  4 and name HG* and segid B) 2.300 0.500 0.500
 
! =========== Intraresidue contacts to residue 5 ============
! assign (resid   5 and name HN) (resid   5 and name HN)  2.900 1.800 4.000 ! geminal protons with same pseudoatom name
! assign (resid   5 and name HN) (resid   5 and name HN)  2.900 1.800 4.000 ! geminal protons with same pseudoatom name
assign (resid  5 and name HA and segid A) (resid  5 and name HN and segid A) 2.900 1.100 1.100 ! incr to 4.0 after round 4. (16 viol avg 0.124)
assign (resid  5 and name HA and segid B) (resid  5 and name HN and segid B) 2.900 1.100 1.100 ! incr to 4.0 after round 4. (10 viol avg 0.127)
assign (resid  5 and name HA and segid A) (resid  5 and name HN and segid A) 2.900 1.100 1.100 ! incr to 4.0 after round 4. (16 viol avg 0.124)
assign (resid  5 and name HA and segid B) (resid  5 and name HN and segid B) 2.900 1.100 1.100 ! incr to 4.0 after round 4. (10 viol avg 0.127)
assign (resid  5 and name HA and segid A) (resid  5 and name HD** and segid A) 2.900 1.100 1.100
assign (resid  5 and name HA and segid B) (resid  5 and name HD** and segid B) 2.900 1.100 1.100
assign (resid  5 and name HA and segid A) (resid  5 and name HD** and segid A) 2.900 1.100 1.100
assign (resid  5 and name HA and segid B) (resid  5 and name HD** and segid B) 2.900 1.100 1.100
 
! =========== Intraresidue contacts to residue 6 ============
assign (resid  6 and name HN and segid A) (resid  6 and name HA and segid A) 2.900 1.100 1.100 ! incr to 4.0 after round 4. (30 viol avg 0.130)
assign (resid  6 and name HN and segid B) (resid  6 and name HA and segid B) 2.900 1.100 1.100 ! incr to 4.0 after round 4. (36 viol avg 0.128)
assign (resid  6 and name HA and segid A) (resid  6 and name HD** and segid A) 3.400 1.600 1.600
assign (resid  6 and name HA and segid B) (resid  6 and name HD** and segid B) 3.400 1.600 1.600
 
! =========== Intraresidue contacts to residue 7 ============
assign (resid  7 and name HN and segid A) (resid  7 and name HD2 and segid A) 2.300 0.500 0.500
assign (resid  7 and name HN and segid B) (resid  7 and name HD2 and segid B) 2.300 0.500 0.500
assign (resid  7 and name HD2 and segid A) (resid  7 and name HN and segid A) 2.300 0.500 0.500
assign (resid  7 and name HD2 and segid B) (resid  7 and name HN and segid B) 2.300 0.500 0.500
assign (resid  7 and name HB* and segid A) (resid  7 and name HN and segid A) 2.900 1.100 1.100 ! incr to 4.0 after round 6. (9 viol avg 0.153)
assign (resid  7 and name HB* and segid B) (resid  7 and name HN and segid B) 2.900 1.100 1.100 ! incr to 4.0 after round 6. (9 viol avg 0.156)
assign (resid  7 and name HD2 and segid A) (resid  7 and name HB* and segid A) 2.900 1.100 1.100 ! incr to 4.0 after round 4. (36 viol avg 0.231)
assign (resid  7 and name HD2 and segid B) (resid  7 and name HB* and segid B) 2.900 1.100 1.100 ! incr to 4.0 after round 3. (17 viol avg 0.331)
assign (resid  7 and name HB* and segid A) (resid  7 and name HE1 and segid A) 3.400 1.600 1.600 ! incr to 5.0 after round 3. (59 viol avg 0.383)
assign (resid  7 and name HB* and segid B) (resid  7 and name HE1 and segid B) 3.400 1.600 1.600 ! incr to 5.0 after round 3. (60 viol avg 0.376)
assign (resid  7 and name HB* and segid A) (resid  7 and name HD2 and segid A) 2.900 1.100 1.100
assign (resid  7 and name HB* and segid B) (resid  7 and name HD2 and segid B) 2.900 1.100 1.100
assign (resid  7 and name HE1 and segid A) (resid  7 and name HD2 and segid A) 3.400 1.600 1.600 ! incr to 5.0 after round 4. (60 viol avg 0.185)
assign (resid  7 and name HE1 and segid B) (resid  7 and name HD2 and segid B) 3.400 1.600 1.600 ! incr to 5.0 after round 4. (60 viol avg 0.183)
assign (resid  7 and name HA and segid A) (resid  7 and name HB* and segid A) 2.900 1.100 1.100
assign (resid  7 and name HA and segid B) (resid  7 and name HB* and segid B) 2.900 1.100 1.100
assign (resid  7 and name HN and segid A) (resid  7 and name HB* and segid A) 2.900 1.100 1.100
assign (resid  7 and name HN and segid B) (resid  7 and name HB* and segid B) 2.900 1.100 1.100
 
! =========== Intraresidue contacts to residue 8 ============
assign (resid  8 and name HB and segid A) (resid  8 and name HN and segid A) 2.900 1.100 1.100
assign (resid  8 and name HB and segid B) (resid  8 and name HN and segid B) 2.900 1.100 1.100
assign (resid  8 and name HA and segid A) (resid  8 and name HD1* and segid A) 2.900 1.100 1.100
assign (resid  8 and name HA and segid B) (resid  8 and name HD1* and segid B) 2.900 1.100 1.100
assign (resid  8 and name HA and segid A) (resid  8 and name HB and segid A) 2.900 1.100 1.100 ! incr to 4.0 after round 4. (29 viol avg 0.162)
assign (resid  8 and name HA and segid B) (resid  8 and name HB and segid B) 2.900 1.100 1.100 ! incr to 4.0 after round 4. (16 viol avg 0.163)
assign (resid  8 and name HB and segid A) (resid  8 and name HA and segid A) 2.900 1.100 1.100 ! incr to 4.0 after round 4. (29 viol avg 0.162)
assign (resid  8 and name HB and segid B) (resid  8 and name HA and segid B) 2.900 1.100 1.100 ! incr to 4.0 after round 4. (16 viol avg 0.163)
assign (resid  8 and name HN and segid A) (resid  8 and name HB and segid A) 2.900 1.100 1.100
assign (resid  8 and name HN and segid B) (resid  8 and name HB and segid B) 2.900 1.100 1.100
assign (resid  8 and name HN and segid A) (resid  8 and name HG1* and segid A) 2.900 1.100 1.100 ! incr to 4.0 after round 3. (18 viol avg 0.575)
assign (resid  8 and name HN and segid B) (resid  8 and name HG1* and segid B) 2.900 1.100 1.100 ! incr to 4.0 after round 2. (25 viol avg 0.808)
assign (resid  8 and name HA and segid A) (resid  8 and name HG1* and segid A) 2.900 1.100 1.100 ! incr to 4.0 after round 3. (11 viol avg 0.424)
assign (resid  8 and name HA and segid B) (resid  8 and name HG1* and segid B) 2.900 1.100 1.100 ! incr to 4.0 after round 3. (12 viol avg 0.499)
 
! =========== Intraresidue contacts to residue 9 ============
assign (resid  9 and name HA and segid A) (resid  9 and name HN and segid A) 2.900 1.100 1.100 ! incr to 4.0 after round 4. (10 viol avg 0.111)
assign (resid  9 and name HA and segid B) (resid  9 and name HN and segid B) 2.900 1.100 1.100 ! incr to 4.0 after round 6. (7 viol avg 0.082)
assign (resid  9 and name HA and segid A) (resid  9 and name HN and segid A) 2.900 1.100 1.100 ! incr to 4.0 after round 4. (10 viol avg 0.111)
assign (resid  9 and name HA and segid B) (resid  9 and name HN and segid B) 2.900 1.100 1.100 ! incr to 4.0 after round 6. (7 viol avg 0.082)
assign (resid  9 and name HN and segid A) (resid  9 and name HA and segid A) 2.900 1.100 1.100 ! incr to 4.0 after round 4. (10 viol avg 0.111)
assign (resid  9 and name HN and segid B) (resid  9 and name HA and segid B) 2.900 1.100 1.100 ! incr to 4.0 after round 6. (7 viol avg 0.082)
 
! =========== Intraresidue contacts to residue 10 ============
assign (resid 10 and name HA and segid A) (resid 10 and name HN and segid A) 2.900 1.100 1.100 ! incr to 4.0 after round 4. (34 viol avg 0.131)
assign (resid 10 and name HA and segid B) (resid 10 and name HN and segid B) 2.900 1.100 1.100 ! incr to 4.0 after round 4. (30 viol avg 0.136)
assign (resid 10 and name HN and segid A) (resid 10 and name HA and segid A) 2.900 1.100 1.100
assign (resid 10 and name HN and segid B) (resid 10 and name HA and segid B) 2.900 1.100 1.100
assign (resid 10 and name HB and segid A) (resid 10 and name HN and segid A) 2.900 1.100 1.100
assign (resid 10 and name HB and segid B) (resid 10 and name HN and segid B) 2.900 1.100 1.100
assign (resid 10 and name HA and segid A) (resid 10 and name HG** and segid A) 2.900 1.100 1.100
assign (resid 10 and name HA and segid B) (resid 10 and name HG** and segid B) 2.900 1.100 1.100
assign (resid 10 and name HA and segid A) (resid 10 and name HB and segid A) 2.900 1.100 1.100
assign (resid 10 and name HA and segid B) (resid 10 and name HB and segid B) 2.900 1.100 1.100
assign (resid 10 and name HB and segid A) (resid 10 and name HA and segid A) 2.900 1.100 1.100
assign (resid 10 and name HB and segid B) (resid 10 and name HA and segid B) 2.900 1.100 1.100
assign (resid 10 and name HG** and segid A) (resid 10 and name HA and segid A) 2.900 1.100 1.100
assign (resid 10 and name HG** and segid B) (resid 10 and name HA and segid B) 2.900 1.100 1.100
assign (resid 10 and name HN and segid A) (resid 10 and name HB and segid A) 2.900 1.100 1.100
assign (resid 10 and name HN and segid B) (resid 10 and name HB and segid B) 2.900 1.100 1.100
 
! =========== Intraresidue contacts to residue 11 ============
assign (resid 11 and name HB* and segid A) (resid 11 and name HD* and segid A) 2.900 1.100 1.100
assign (resid 11 and name HB* and segid B) (resid 11 and name HD* and segid B) 2.900 1.100 1.100
assign (resid 11 and name HD* and segid A) (resid 11 and name HB* and segid A) 2.900 1.100 1.100
assign (resid 11 and name HD* and segid B) (resid 11 and name HB* and segid B) 2.900 1.100 1.100
assign (resid 11 and name HA and segid A) (resid 11 and name HB* and segid A) 2.300 0.500 0.500
assign (resid 11 and name HA and segid B) (resid 11 and name HB* and segid B) 2.300 0.500 0.500
 
! =========== Intraresidue contacts to residue 12 ============
! assign (resid   12 and name HN) (resid   12 and name HN)  2.900 1.800 4.000 ! geminal protons with same pseudoatom name
! assign (resid   12 and name HN) (resid   12 and name HN)  2.900 1.800 4.000 ! geminal protons with same pseudoatom name
assign (resid 12 and name HA* and segid A) (resid 12 and name HN and segid A) 2.300 0.500 0.500
assign (resid 12 and name HA* and segid B) (resid 12 and name HN and segid B) 2.300 0.500 0.500
assign (resid 12 and name HA* and segid A) (resid 12 and name HN and segid A) 2.300 0.500 0.500
assign (resid 12 and name HA* and segid B) (resid 12 and name HN and segid B) 2.300 0.500 0.500
assign (resid 12 and name HA* and segid A) (resid 12 and name HN and segid A) 2.300 0.500 0.500
assign (resid 12 and name HA* and segid B) (resid 12 and name HN and segid B) 2.300 0.500 0.500
assign (resid 12 and name HA* and segid A) (resid 12 and name HN and segid A) 2.300 0.500 0.500
assign (resid 12 and name HA* and segid B) (resid 12 and name HN and segid B) 2.300 0.500 0.500
assign (resid 12 and name HN and segid A) (resid 12 and name HA* and segid A) 2.300 0.500 0.500
assign (resid 12 and name HN and segid B) (resid 12 and name HA* and segid B) 2.300 0.500 0.500
assign (resid 12 and name HN and segid A) (resid 12 and name HA* and segid A) 2.300 0.500 0.500
assign (resid 12 and name HN and segid B) (resid 12 and name HA* and segid B) 2.300 0.500 0.500
 
! =========== Intraresidue contacts to residue 13 ============
assign (resid 13 and name HA and segid A) (resid 13 and name HN and segid A) 2.900 1.100 1.100 ! incr to 4.0 after round 4. (30 viol avg 0.121)
assign (resid 13 and name HA and segid B) (resid 13 and name HN and segid B) 2.900 1.100 1.100 ! incr to 4.0 after round 4. (36 viol avg 0.122)
assign (resid 13 and name HG* and segid A) (resid 13 and name HN and segid A) 2.300 0.500 0.500
assign (resid 13 and name HG* and segid B) (resid 13 and name HN and segid B) 2.300 0.500 0.500
assign (resid 13 and name HG* and segid A) (resid 13 and name HN and segid A) 2.300 0.500 0.500
assign (resid 13 and name HG* and segid B) (resid 13 and name HN and segid B) 2.300 0.500 0.500
assign (resid 13 and name HB* and segid A) (resid 13 and name HN and segid A) 2.900 1.100 1.100
assign (resid 13 and name HB* and segid B) (resid 13 and name HN and segid B) 2.900 1.100 1.100
assign (resid 13 and name HB* and segid A) (resid 13 and name HN and segid A) 2.300 0.500 0.500
assign (resid 13 and name HB* and segid B) (resid 13 and name HN and segid B) 2.900 1.100 1.100 ! incr to 4.0 after round 8. (7 viol avg 0.079)
assign (resid 13 and name HN and segid A) (resid 13 and name HA and segid A) 2.900 1.100 1.100 ! incr to 4.0 after round 4. (30 viol avg 0.121)
assign (resid 13 and name HN and segid B) (resid 13 and name HA and segid B) 2.900 1.100 1.100 ! incr to 4.0 after round 4. (36 viol avg 0.122)
assign (resid 13 and name HA and segid A) (resid 13 and name HG* and segid A) 2.900 1.100 1.100
assign (resid 13 and name HA and segid B) (resid 13 and name HG* and segid B) 2.900 1.100 1.100
assign (resid 13 and name HA and segid A) (resid 13 and name HG* and segid A) 2.900 1.100 1.100 ! incr to 4.0 after round 3. (19 viol avg 0.419)
assign (resid 13 and name HA and segid B) (resid 13 and name HG* and segid B) 2.900 1.100 1.100 ! incr to 4.0 after round 3. (23 viol avg 0.415)
assign (resid 13 and name HA and segid A) (resid 13 and name HB* and segid A) 2.900 1.100 1.100
assign (resid 13 and name HA and segid B) (resid 13 and name HB* and segid B) 2.900 1.100 1.100
assign (resid 13 and name HA and segid A) (resid 13 and name HB* and segid A) 2.900 1.100 1.100
assign (resid 13 and name HA and segid B) (resid 13 and name HB* and segid B) 2.900 1.100 1.100
assign (resid 13 and name HG* and segid A) (resid 13 and name HB* and segid A) 2.900 1.100 1.100
assign (resid 13 and name HG* and segid B) (resid 13 and name HB* and segid B) 2.900 1.100 1.100
assign (resid 13 and name HG* and segid A) (resid 13 and name HB* and segid A) 2.900 1.100 1.100
assign (resid 13 and name HG* and segid B) (resid 13 and name HB* and segid B) 2.900 1.100 1.100
assign (resid 13 and name HG* and segid A) (resid 13 and name HB* and segid A) 2.300 0.500 0.500
assign (resid 13 and name HG* and segid B) (resid 13 and name HB* and segid B) 2.300 0.500 0.500
assign (resid 13 and name HG* and segid A) (resid 13 and name HB* and segid A) 2.900 1.100 1.100
assign (resid 13 and name HG* and segid B) (resid 13 and name HB* and segid B) 2.900 1.100 1.100
! assign (resid   13 and name HG*) (resid   13 and name HG*)  2.900 1.800 4.000 ! geminal protons with same pseudoatom name
! assign (resid   13 and name HG*) (resid   13 and name HG*)  2.900 1.800 4.000 ! geminal protons with same pseudoatom name
assign (resid 13 and name HB* and segid A) (resid 13 and name HG* and segid A) 2.900 1.100 1.100
assign (resid 13 and name HB* and segid B) (resid 13 and name HG* and segid B) 2.900 1.100 1.100
assign (resid 13 and name HB* and segid A) (resid 13 and name HG* and segid A) 2.900 1.100 1.100
assign (resid 13 and name HB* and segid B) (resid 13 and name HG* and segid B) 2.900 1.100 1.100
assign (resid 13 and name HB* and segid A) (resid 13 and name HG* and segid A) 2.300 0.500 0.500
assign (resid 13 and name HB* and segid B) (resid 13 and name HG* and segid B) 2.300 0.500 0.500
assign (resid 13 and name HG* and segid A) (resid 13 and name HA and segid A) 2.900 1.100 1.100
assign (resid 13 and name HG* and segid B) (resid 13 and name HA and segid B) 2.900 1.100 1.100
assign (resid 13 and name HG* and segid A) (resid 13 and name HA and segid A) 2.900 1.100 1.100
assign (resid 13 and name HG* and segid B) (resid 13 and name HA and segid B) 2.900 1.100 1.100
assign (resid 13 and name HB* and segid A) (resid 13 and name HA and segid A) 2.300 0.500 0.500
assign (resid 13 and name HB* and segid B) (resid 13 and name HA and segid B) 2.300 0.500 0.500
assign (resid 13 and name HB* and segid A) (resid 13 and name HA and segid A) 2.300 0.500 0.500
assign (resid 13 and name HB* and segid B) (resid 13 and name HA and segid B) 2.300 0.500 0.500
assign (resid 13 and name HN and segid A) (resid 13 and name HG* and segid A) 2.300 0.500 0.500
assign (resid 13 and name HN and segid B) (resid 13 and name HG* and segid B) 2.300 0.500 0.500
assign (resid 13 and name HN and segid A) (resid 13 and name HB* and segid A) 2.300 0.500 0.500
assign (resid 13 and name HN and segid B) (resid 13 and name HB* and segid B) 2.900 1.100 1.100 ! incr to 4.0 after round 8. (7 viol avg 0.079)
assign (resid 13 and name HN and segid A) (resid 13 and name HB* and segid A) 2.900 1.100 1.100
assign (resid 13 and name HN and segid B) (resid 13 and name HB* and segid B) 2.900 1.100 1.100
assign (resid 13 and name HN and segid A) (resid 13 and name HG* and segid A) 2.300 0.500 0.500
assign (resid 13 and name HN and segid B) (resid 13 and name HG* and segid B) 2.300 0.500 0.500
 
! =========== Intraresidue contacts to residue 14 ============
assign (resid 14 and name HA and segid A) (resid 14 and name HN and segid A) 2.900 1.100 1.100 ! incr to 4.0 after round 4. (25 viol avg 0.127)
assign (resid 14 and name HA and segid B) (resid 14 and name HN and segid B) 2.900 1.100 1.100 ! incr to 4.0 after round 4. (22 viol avg 0.124)
assign (resid 14 and name HB* and segid A) (resid 14 and name HN and segid A) 2.300 0.500 0.500
assign (resid 14 and name HB* and segid B) (resid 14 and name HN and segid B) 2.300 0.500 0.500
assign (resid 14 and name HA and segid A) (resid 14 and name HB* and segid A) 2.300 0.500 0.500
assign (resid 14 and name HA and segid B) (resid 14 and name HB* and segid B) 2.300 0.500 0.500
 
! =========== Intraresidue contacts to residue 15 ============
! assign (resid   15 and name HN) (resid   15 and name HN)  2.900 1.800 4.000 ! geminal protons with same pseudoatom name
! assign (resid   15 and name HN) (resid   15 and name HN)  2.900 1.800 4.000 ! geminal protons with same pseudoatom name
assign (resid 15 and name HA and segid A) (resid 15 and name HN and segid A) 2.900 1.100 1.100 ! incr to 4.0 after round 4. (20 viol avg 0.127)
assign (resid 15 and name HA and segid B) (resid 15 and name HN and segid B) 2.900 1.100 1.100 ! incr to 4.0 after round 4. (15 viol avg 0.132)
assign (resid 15 and name HA and segid A) (resid 15 and name HN and segid A) 2.900 1.100 1.100
assign (resid 15 and name HA and segid B) (resid 15 and name HN and segid B) 2.900 1.100 1.100
assign (resid 15 and name HA and segid A) (resid 15 and name HD** and segid A) 2.900 1.100 1.100
assign (resid 15 and name HA and segid B) (resid 15 and name HD** and segid B) 2.900 1.100 1.100
 
! =========== Intraresidue contacts to residue 16 ============
 
! =========== Intraresidue contacts to residue 17 ============
assign (resid 17 and name HB* and segid A) (resid 17 and name HD2* and segid A) 2.300 0.500 0.500
assign (resid 17 and name HB* and segid B) (resid 17 and name HD2* and segid B) 2.300 0.500 0.500
assign (resid 17 and name HB* and segid A) (resid 17 and name HD2* and segid A) 2.300 0.500 0.500
assign (resid 17 and name HB* and segid B) (resid 17 and name HD2* and segid B) 2.300 0.500 0.500
assign (resid 17 and name HB* and segid A) (resid 17 and name HD2* and segid A) 2.300 0.500 0.500
assign (resid 17 and name HB* and segid B) (resid 17 and name HD2* and segid B) 2.300 0.500 0.500
assign (resid 17 and name HB* and segid A) (resid 17 and name HD2* and segid A) 2.300 0.500 0.500
assign (resid 17 and name HB* and segid B) (resid 17 and name HD2* and segid B) 2.300 0.500 0.500
assign (resid 17 and name HB* and segid A) (resid 17 and name HN and segid A) 2.900 1.100 1.100
assign (resid 17 and name HB* and segid B) (resid 17 and name HN and segid B) 2.900 1.100 1.100
assign (resid 17 and name HB* and segid A) (resid 17 and name HN and segid A) 2.900 1.100 1.100
assign (resid 17 and name HB* and segid B) (resid 17 and name HN and segid B) 2.900 1.100 1.100
assign (resid 17 and name HD2* and segid A) (resid 17 and name HN and segid A) 2.900 1.100 1.100
assign (resid 17 and name HD2* and segid B) (resid 17 and name HN and segid B) 2.900 1.100 1.100
assign (resid 17 and name HD2* and segid A) (resid 17 and name HN and segid A) 2.300 0.500 0.500
assign (resid 17 and name HD2* and segid B) (resid 17 and name HN and segid B) 2.300 0.500 0.500
assign (resid 17 and name HA and segid A) (resid 17 and name HN and segid A) 2.900 1.100 1.100 ! incr to 4.0 after round 4. (25 viol avg 0.129)
assign (resid 17 and name HA and segid B) (resid 17 and name HN and segid B) 2.900 1.100 1.100 ! incr to 4.0 after round 4. (25 viol avg 0.129)
assign (resid 17 and name HA and segid A) (resid 17 and name HD2* and segid A) 2.900 1.100 1.100 ! incr to 4.0 after round 2. (21 viol avg 0.729)
assign (resid 17 and name HA and segid B) (resid 17 and name HD2* and segid B) 2.900 1.100 1.100 ! incr to 4.0 after round 3. (16 viol avg 0.441)
assign (resid 17 and name HN and segid A) (resid 17 and name HD2* and segid A) 2.300 0.500 0.500
assign (resid 17 and name HN and segid B) (resid 17 and name HD2* and segid B) 2.300 0.500 0.500
! assign (resid   17 and name HD2*) (resid   17 and name HD2*)  3.400 1.800 5.000 ! geminal protons with same pseudoatom name
assign (resid 17 and name HD2* and segid A) (resid 17 and name HB* and segid A) 2.300 0.500 0.500
assign (resid 17 and name HD2* and segid B) (resid 17 and name HB* and segid B) 2.300 0.500 0.500
assign (resid 17 and name HD2* and segid A) (resid 17 and name HB* and segid A) 2.300 0.500 0.500
assign (resid 17 and name HD2* and segid B) (resid 17 and name HB* and segid B) 2.300 0.500 0.500
assign (resid 17 and name HA and segid A) (resid 17 and name HB* and segid A) 2.300 0.500 0.500
assign (resid 17 and name HA and segid B) (resid 17 and name HB* and segid B) 2.300 0.500 0.500
assign (resid 17 and name HA and segid A) (resid 17 and name HB* and segid A) 2.300 0.500 0.500
assign (resid 17 and name HA and segid B) (resid 17 and name HB* and segid B) 2.300 0.500 0.500
assign (resid 17 and name HD2* and segid A) (resid 17 and name HB* and segid A) 2.900 1.100 1.100
assign (resid 17 and name HD2* and segid B) (resid 17 and name HB* and segid B) 2.900 1.100 1.100
assign (resid 17 and name HD2* and segid A) (resid 17 and name HB* and segid A) 2.300 0.500 0.500
assign (resid 17 and name HD2* and segid B) (resid 17 and name HB* and segid B) 2.300 0.500 0.500
assign (resid 17 and name HN and segid A) (resid 17 and name HB* and segid A) 2.900 1.100 1.100
assign (resid 17 and name HN and segid B) (resid 17 and name HB* and segid B) 2.900 1.100 1.100
assign (resid 17 and name HN and segid A) (resid 17 and name HB* and segid A) 2.900 1.100 1.100
assign (resid 17 and name HN and segid B) (resid 17 and name HB* and segid B) 2.900 1.100 1.100
 
! =========== Intraresidue contacts to residue 18 ============
assign (resid 18 and name HA and segid A) (resid 18 and name HN and segid A) 2.900 1.100 1.100 ! incr to 4.0 after round 4. (25 viol avg 0.127)
assign (resid 18 and name HA and segid B) (resid 18 and name HN and segid B) 2.900 1.100 1.100 ! incr to 4.0 after round 4. (25 viol avg 0.131)
assign (resid 18 and name HA and segid A) (resid 18 and name HB* and segid A) 2.300 0.500 0.500
assign (resid 18 and name HA and segid B) (resid 18 and name HB* and segid B) 2.300 0.500 0.500
assign (resid 18 and name HN and segid A) (resid 18 and name HB* and segid A) 2.300 0.500 0.500
assign (resid 18 and name HN and segid B) (resid 18 and name HB* and segid B) 2.300 0.500 0.500
assign (resid 18 and name HN and segid A) (resid 18 and name HB* and segid A) 2.300 0.500 0.500
assign (resid 18 and name HN and segid B) (resid 18 and name HB* and segid B) 2.300 0.500 0.500
 
! =========== Intraresidue contacts to residue 19 ============
! assign (resid   19 and name HN) (resid   19 and name HN)  2.900 1.800 4.000 ! geminal protons with same pseudoatom name
! assign (resid   19 and name HN) (resid   19 and name HN)  2.900 1.800 4.000 ! geminal protons with same pseudoatom name
assign (resid 19 and name HA and segid A) (resid 19 and name HN and segid A) 2.900 1.100 1.100 ! incr to 4.0 after round 4. (26 viol avg 0.116)
assign (resid 19 and name HA and segid B) (resid 19 and name HN and segid B) 2.900 1.100 1.100 ! incr to 4.0 after round 4. (20 viol avg 0.117)
assign (resid 19 and name HA and segid A) (resid 19 and name HN and segid A) 2.900 1.100 1.100 ! incr to 4.0 after round 4. (26 viol avg 0.116)
assign (resid 19 and name HA and segid B) (resid 19 and name HN and segid B) 2.900 1.100 1.100 ! incr to 4.0 after round 4. (20 viol avg 0.117)
assign (resid 19 and name HB* and segid A) (resid 19 and name HN and segid A) 2.900 1.100 1.100
assign (resid 19 and name HB* and segid B) (resid 19 and name HN and segid B) 2.900 1.100 1.100
assign (resid 19 and name HB* and segid A) (resid 19 and name HN and segid A) 2.900 1.100 1.100
assign (resid 19 and name HB* and segid B) (resid 19 and name HN and segid B) 2.900 1.100 1.100
assign (resid 19 and name HN and segid A) (resid 19 and name HA and segid A) 2.900 1.100 1.100 ! incr to 4.0 after round 4. (26 viol avg 0.116)
assign (resid 19 and name HN and segid B) (resid 19 and name HA and segid B) 2.900 1.100 1.100 ! incr to 4.0 after round 4. (20 viol avg 0.117)
assign (resid 19 and name HA and segid A) (resid 19 and name HB* and segid A) 2.900 1.100 1.100
assign (resid 19 and name HA and segid B) (resid 19 and name HB* and segid B) 2.900 1.100 1.100
assign (resid 19 and name HB* and segid A) (resid 19 and name HA and segid A) 2.900 1.100 1.100
assign (resid 19 and name HB* and segid B) (resid 19 and name HA and segid B) 2.900 1.100 1.100
 
! =========== Intraresidue contacts to residue 20 ============
assign (resid 20 and name HA and segid A) (resid 20 and name HN and segid A) 2.900 1.100 1.100
assign (resid 20 and name HA and segid B) (resid 20 and name HN and segid B) 2.900 1.100 1.100
assign (resid 20 and name HB and segid A) (resid 20 and name HN and segid A) 2.900 1.100 1.100
assign (resid 20 and name HB and segid B) (resid 20 and name HN and segid B) 2.900 1.100 1.100
assign (resid 20 and name HN and segid A) (resid 20 and name HA and segid A) 2.900 1.100 1.100
assign (resid 20 and name HN and segid B) (resid 20 and name HA and segid B) 2.900 1.100 1.100
assign (resid 20 and name HB and segid A) (resid 20 and name HA and segid A) 2.900 1.100 1.100
assign (resid 20 and name HB and segid B) (resid 20 and name HA and segid B) 2.900 1.100 1.100
assign (resid 20 and name HG** and segid A) (resid 20 and name HN and segid A) 2.900 1.100 1.100
assign (resid 20 and name HG** and segid B) (resid 20 and name HN and segid B) 2.900 1.100 1.100
assign (resid 20 and name HA and segid A) (resid 20 and name HB and segid A) 2.900 1.100 1.100
assign (resid 20 and name HA and segid B) (resid 20 and name HB and segid B) 2.900 1.100 1.100
assign (resid 20 and name HG** and segid A) (resid 20 and name HA and segid A) 2.900 1.100 1.100
assign (resid 20 and name HG** and segid B) (resid 20 and name HA and segid B) 2.900 1.100 1.100
assign (resid 20 and name HG** and segid A) (resid 20 and name HA and segid A) 2.900 1.100 1.100
assign (resid 20 and name HG** and segid B) (resid 20 and name HA and segid B) 2.900 1.100 1.100
assign (resid 20 and name HN and segid A) (resid 20 and name HB and segid A) 2.900 1.100 1.100
assign (resid 20 and name HN and segid B) (resid 20 and name HB and segid B) 2.900 1.100 1.100
 
! =========== Intraresidue contacts to residue 21 ============
assign (resid 21 and name HA and segid A) (resid 21 and name HN and segid A) 2.900 1.100 1.100 ! incr to 4.0 after round 4. (26 viol avg 0.113)
assign (resid 21 and name HA and segid B) (resid 21 and name HN and segid B) 2.900 1.100 1.100 ! incr to 4.0 after round 4. (20 viol avg 0.111)
assign (resid 21 and name HN and segid A) (resid 21 and name HA and segid A) 2.900 1.100 1.100 ! incr to 4.0 after round 4. (26 viol avg 0.113)
assign (resid 21 and name HN and segid B) (resid 21 and name HA and segid B) 2.900 1.100 1.100 ! incr to 4.0 after round 4. (20 viol avg 0.111)
assign (resid 21 and name HG2* and segid A) (resid 21 and name HN and segid A) 2.900 1.100 1.100
assign (resid 21 and name HG2* and segid B) (resid 21 and name HN and segid B) 2.900 1.100 1.100
assign (resid 21 and name HA and segid A) (resid 21 and name HG2* and segid A) 2.900 1.100 1.100
assign (resid 21 and name HA and segid B) (resid 21 and name HG2* and segid B) 2.900 1.100 1.100
assign (resid 21 and name HB and segid A) (resid 21 and name HG2* and segid A) 2.900 1.100 1.100
assign (resid 21 and name HB and segid B) (resid 21 and name HG2* and segid B) 2.900 1.100 1.100
assign (resid 21 and name HB and segid A) (resid 21 and name HA and segid A) 2.900 1.100 1.100 ! incr to 4.0 after round 4. (16 viol avg 0.176)
assign (resid 21 and name HB and segid B) (resid 21 and name HA and segid B) 2.900 1.100 1.100 ! incr to 4.0 after round 4. (16 viol avg 0.183)
assign (resid 21 and name HG2* and segid A) (resid 21 and name HA and segid A) 2.900 1.100 1.100
assign (resid 21 and name HG2* and segid B) (resid 21 and name HA and segid B) 2.900 1.100 1.100
assign (resid 21 and name HN and segid A) (resid 21 and name HG2* and segid A) 2.900 1.100 1.100 ! incr to 4.0 after round 2. (21 viol avg 0.869)
assign (resid 21 and name HN and segid B) (resid 21 and name HG2* and segid B) 2.900 1.100 1.100 ! incr to 4.0 after round 3. (17 viol avg 0.704)
 
! =========== Intraresidue contacts to residue 22 ============
assign (resid 22 and name HA and segid A) (resid 22 and name HN and segid A) 2.900 1.100 1.100 ! incr to 4.0 after round 4. (14 viol avg 0.114)
assign (resid 22 and name HA and segid B) (resid 22 and name HN and segid B) 2.900 1.100 1.100 ! incr to 4.0 after round 4. (13 viol avg 0.112)
assign (resid 22 and name HN and segid A) (resid 22 and name HA and segid A) 2.900 1.100 1.100 ! incr to 4.0 after round 4. (14 viol avg 0.114)
assign (resid 22 and name HN and segid B) (resid 22 and name HA and segid B) 2.900 1.100 1.100 ! incr to 4.0 after round 4. (13 viol avg 0.112)
assign (resid 22 and name HB and segid A) (resid 22 and name HN and segid A) 2.900 1.100 1.100
assign (resid 22 and name HB and segid B) (resid 22 and name HN and segid B) 2.900 1.100 1.100
assign (resid 22 and name HA and segid A) (resid 22 and name HB and segid A) 2.900 1.100 1.100
assign (resid 22 and name HA and segid B) (resid 22 and name HB and segid B) 2.900 1.100 1.100
assign (resid 22 and name HB and segid A) (resid 22 and name HA and segid A) 2.900 1.100 1.100 ! incr to 4.0 after round 4. (35 viol avg 0.188)
assign (resid 22 and name HB and segid B) (resid 22 and name HA and segid B) 2.900 1.100 1.100 ! incr to 4.0 after round 4. (28 viol avg 0.176)
assign (resid 22 and name HG** and segid A) (resid 22 and name HA and segid A) 2.900 1.100 1.100
assign (resid 22 and name HG** and segid B) (resid 22 and name HA and segid B) 2.900 1.100 1.100
assign (resid 22 and name HN and segid A) (resid 22 and name HB and segid A) 2.900 1.100 1.100
assign (resid 22 and name HN and segid B) (resid 22 and name HB and segid B) 2.900 1.100 1.100
 
! =========== Intraresidue contacts to residue 23 ============
assign (resid 23 and name HA and segid A) (resid 23 and name HN and segid A) 2.900 1.100 1.100
assign (resid 23 and name HA and segid B) (resid 23 and name HN and segid B) 2.900 1.100 1.100
assign (resid 23 and name HN and segid A) (resid 23 and name HA and segid A) 2.900 1.100 1.100 ! incr to 4.0 after round 4. (30 viol avg 0.125)
assign (resid 23 and name HN and segid B) (resid 23 and name HA and segid B) 2.900 1.100 1.100 ! incr to 4.0 after round 4. (30 viol avg 0.126)
assign (resid 23 and name HB and segid A) (resid 23 and name HN and segid A) 2.900 1.100 1.100
assign (resid 23 and name HB and segid B) (resid 23 and name HN and segid B) 2.900 1.100 1.100
assign (resid 23 and name HA and segid A) (resid 23 and name HG** and segid A) 2.900 1.100 1.100
assign (resid 23 and name HA and segid B) (resid 23 and name HG** and segid B) 2.900 1.100 1.100
assign (resid 23 and name HA and segid A) (resid 23 and name HG** and segid A) 2.900 1.100 1.100
assign (resid 23 and name HA and segid B) (resid 23 and name HG** and segid B) 2.900 1.100 1.100
assign (resid 23 and name HA and segid A) (resid 23 and name HB and segid A) 2.900 1.100 1.100
assign (resid 23 and name HA and segid B) (resid 23 and name HB and segid B) 2.900 1.100 1.100
assign (resid 23 and name HB and segid A) (resid 23 and name HA and segid A) 2.900 1.100 1.100
assign (resid 23 and name HB and segid B) (resid 23 and name HA and segid B) 2.900 1.100 1.100
assign (resid 23 and name HG** and segid A) (resid 23 and name HA and segid A) 2.900 1.100 1.100
assign (resid 23 and name HG** and segid B) (resid 23 and name HA and segid B) 2.900 1.100 1.100
assign (resid 23 and name HN and segid A) (resid 23 and name HB and segid A) 2.900 1.100 1.100
assign (resid 23 and name HN and segid B) (resid 23 and name HB and segid B) 2.900 1.100 1.100
 
! =========== Intraresidue contacts to residue 24 ============
! assign (resid   24 and name HN) (resid   24 and name HN)  2.900 1.800 4.000 ! geminal protons with same pseudoatom name
! assign (resid   24 and name HN) (resid   24 and name HN)  2.900 1.800 4.000 ! geminal protons with same pseudoatom name
assign (resid 24 and name HA and segid A) (resid 24 and name HN and segid A) 2.900 1.100 1.100 ! incr to 4.0 after round 4. (41 viol avg 0.125)
assign (resid 24 and name HA and segid B) (resid 24 and name HN and segid B) 2.900 1.100 1.100 ! incr to 4.0 after round 4. (45 viol avg 0.123)
assign (resid 24 and name HA and segid A) (resid 24 and name HN and segid A) 2.900 1.100 1.100 ! incr to 4.0 after round 4. (41 viol avg 0.125)
assign (resid 24 and name HA and segid B) (resid 24 and name HN and segid B) 2.900 1.100 1.100 ! incr to 4.0 after round 4. (45 viol avg 0.123)
assign (resid 24 and name HA and segid A) (resid 24 and name HD** and segid A) 2.900 1.100 1.100
assign (resid 24 and name HA and segid B) (resid 24 and name HD** and segid B) 2.900 1.100 1.100
assign (resid 24 and name HA and segid A) (resid 24 and name HD** and segid A) 2.900 1.100 1.100
assign (resid 24 and name HA and segid B) (resid 24 and name HD** and segid B) 2.900 1.100 1.100
 
! =========== Intraresidue contacts to residue 25 ============
assign (resid 25 and name HA and segid A) (resid 25 and name HN and segid A) 2.900 1.100 1.100 ! incr to 4.0 after round 4. (25 viol avg 0.125)
assign (resid 25 and name HA and segid B) (resid 25 and name HN and segid B) 2.900 1.100 1.100 ! incr to 4.0 after round 4. (31 viol avg 0.122)
assign (resid 25 and name HN and segid A) (resid 25 and name HD* and segid A) 2.900 1.100 1.100 ! incr to 4.0 after round 3. (11 viol avg 0.449)
assign (resid 25 and name HN and segid B) (resid 25 and name HD* and segid B) 2.900 1.100 1.100 ! incr to 4.0 after round 3. (11 viol avg 0.378)
assign (resid 25 and name HD* and segid A) (resid 25 and name HN and segid A) 2.900 1.100 1.100 ! incr to 4.0 after round 3. (11 viol avg 0.449)
assign (resid 25 and name HD* and segid B) (resid 25 and name HN and segid B) 2.900 1.100 1.100 ! incr to 4.0 after round 3. (11 viol avg 0.378)
assign (resid 25 and name HB* and segid A) (resid 25 and name HN and segid A) 2.900 1.100 1.100
assign (resid 25 and name HB* and segid B) (resid 25 and name HN and segid B) 2.900 1.100 1.100
assign (resid 25 and name HB* and segid A) (resid 25 and name HD* and segid A) 2.900 1.100 1.100
assign (resid 25 and name HB* and segid B) (resid 25 and name HD* and segid B) 2.900 1.100 1.100
assign (resid 25 and name HD* and segid A) (resid 25 and name HB* and segid A) 2.900 1.100 1.100
assign (resid 25 and name HD* and segid B) (resid 25 and name HB* and segid B) 2.900 1.100 1.100
assign (resid 25 and name HE* and segid A) (resid 25 and name HB* and segid A) 2.900 1.100 1.100 ! incr to 4.0 after round 1. (60 viol avg 0.982)
assign (resid 25 and name HE* and segid B) (resid 25 and name HB* and segid B) 2.900 1.100 1.100 ! incr to 4.0 after round 1. (60 viol avg 0.978)
assign (resid 25 and name HA and segid A) (resid 25 and name HB* and segid A) 2.900 1.100 1.100
assign (resid 25 and name HA and segid B) (resid 25 and name HB* and segid B) 2.900 1.100 1.100
assign (resid 25 and name HB* and segid A) (resid 25 and name HE* and segid A) 2.900 1.100 1.100 ! incr to 4.0 after round 1. (60 viol avg 0.982)
assign (resid 25 and name HB* and segid B) (resid 25 and name HE* and segid B) 2.900 1.100 1.100 ! incr to 4.0 after round 1. (60 viol avg 0.978)
assign (resid 25 and name HN and segid A) (resid 25 and name HB* and segid A) 2.900 1.100 1.100
assign (resid 25 and name HN and segid B) (resid 25 and name HB* and segid B) 2.900 1.100 1.100
 
! =========== Intraresidue contacts to residue 26 ============
assign (resid 26 and name HA and segid A) (resid 26 and name HN and segid A) 2.900 1.100 1.100 ! incr to 4.0 after round 4. (10 viol avg 0.113)
assign (resid 26 and name HA and segid B) (resid 26 and name HN and segid B) 2.900 1.100 1.100 ! incr to 4.0 after round 4. (13 viol avg 0.121)
assign (resid 26 and name HN and segid A) (resid 26 and name HA and segid A) 2.900 1.100 1.100 ! incr to 4.0 after round 4. (10 viol avg 0.113)
assign (resid 26 and name HN and segid B) (resid 26 and name HA and segid B) 2.900 1.100 1.100 ! incr to 4.0 after round 4. (13 viol avg 0.121)
assign (resid 26 and name HA and segid A) (resid 26 and name HE* and segid A) 2.300 0.500 0.500
assign (resid 26 and name HA and segid B) (resid 26 and name HE* and segid B) 2.300 0.500 0.500
assign (resid 26 and name HB* and segid A) (resid 26 and name HA and segid A) 2.300 0.500 0.500
assign (resid 26 and name HB* and segid B) (resid 26 and name HA and segid B) 2.300 0.500 0.500
assign (resid 26 and name HN and segid A) (resid 26 and name HB* and segid A) 2.900 1.100 1.100
assign (resid 26 and name HN and segid B) (resid 26 and name HB* and segid B) 2.900 1.100 1.100
 
! =========== Intraresidue contacts to residue 27 ============
assign (resid 27 and name HA and segid A) (resid 27 and name HN and segid A) 2.900 1.100 1.100
assign (resid 27 and name HA and segid B) (resid 27 and name HN and segid B) 2.900 1.100 1.100
assign (resid 27 and name HN and segid A) (resid 27 and name H2 and segid A) 2.900 1.100 1.100 ! incr to 4.0 after round 1. (46 viol avg 0.802)
assign (resid 27 and name HN and segid B) (resid 27 and name H2 and segid B) 3.400 1.600 1.600 ! incr to 5.0 after round 6. (10 viol avg 0.087)
assign (resid 27 and name HN and segid A) (resid 27 and name H1 and segid A) 2.900 1.100 1.100 ! incr to 4.0 after round 3. (10 viol avg 0.343)
assign (resid 27 and name HN and segid B) (resid 27 and name H1 and segid B) 2.900 1.100 1.100 ! incr to 4.0 after round 6. (9 viol avg 0.080)
assign (resid 27 and name H1 and segid A) (resid 27 and name HN and segid A) 2.900 1.100 1.100 ! incr to 4.0 after round 3. (10 viol avg 0.343)
assign (resid 27 and name H1 and segid B) (resid 27 and name HN and segid B) 2.900 1.100 1.100 ! incr to 4.0 after round 6. (9 viol avg 0.080)
assign (resid 27 and name H2 and segid A) (resid 27 and name HN and segid A) 2.900 1.100 1.100
assign (resid 27 and name H2 and segid B) (resid 27 and name HN and segid B) 3.400 1.600 1.600 ! incr to 5.0 after round 6. (10 viol avg 0.087)
assign (resid 27 and name HA and segid A) (resid 27 and name H1 and segid A) 2.900 1.100 1.100 ! incr to 4.0 after round 2. (57 viol avg 0.616)
assign (resid 27 and name HA and segid B) (resid 27 and name H1 and segid B) 2.900 1.100 1.100 ! incr to 4.0 after round 2. (55 viol avg 0.615)
assign (resid 27 and name HA and segid A) (resid 27 and name H2 and segid A) 3.400 1.600 1.600 ! incr to 5.0 after round 5. (41 viol avg 0.084)
assign (resid 27 and name HA and segid B) (resid 27 and name H2 and segid B) 3.400 1.600 1.600 ! incr to 5.0 after round 5. (55 viol avg 0.066)
assign (resid 27 and name HG* and segid A) (resid 27 and name HN and segid A) 2.900 1.100 1.100
assign (resid 27 and name HG* and segid B) (resid 27 and name HN and segid B) 2.900 1.100 1.100
assign (resid 27 and name HB* and segid A) (resid 27 and name H1 and segid A) 2.300 0.500 0.500
assign (resid 27 and name HB* and segid B) (resid 27 and name H1 and segid B) 2.900 1.100 1.100 ! incr to 4.0 after round 6. (9 viol avg 0.083)
assign (resid 27 and name HB* and segid A) (resid 27 and name H1 and segid A) 2.300 0.500 0.500
assign (resid 27 and name HB* and segid B) (resid 27 and name H1 and segid B) 2.900 1.100 1.100 ! incr to 4.0 after round 6. (9 viol avg 0.083)
assign (resid 27 and name HB* and segid A) (resid 27 and name H2 and segid A) 2.900 1.100 1.100 ! incr to 4.0 after round 3. (10 viol avg 0.309)
assign (resid 27 and name HB* and segid B) (resid 27 and name H2 and segid B) 2.900 1.100 1.100 ! incr to 4.0 after round 3. (13 viol avg 0.273)
assign (resid 27 and name HB* and segid A) (resid 27 and name H2 and segid A) 2.900 1.100 1.100 ! incr to 4.0 after round 3. (10 viol avg 0.309)
assign (resid 27 and name HB* and segid B) (resid 27 and name H2 and segid B) 2.900 1.100 1.100 ! incr to 4.0 after round 3. (13 viol avg 0.273)
assign (resid 27 and name HN and segid A) (resid 27 and name HA and segid A) 2.900 1.100 1.100 ! incr to 4.0 after round 4. (25 viol avg 0.130)
assign (resid 27 and name HN and segid B) (resid 27 and name HA and segid B) 2.900 1.100 1.100 ! incr to 4.0 after round 4. (22 viol avg 0.132)
assign (resid 27 and name HA and segid A) (resid 27 and name HG* and segid A) 2.900 1.100 1.100
assign (resid 27 and name HA and segid B) (resid 27 and name HG* and segid B) 2.900 1.100 1.100
assign (resid 27 and name HN and segid A) (resid 27 and name HE* and segid A) 3.400 1.600 1.600 ! incr to 5.0 after round 4. (16 viol avg 0.263)
assign (resid 27 and name HN and segid B) (resid 27 and name HE* and segid B) 3.900 2.100 2.100 ! incr to 6.0 after round 7. (7 viol avg 0.113)
 
! --------------------------------------------------------------------------
! i +/- 1 contacts
 
! =========== i+1 contacts to residue 1 ============
assign ((resid  1 and name HD2 and segid A) OR (resid  1 and name HD2 and segid B))
       ((resid  2 and name HG2* and segid A) OR (resid  2 and name HG2* and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 3. (18 viol avg 0.436)
assign ((resid  1 and name HD2 and segid A) OR (resid  1 and name HD2 and segid B))
       ((resid  2 and name HD1* and segid A) OR (resid  2 and name HD1* and segid B))
        2.300 0.500 0.500
 
! =========== i+1 contacts to residue 2 ============
assign ((resid  3 and name HN and segid A) OR (resid  3 and name HN and segid B))
       ((resid  2 and name HB and segid A) OR (resid  2 and name HB and segid B))
        2.300 0.500 0.500
assign ((resid  3 and name HN and segid A) OR (resid  3 and name HN and segid B))
       ((resid  2 and name HA and segid A) OR (resid  2 and name HA and segid B))
        2.300 0.500 0.500
assign ((resid  2 and name HA and segid A) OR (resid  2 and name HA and segid B))
       ((resid  3 and name HN and segid A) OR (resid  3 and name HN and segid B))
        2.300 0.500 0.500
assign ((resid  2 and name HG1* and segid A) OR (resid  2 and name HG1* and segid B))
       ((resid  3 and name HN and segid A) OR (resid  3 and name HN and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 2. (21 viol avg 0.730)
assign ((resid  2 and name HB and segid A) OR (resid  2 and name HB and segid B))
       ((resid  3 and name HN and segid A) OR (resid  3 and name HN and segid B))
        2.300 0.500 0.500
 
! =========== i+1 contacts to residue 3 ============
assign ((resid  3 and name HB* and segid A) OR (resid  3 and name HB* and segid B))
       ((resid  4 and name HN and segid A) OR (resid  4 and name HN and segid B))
        2.300 0.500 0.500
assign ((resid  3 and name HB* and segid A) OR (resid  3 and name HB* and segid B))
       ((resid  4 and name HN and segid A) OR (resid  4 and name HN and segid B))
        2.300 0.500 0.500
assign ((resid  3 and name HN and segid A) OR (resid  3 and name HN and segid B))
       ((resid  4 and name HN and segid A) OR (resid  4 and name HN and segid B))
        2.300 0.500 0.500
assign ((resid  4 and name HN and segid A) OR (resid  4 and name HN and segid B))
       ((resid  3 and name HN and segid A) OR (resid  3 and name HN and segid B))
        2.300 0.500 0.500
assign ((resid  4 and name HA and segid A) OR (resid  4 and name HA and segid B))
       ((resid  3 and name HN and segid A) OR (resid  3 and name HN and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 4. (27 viol avg 0.182)
assign ((resid  3 and name HA and segid A) OR (resid  3 and name HA and segid B))
       ((resid  4 and name HN and segid A) OR (resid  4 and name HN and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 4. (11 viol avg 0.185)
assign ((resid  4 and name HB* and segid A) OR (resid  4 and name HB* and segid B))
       ((resid  3 and name HN and segid A) OR (resid  3 and name HN and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 4. (13 viol avg 0.184)
assign ((resid  4 and name HG* and segid A) OR (resid  4 and name HG* and segid B))
       ((resid  3 and name HN and segid A) OR (resid  3 and name HN and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (10 viol avg 0.363)
assign ((resid  4 and name HG* and segid A) OR (resid  4 and name HG* and segid B))
       ((resid  3 and name HN and segid A) OR (resid  3 and name HN and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (10 viol avg 0.363)
assign ((resid  4 and name HN and segid A) OR (resid  4 and name HN and segid B))
       ((resid  3 and name HB* and segid A) OR (resid  3 and name HB* and segid B))
        2.300 0.500 0.500
assign ((resid  4 and name HN and segid A) OR (resid  4 and name HN and segid B))
       ((resid  3 and name HB* and segid A) OR (resid  3 and name HB* and segid B))
        2.300 0.500 0.500
 
! =========== i+1 contacts to residue 4 ============
assign ((resid  4 and name HN and segid A) OR (resid  4 and name HN and segid B))
       ((resid  5 and name HN and segid A) OR (resid  5 and name HN and segid B))
        2.300 0.500 0.500
assign ((resid  4 and name HN and segid A) OR (resid  4 and name HN and segid B))
       ((resid  5 and name HN and segid A) OR (resid  5 and name HN and segid B))
        2.300 0.500 0.500
assign ((resid  5 and name HN and segid A) OR (resid  5 and name HN and segid B))
       ((resid  4 and name HN and segid A) OR (resid  4 and name HN and segid B))
        2.300 0.500 0.500
assign ((resid  4 and name HA and segid A) OR (resid  4 and name HA and segid B))
       ((resid  5 and name HN and segid A) OR (resid  5 and name HN and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 4. (34 viol avg 0.175)
assign ((resid  4 and name HA and segid A) OR (resid  4 and name HA and segid B))
       ((resid  5 and name HN and segid A) OR (resid  5 and name HN and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 4. (34 viol avg 0.175)
assign ((resid  4 and name HB* and segid A) OR (resid  4 and name HB* and segid B))
       ((resid  5 and name HN and segid A) OR (resid  5 and name HN and segid B))
        2.300 0.500 0.500
assign ((resid  4 and name HB* and segid A) OR (resid  4 and name HB* and segid B))
       ((resid  5 and name HN and segid A) OR (resid  5 and name HN and segid B))
        2.300 0.500 0.500
assign ((resid  4 and name HB* and segid A) OR (resid  4 and name HB* and segid B))
       ((resid  5 and name HN and segid A) OR (resid  5 and name HN and segid B))
        2.300 0.500 0.500
assign ((resid  4 and name HB* and segid A) OR (resid  4 and name HB* and segid B))
       ((resid  5 and name HN and segid A) OR (resid  5 and name HN and segid B))
        2.900 1.100 1.100
assign ((resid  4 and name HG* and segid A) OR (resid  4 and name HG* and segid B))
       ((resid  5 and name HN and segid A) OR (resid  5 and name HN and segid B))
        2.300 0.500 0.500
assign ((resid  4 and name HG* and segid A) OR (resid  4 and name HG* and segid B))
       ((resid  5 and name HN and segid A) OR (resid  5 and name HN and segid B))
        2.300 0.500 0.500
assign ((resid  4 and name HG* and segid A) OR (resid  4 and name HG* and segid B))
       ((resid  5 and name HN and segid A) OR (resid  5 and name HN and segid B))
        2.300 0.500 0.500
assign ((resid  5 and name HN and segid A) OR (resid  5 and name HN and segid B))
       ((resid  4 and name HG* and segid A) OR (resid  4 and name HG* and segid B))
        2.300 0.500 0.500
assign ((resid  5 and name HN and segid A) OR (resid  5 and name HN and segid B))
       ((resid  4 and name HG* and segid A) OR (resid  4 and name HG* and segid B))
        2.300 0.500 0.500
assign ((resid  5 and name HN and segid A) OR (resid  5 and name HN and segid B))
       ((resid  4 and name HB* and segid A) OR (resid  4 and name HB* and segid B))
        2.300 0.500 0.500
 
! =========== i+1 contacts to residue 5 ============
 
! =========== i+1 contacts to residue 6 ============
assign ((resid  7 and name HN and segid A) OR (resid  7 and name HN and segid B))
       ((resid  6 and name HA and segid A) OR (resid  6 and name HA and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 4. (29 viol avg 0.231)
 
! =========== i+1 contacts to residue 7 ============
assign ((resid  7 and name HB* and segid A) OR (resid  7 and name HB* and segid B))
       ((resid  8 and name HN and segid A) OR (resid  8 and name HN and segid B))
        2.300 0.500 0.500
assign ((resid  8 and name HA and segid A) OR (resid  8 and name HA and segid B))
       ((resid  7 and name HD2 and segid A) OR (resid  7 and name HD2 and segid B))
        3.900 2.100 2.100 ! still violating at 6.0 after round 9. (13 viol avg 0.143)
assign ((resid  8 and name HN and segid A) OR (resid  8 and name HN and segid B))
       ((resid  7 and name HD2 and segid A) OR (resid  7 and name HD2 and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 4. (17 viol avg 0.215)
assign ((resid  8 and name HN and segid A) OR (resid  8 and name HN and segid B))
       ((resid  7 and name HB* and segid A) OR (resid  7 and name HB* and segid B))
        2.900 1.100 1.100
 
! =========== i+1 contacts to residue 8 ============
assign ((resid  8 and name HA and segid A) OR (resid  8 and name HA and segid B))
       ((resid  9 and name HN and segid A) OR (resid  9 and name HN and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 4. (21 viol avg 0.153)
assign ((resid  8 and name HA and segid A) OR (resid  8 and name HA and segid B))
       ((resid  9 and name HN and segid A) OR (resid  9 and name HN and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 4. (21 viol avg 0.153)
assign ((resid  9 and name HN and segid A) OR (resid  9 and name HN and segid B))
       ((resid  8 and name HA and segid A) OR (resid  8 and name HA and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 4. (21 viol avg 0.153)
assign ((resid  9 and name HN and segid A) OR (resid  9 and name HN and segid B))
       ((resid  8 and name HB and segid A) OR (resid  8 and name HB and segid B))
        2.900 1.100 1.100
 
! =========== i+1 contacts to residue 9 ============
assign ((resid  9 and name HA and segid A) OR (resid  9 and name HA and segid B))
       ((resid 10 and name HG** and segid A) OR (resid 10 and name HG** and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 9. (5 viol avg 0.074)
 
! =========== i+1 contacts to residue 10 ============
assign ((resid 11 and name HB* and segid A) OR (resid 11 and name HB* and segid B))
       ((resid 10 and name HN and segid A) OR (resid 10 and name HN and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 4. (18 viol avg 0.218)
assign ((resid 11 and name HA and segid A) OR (resid 11 and name HA and segid B))
       ((resid 10 and name HN and segid A) OR (resid 10 and name HN and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 3. (21 viol avg 0.436)
assign ((resid 10 and name HA and segid A) OR (resid 10 and name HA and segid B))
       ((resid 11 and name HD* and segid A) OR (resid 11 and name HD* and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 4. (11 viol avg 0.157)
assign ((resid 11 and name HD* and segid A) OR (resid 11 and name HD* and segid B))
       ((resid 10 and name HG** and segid A) OR (resid 10 and name HG** and segid B))
        2.300 0.500 0.500
assign ((resid 11 and name HB* and segid A) OR (resid 11 and name HB* and segid B))
       ((resid 10 and name HB and segid A) OR (resid 10 and name HB and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 1. (34 viol avg 0.879)
assign ((resid 10 and name HA and segid A) OR (resid 10 and name HA and segid B))
       ((resid 11 and name HB* and segid A) OR (resid 11 and name HB* and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 3. (20 viol avg 0.383)
assign ((resid 10 and name HG** and segid A) OR (resid 10 and name HG** and segid B))
       ((resid 11 and name HB* and segid A) OR (resid 11 and name HB* and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (21 viol avg 0.478)
 
! =========== i+1 contacts to residue 11 ============
assign ((resid 12 and name HN and segid A) OR (resid 12 and name HN and segid B))
       ((resid 11 and name HD* and segid A) OR (resid 11 and name HD* and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 6. (7 viol avg 0.117)
assign ((resid 12 and name HN and segid A) OR (resid 12 and name HN and segid B))
       ((resid 11 and name HB* and segid A) OR (resid 11 and name HB* and segid B))
        2.300 0.500 0.500
assign ((resid 11 and name HB* and segid A) OR (resid 11 and name HB* and segid B))
       ((resid 12 and name HN and segid A) OR (resid 12 and name HN and segid B))
        2.300 0.500 0.500
assign ((resid 11 and name HB* and segid A) OR (resid 11 and name HB* and segid B))
       ((resid 12 and name HN and segid A) OR (resid 12 and name HN and segid B))
        2.300 0.500 0.500
assign ((resid 11 and name HA and segid A) OR (resid 11 and name HA and segid B))
       ((resid 12 and name HN and segid A) OR (resid 12 and name HN and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (10 viol avg 0.294)
assign ((resid 11 and name HA and segid A) OR (resid 11 and name HA and segid B))
       ((resid 12 and name HN and segid A) OR (resid 12 and name HN and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (10 viol avg 0.294)
assign ((resid 12 and name HA* and segid A) OR (resid 12 and name HA* and segid B))
       ((resid 11 and name HD* and segid A) OR (resid 11 and name HD* and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (14 viol avg 0.332)
assign ((resid 12 and name HA* and segid A) OR (resid 12 and name HA* and segid B))
       ((resid 11 and name HD* and segid A) OR (resid 11 and name HD* and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (14 viol avg 0.332)
assign ((resid 12 and name HN and segid A) OR (resid 12 and name HN and segid B))
       ((resid 11 and name HZ and segid A) OR (resid 11 and name HZ and segid B))
        3.900 2.100 2.100 ! incr to 6.0 after round 4. (18 viol avg 0.268)
assign ((resid 12 and name HA* and segid A) OR (resid 12 and name HA* and segid B))
       ((resid 11 and name HB* and segid A) OR (resid 11 and name HB* and segid B))
        2.900 1.100 1.100
assign ((resid 12 and name HA* and segid A) OR (resid 12 and name HA* and segid B))
       ((resid 11 and name HB* and segid A) OR (resid 11 and name HB* and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 2. (30 viol avg 0.662)
 
! =========== i+1 contacts to residue 12 ============
assign ((resid 12 and name HN and segid A) OR (resid 12 and name HN and segid B))
       ((resid 13 and name HN and segid A) OR (resid 13 and name HN and segid B))
        2.300 0.500 0.500
assign ((resid 13 and name HN and segid A) OR (resid 13 and name HN and segid B))
       ((resid 12 and name HN and segid A) OR (resid 12 and name HN and segid B))
        2.300 0.500 0.500
assign ((resid 13 and name HN and segid A) OR (resid 13 and name HN and segid B))
       ((resid 12 and name HN and segid A) OR (resid 12 and name HN and segid B))
        2.300 0.500 0.500
assign ((resid 12 and name HA* and segid A) OR (resid 12 and name HA* and segid B))
       ((resid 13 and name HN and segid A) OR (resid 13 and name HN and segid B))
        3.400 1.600 1.600
assign ((resid 13 and name HN and segid A) OR (resid 13 and name HN and segid B))
       ((resid 12 and name HA* and segid A) OR (resid 12 and name HA* and segid B))
        2.300 0.500 0.500
assign ((resid 13 and name HN and segid A) OR (resid 13 and name HN and segid B))
       ((resid 12 and name HA* and segid A) OR (resid 12 and name HA* and segid B))
        2.300 0.500 0.500
assign ((resid 12 and name HN and segid A) OR (resid 12 and name HN and segid B))
       ((resid 13 and name HB* and segid A) OR (resid 13 and name HB* and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 6. (13 viol avg 0.095)
 
! =========== i+1 contacts to residue 13 ============
assign ((resid 13 and name HN and segid A) OR (resid 13 and name HN and segid B))
       ((resid 14 and name HN and segid A) OR (resid 14 and name HN and segid B))
        2.300 0.500 0.500
assign ((resid 14 and name HN and segid A) OR (resid 14 and name HN and segid B))
       ((resid 13 and name HN and segid A) OR (resid 13 and name HN and segid B))
        2.300 0.500 0.500
assign ((resid 13 and name HG* and segid A) OR (resid 13 and name HG* and segid B))
       ((resid 14 and name HN and segid A) OR (resid 14 and name HN and segid B))
        2.300 0.500 0.500
assign ((resid 13 and name HG* and segid A) OR (resid 13 and name HG* and segid B))
       ((resid 14 and name HN and segid A) OR (resid 14 and name HN and segid B))
        2.300 0.500 0.500
assign ((resid 14 and name HN and segid A) OR (resid 14 and name HN and segid B))
       ((resid 13 and name HG* and segid A) OR (resid 13 and name HG* and segid B))
        2.300 0.500 0.500
assign ((resid 14 and name HN and segid A) OR (resid 14 and name HN and segid B))
       ((resid 13 and name HG* and segid A) OR (resid 13 and name HG* and segid B))
        2.300 0.500 0.500
 
! =========== i+1 contacts to residue 14 ============
assign ((resid 14 and name HN and segid A) OR (resid 14 and name HN and segid B))
       ((resid 15 and name HN and segid A) OR (resid 15 and name HN and segid B))
        2.300 0.500 0.500
assign ((resid 14 and name HN and segid A) OR (resid 14 and name HN and segid B))
       ((resid 15 and name HN and segid A) OR (resid 15 and name HN and segid B))
        2.900 1.100 1.100
assign ((resid 14 and name HA and segid A) OR (resid 14 and name HA and segid B))
       ((resid 15 and name HN and segid A) OR (resid 15 and name HN and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 4. (22 viol avg 0.159)
assign ((resid 14 and name HA and segid A) OR (resid 14 and name HA and segid B))
       ((resid 15 and name HN and segid A) OR (resid 15 and name HN and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 4. (22 viol avg 0.159)
assign ((resid 15 and name HN and segid A) OR (resid 15 and name HN and segid B))
       ((resid 14 and name HB* and segid A) OR (resid 14 and name HB* and segid B))
        2.300 0.500 0.500
assign ((resid 14 and name HA and segid A) OR (resid 14 and name HA and segid B))
       ((resid 15 and name HD** and segid A) OR (resid 15 and name HD** and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 8. (7 viol avg 0.084)
 
! =========== i+1 contacts to residue 15 ============
 
! =========== i+1 contacts to residue 16 ============
assign ((resid 17 and name HD2* and segid A) OR (resid 17 and name HD2* and segid B))
       ((resid 16 and name HN and segid A) OR (resid 16 and name HN and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (17 viol avg 0.467)
assign ((resid 16 and name HA and segid A) OR (resid 16 and name HA and segid B))
       ((resid 17 and name HN and segid A) OR (resid 17 and name HN and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 4. (41 viol avg 0.220)
assign ((resid 17 and name HN and segid A) OR (resid 17 and name HN and segid B))
       ((resid 16 and name HN and segid A) OR (resid 16 and name HN and segid B))
        2.300 0.500 0.500
assign ((resid 16 and name HN and segid A) OR (resid 16 and name HN and segid B))
       ((resid 17 and name HB* and segid A) OR (resid 17 and name HB* and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (37 viol avg 0.391)
assign ((resid 16 and name HN and segid A) OR (resid 16 and name HN and segid B))
       ((resid 17 and name HB* and segid A) OR (resid 17 and name HB* and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (37 viol avg 0.391)
 
! =========== i+1 contacts to residue 17 ============
assign ((resid 17 and name HB* and segid A) OR (resid 17 and name HB* and segid B))
       ((resid 18 and name HN and segid A) OR (resid 18 and name HN and segid B))
        2.300 0.500 0.500
assign ((resid 17 and name HB* and segid A) OR (resid 17 and name HB* and segid B))
       ((resid 18 and name HN and segid A) OR (resid 18 and name HN and segid B))
        2.300 0.500 0.500
assign ((resid 18 and name HB* and segid A) OR (resid 18 and name HB* and segid B))
       ((resid 17 and name HN and segid A) OR (resid 17 and name HN and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 2. (21 viol avg 0.677)
assign ((resid 17 and name HD2* and segid A) OR (resid 17 and name HD2* and segid B))
       ((resid 18 and name HN and segid A) OR (resid 18 and name HN and segid B))
        2.300 0.500 0.500
assign ((resid 17 and name HD2* and segid A) OR (resid 17 and name HD2* and segid B))
       ((resid 18 and name HN and segid A) OR (resid 18 and name HN and segid B))
        2.300 0.500 0.500
assign ((resid 18 and name HN and segid A) OR (resid 18 and name HN and segid B))
       ((resid 17 and name HD2* and segid A) OR (resid 17 and name HD2* and segid B))
        2.300 0.500 0.500
assign ((resid 18 and name HA and segid A) OR (resid 18 and name HA and segid B))
       ((resid 17 and name HB* and segid A) OR (resid 17 and name HB* and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 1. (43 viol avg 0.709)
assign ((resid 18 and name HN and segid A) OR (resid 18 and name HN and segid B))
       ((resid 17 and name HB* and segid A) OR (resid 17 and name HB* and segid B))
        2.900 1.100 1.100
assign ((resid 18 and name HN and segid A) OR (resid 18 and name HN and segid B))
       ((resid 17 and name HB* and segid A) OR (resid 17 and name HB* and segid B))
        2.900 1.100 1.100
 
! =========== i+1 contacts to residue 18 ============
assign ((resid 18 and name HB* and segid A) OR (resid 18 and name HB* and segid B))
       ((resid 19 and name HN and segid A) OR (resid 19 and name HN and segid B))
        2.300 0.500 0.500
assign ((resid 18 and name HB* and segid A) OR (resid 18 and name HB* and segid B))
       ((resid 19 and name HN and segid A) OR (resid 19 and name HN and segid B))
        2.900 1.100 1.100
assign ((resid 18 and name HA and segid A) OR (resid 18 and name HA and segid B))
       ((resid 19 and name HN and segid A) OR (resid 19 and name HN and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 4. (32 viol avg 0.158)
assign ((resid 18 and name HA and segid A) OR (resid 18 and name HA and segid B))
       ((resid 19 and name HN and segid A) OR (resid 19 and name HN and segid B))
        2.900 1.100 1.100
assign ((resid 18 and name HN and segid A) OR (resid 18 and name HN and segid B))
       ((resid 19 and name HN and segid A) OR (resid 19 and name HN and segid B))
        2.300 0.500 0.500
assign ((resid 19 and name HN and segid A) OR (resid 19 and name HN and segid B))
       ((resid 18 and name HB* and segid A) OR (resid 18 and name HB* and segid B))
        2.300 0.500 0.500
assign ((resid 19 and name HN and segid A) OR (resid 19 and name HN and segid B))
       ((resid 18 and name HB* and segid A) OR (resid 18 and name HB* and segid B))
        2.900 1.100 1.100
 
! =========== i+1 contacts to residue 19 ============
assign ((resid 19 and name HA and segid A) OR (resid 19 and name HA and segid B))
       ((resid 20 and name HN and segid A) OR (resid 20 and name HN and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 4. (17 viol avg 0.204)
assign ((resid 20 and name HB and segid A) OR (resid 20 and name HB and segid B))
       ((resid 19 and name HN and segid A) OR (resid 19 and name HN and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 2. (22 viol avg 0.742)
assign ((resid 20 and name HB and segid A) OR (resid 20 and name HB and segid B))
       ((resid 19 and name HN and segid A) OR (resid 19 and name HN and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 2. (22 viol avg 0.742)
assign ((resid 19 and name HB* and segid A) OR (resid 19 and name HB* and segid B))
       ((resid 20 and name HN and segid A) OR (resid 20 and name HN and segid B))
        2.900 1.100 1.100
assign ((resid 20 and name HA and segid A) OR (resid 20 and name HA and segid B))
       ((resid 19 and name HB* and segid A) OR (resid 19 and name HB* and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (43 viol avg 0.441)
 
! =========== i+1 contacts to residue 20 ============
assign ((resid 20 and name HA and segid A) OR (resid 20 and name HA and segid B))
       ((resid 21 and name HN and segid A) OR (resid 21 and name HN and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 5. (44 viol avg 0.075)
assign ((resid 20 and name HN and segid A) OR (resid 20 and name HN and segid B))
       ((resid 21 and name HN and segid A) OR (resid 21 and name HN and segid B))
        2.900 1.100 1.100
assign ((resid 21 and name HN and segid A) OR (resid 21 and name HN and segid B))
       ((resid 20 and name HN and segid A) OR (resid 20 and name HN and segid B))
        2.900 1.100 1.100
assign ((resid 21 and name HN and segid A) OR (resid 21 and name HN and segid B))
       ((resid 20 and name HA and segid A) OR (resid 20 and name HA and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 5. (44 viol avg 0.075)
assign ((resid 20 and name HB and segid A) OR (resid 20 and name HB and segid B))
       ((resid 21 and name HN and segid A) OR (resid 21 and name HN and segid B))
        2.900 1.100 1.100
assign ((resid 20 and name HN and segid A) OR (resid 20 and name HN and segid B))
       ((resid 21 and name HA and segid A) OR (resid 21 and name HA and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 4. (23 viol avg 0.168)
assign ((resid 20 and name HA and segid A) OR (resid 20 and name HA and segid B))
       ((resid 21 and name HG2* and segid A) OR (resid 21 and name HG2* and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 4. (16 viol avg 0.143)
assign ((resid 21 and name HN and segid A) OR (resid 21 and name HN and segid B))
       ((resid 20 and name HB and segid A) OR (resid 20 and name HB and segid B))
        2.900 1.100 1.100
assign ((resid 20 and name HN and segid A) OR (resid 20 and name HN and segid B))
       ((resid 21 and name HG2* and segid A) OR (resid 21 and name HG2* and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (10 viol avg 0.342)
 
! =========== i+1 contacts to residue 21 ============
assign ((resid 22 and name HA and segid A) OR (resid 22 and name HA and segid B))
       ((resid 21 and name HN and segid A) OR (resid 21 and name HN and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 4. (39 viol avg 0.262)
assign ((resid 21 and name HN and segid A) OR (resid 21 and name HN and segid B))
       ((resid 22 and name HN and segid A) OR (resid 22 and name HN and segid B))
        2.900 1.100 1.100
assign ((resid 22 and name HN and segid A) OR (resid 22 and name HN and segid B))
       ((resid 21 and name HN and segid A) OR (resid 21 and name HN and segid B))
        2.900 1.100 1.100
assign ((resid 21 and name HG2* and segid A) OR (resid 21 and name HG2* and segid B))
       ((resid 22 and name HN and segid A) OR (resid 22 and name HN and segid B))
        2.300 0.500 0.500
assign ((resid 21 and name HB and segid A) OR (resid 21 and name HB and segid B))
       ((resid 22 and name HN and segid A) OR (resid 22 and name HN and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (19 viol avg 0.656)
assign ((resid 22 and name HA and segid A) OR (resid 22 and name HA and segid B))
       ((resid 21 and name HG2* and segid A) OR (resid 21 and name HG2* and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (15 viol avg 0.465)
assign ((resid 22 and name HN and segid A) OR (resid 22 and name HN and segid B))
       ((resid 21 and name HG2* and segid A) OR (resid 21 and name HG2* and segid B))
        2.300 0.500 0.500
 
! =========== i+1 contacts to residue 22 ============
assign ((resid 22 and name HA and segid A) OR (resid 22 and name HA and segid B))
       ((resid 23 and name HN and segid A) OR (resid 23 and name HN and segid B))
        2.900 1.100 1.100
assign ((resid 23 and name HN and segid A) OR (resid 23 and name HN and segid B))
       ((resid 22 and name HN and segid A) OR (resid 22 and name HN and segid B))
        2.900 1.100 1.100
assign ((resid 22 and name HN and segid A) OR (resid 22 and name HN and segid B))
       ((resid 23 and name HN and segid A) OR (resid 23 and name HN and segid B))
        2.900 1.100 1.100
assign ((resid 23 and name HN and segid A) OR (resid 23 and name HN and segid B))
       ((resid 22 and name HA and segid A) OR (resid 22 and name HA and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 4. (31 viol avg 0.217)
assign ((resid 22 and name HB and segid A) OR (resid 22 and name HB and segid B))
       ((resid 23 and name HN and segid A) OR (resid 23 and name HN and segid B))
        2.900 1.100 1.100
assign ((resid 22 and name HN and segid A) OR (resid 22 and name HN and segid B))
       ((resid 23 and name HA and segid A) OR (resid 23 and name HA and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 4. (33 viol avg 0.170)
assign ((resid 23 and name HA and segid A) OR (resid 23 and name HA and segid B))
       ((resid 22 and name HG** and segid A) OR (resid 22 and name HG** and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (24 viol avg 0.431)
assign ((resid 23 and name HA and segid A) OR (resid 23 and name HA and segid B))
       ((resid 22 and name HB and segid A) OR (resid 22 and name HB and segid B))
        2.900 1.100 1.100
assign ((resid 22 and name HB and segid A) OR (resid 22 and name HB and segid B))
       ((resid 23 and name HA and segid A) OR (resid 23 and name HA and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 1. (43 viol avg 1.011)
assign ((resid 23 and name HN and segid A) OR (resid 23 and name HN and segid B))
       ((resid 22 and name HB and segid A) OR (resid 22 and name HB and segid B))
        2.900 1.100 1.100
 
! =========== i+1 contacts to residue 23 ============
assign ((resid 24 and name HN and segid A) OR (resid 24 and name HN and segid B))
       ((resid 23 and name HN and segid A) OR (resid 23 and name HN and segid B))
        2.900 1.100 1.100
assign ((resid 23 and name HN and segid A) OR (resid 23 and name HN and segid B))
       ((resid 24 and name HN and segid A) OR (resid 24 and name HN and segid B))
        2.900 1.100 1.100
assign ((resid 24 and name HN and segid A) OR (resid 24 and name HN and segid B))
       ((resid 23 and name HA and segid A) OR (resid 23 and name HA and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 4. (14 viol avg 0.129)
assign ((resid 23 and name HN and segid A) OR (resid 23 and name HN and segid B))
       ((resid 24 and name HN and segid A) OR (resid 24 and name HN and segid B))
        2.900 1.100 1.100
assign ((resid 23 and name HB and segid A) OR (resid 23 and name HB and segid B))
       ((resid 24 and name HN and segid A) OR (resid 24 and name HN and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (17 viol avg 0.360)
assign ((resid 23 and name HB and segid A) OR (resid 23 and name HB and segid B))
       ((resid 24 and name HN and segid A) OR (resid 24 and name HN and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (17 viol avg 0.360)
assign ((resid 23 and name HA and segid A) OR (resid 23 and name HA and segid B))
       ((resid 24 and name HN and segid A) OR (resid 24 and name HN and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 4. (14 viol avg 0.129)
assign ((resid 23 and name HA and segid A) OR (resid 23 and name HA and segid B))
       ((resid 24 and name HN and segid A) OR (resid 24 and name HN and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 4. (14 viol avg 0.129)
assign ((resid 23 and name HA and segid A) OR (resid 23 and name HA and segid B))
       ((resid 24 and name HD** and segid A) OR (resid 24 and name HD** and segid B))
        3.900 2.100 2.100 ! incr to 6.0 after round 6. (7 viol avg 0.071)
assign ((resid 23 and name HA and segid A) OR (resid 23 and name HA and segid B))
       ((resid 24 and name HD** and segid A) OR (resid 24 and name HD** and segid B))
        3.900 2.100 2.100 ! incr to 6.0 after round 6. (7 viol avg 0.071)
assign ((resid 24 and name HN and segid A) OR (resid 24 and name HN and segid B))
       ((resid 23 and name HB and segid A) OR (resid 23 and name HB and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (17 viol avg 0.360)
 
! =========== i+1 contacts to residue 24 ============
assign ((resid 25 and name HA and segid A) OR (resid 25 and name HA and segid B))
       ((resid 24 and name HN and segid A) OR (resid 24 and name HN and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 4. (41 viol avg 0.174)
assign ((resid 24 and name HN and segid A) OR (resid 24 and name HN and segid B))
       ((resid 25 and name HN and segid A) OR (resid 25 and name HN and segid B))
        2.900 1.100 1.100
assign ((resid 25 and name HN and segid A) OR (resid 25 and name HN and segid B))
       ((resid 24 and name HN and segid A) OR (resid 24 and name HN and segid B))
        2.300 0.500 0.500
assign ((resid 25 and name HD* and segid A) OR (resid 25 and name HD* and segid B))
       ((resid 24 and name HN and segid A) OR (resid 24 and name HN and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (11 viol avg 0.350)
assign ((resid 25 and name HD* and segid A) OR (resid 25 and name HD* and segid B))
       ((resid 24 and name HN and segid A) OR (resid 24 and name HN and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (11 viol avg 0.350)
assign ((resid 25 and name HN and segid A) OR (resid 25 and name HN and segid B))
       ((resid 24 and name HN and segid A) OR (resid 24 and name HN and segid B))
        2.300 0.500 0.500
assign ((resid 25 and name HA and segid A) OR (resid 25 and name HA and segid B))
       ((resid 24 and name HN and segid A) OR (resid 24 and name HN and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 4. (41 viol avg 0.174)
assign ((resid 25 and name HB* and segid A) OR (resid 25 and name HB* and segid B))
       ((resid 24 and name HN and segid A) OR (resid 24 and name HN and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (40 viol avg 0.369)
assign ((resid 25 and name HB* and segid A) OR (resid 25 and name HB* and segid B))
       ((resid 24 and name HN and segid A) OR (resid 24 and name HN and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (40 viol avg 0.369)
assign ((resid 24 and name HN and segid A) OR (resid 24 and name HN and segid B))
       ((resid 25 and name HD* and segid A) OR (resid 25 and name HD* and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (11 viol avg 0.350)
assign ((resid 25 and name HE* and segid A) OR (resid 25 and name HE* and segid B))
       ((resid 24 and name HD** and segid A) OR (resid 24 and name HD** and segid B))
        2.300 0.500 0.500
assign ((resid 25 and name HE* and segid A) OR (resid 25 and name HE* and segid B))
       ((resid 24 and name HD** and segid A) OR (resid 24 and name HD** and segid B))
        2.300 0.500 0.500
assign ((resid 25 and name HD* and segid A) OR (resid 25 and name HD* and segid B))
       ((resid 24 and name HD** and segid A) OR (resid 24 and name HD** and segid B))
        2.300 0.500 0.500
assign ((resid 25 and name HD* and segid A) OR (resid 25 and name HD* and segid B))
       ((resid 24 and name HD** and segid A) OR (resid 24 and name HD** and segid B))
        2.300 0.500 0.500
assign ((resid 24 and name HN and segid A) OR (resid 24 and name HN and segid B))
       ((resid 25 and name HB* and segid A) OR (resid 25 and name HB* and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (40 viol avg 0.369)
 
! =========== i+1 contacts to residue 25 ============
assign ((resid 25 and name HA and segid A) OR (resid 25 and name HA and segid B))
       ((resid 26 and name HN and segid A) OR (resid 26 and name HN and segid B))
        2.900 1.100 1.100
assign ((resid 26 and name HN and segid A) OR (resid 26 and name HN and segid B))
       ((resid 25 and name HN and segid A) OR (resid 25 and name HN and segid B))
        2.900 1.100 1.100
assign ((resid 26 and name HN and segid A) OR (resid 26 and name HN and segid B))
       ((resid 25 and name HD* and segid A) OR (resid 25 and name HD* and segid B))
        2.300 0.500 0.500
assign ((resid 25 and name HD* and segid A) OR (resid 25 and name HD* and segid B))
       ((resid 26 and name HN and segid A) OR (resid 26 and name HN and segid B))
        2.300 0.500 0.500
assign ((resid 25 and name HB* and segid A) OR (resid 25 and name HB* and segid B))
       ((resid 26 and name HN and segid A) OR (resid 26 and name HN and segid B))
        2.900 1.100 1.100
assign ((resid 26 and name HB* and segid A) OR (resid 26 and name HB* and segid B))
       ((resid 25 and name HB* and segid A) OR (resid 25 and name HB* and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 2. (27 viol avg 0.840)
assign ((resid 26 and name HN and segid A) OR (resid 26 and name HN and segid B))
       ((resid 25 and name HB* and segid A) OR (resid 25 and name HB* and segid B))
        2.900 1.100 1.100
assign ((resid 25 and name HN and segid A) OR (resid 25 and name HN and segid B))
       ((resid 26 and name HG* and segid A) OR (resid 26 and name HG* and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 5. (11 viol avg 0.154)
 
! =========== i+1 contacts to residue 26 ============
assign ((resid 26 and name HA and segid A) OR (resid 26 and name HA and segid B))
       ((resid 27 and name HN and segid A) OR (resid 27 and name HN and segid B))
        2.900 1.100 1.100
assign ((resid 26 and name HG* and segid A) OR (resid 26 and name HG* and segid B))
       ((resid 27 and name HN and segid A) OR (resid 27 and name HN and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 1. (35 viol avg 0.779)
 
! =========== i+1 contacts to residue 27 ============
 
! --------------------------------------------------------------------------
! i +/- 2 contacts
 
! =========== i+2 contacts to residue 1 ============
assign ((resid  3 and name HN and segid A) OR (resid  3 and name HN and segid B))
       ((resid  1 and name HB* and segid A) OR (resid  1 and name HB* and segid B))
        2.300 0.500 0.500
assign ((resid  3 and name HN and segid A) OR (resid  3 and name HN and segid B))
       ((resid  1 and name HB* and segid A) OR (resid  1 and name HB* and segid B))
        2.300 0.500 0.500
assign ((resid  1 and name HB* and segid A) OR (resid  1 and name HB* and segid B))
       ((resid  3 and name HN and segid A) OR (resid  3 and name HN and segid B))
        2.300 0.500 0.500
assign ((resid  3 and name HA and segid A) OR (resid  3 and name HA and segid B))
       ((resid  1 and name HD2 and segid A) OR (resid  1 and name HD2 and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 3. (16 viol avg 0.360)
assign ((resid  3 and name HN and segid A) OR (resid  3 and name HN and segid B))
       ((resid  1 and name HD2 and segid A) OR (resid  1 and name HD2 and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 4. (16 viol avg 0.211)
assign ((resid  1 and name HB* and segid A) OR (resid  1 and name HB* and segid B))
       ((resid  3 and name HB* and segid A) OR (resid  3 and name HB* and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (10 viol avg 0.471)
 
! =========== i+2 contacts to residue 2 ============
assign ((resid  2 and name HB and segid A) OR (resid  2 and name HB and segid B))
       ((resid  4 and name HN and segid A) OR (resid  4 and name HN and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 2. (22 viol avg 0.843)
assign ((resid  2 and name HB and segid A) OR (resid  2 and name HB and segid B))
       ((resid  4 and name HG* and segid A) OR (resid  4 and name HG* and segid B))
        2.300 0.500 0.500
assign ((resid  2 and name HB and segid A) OR (resid  2 and name HB and segid B))
       ((resid  4 and name HG* and segid A) OR (resid  4 and name HG* and segid B))
        2.300 0.500 0.500
assign ((resid  4 and name HN and segid A) OR (resid  4 and name HN and segid B))
       ((resid  2 and name HD1* and segid A) OR (resid  2 and name HD1* and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 4. (11 viol avg 0.248)
 
! =========== i+2 contacts to residue 3 ============
assign ((resid  3 and name HN and segid A) OR (resid  3 and name HN and segid B))
       ((resid  5 and name HN and segid A) OR (resid  5 and name HN and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 4. (20 viol avg 0.143)
assign ((resid  3 and name HN and segid A) OR (resid  3 and name HN and segid B))
       ((resid  5 and name HN and segid A) OR (resid  5 and name HN and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 4. (20 viol avg 0.143)
assign ((resid  5 and name HN and segid A) OR (resid  5 and name HN and segid B))
       ((resid  3 and name HN and segid A) OR (resid  3 and name HN and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 4. (20 viol avg 0.143)
assign ((resid  3 and name HD2* and segid A) OR (resid  3 and name HD2* and segid B))
       ((resid  5 and name HD** and segid A) OR (resid  5 and name HD** and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 9. (5 viol avg 0.078)
 
! =========== i+2 contacts to residue 4 ============
assign ((resid  6 and name HN and segid A) OR (resid  6 and name HN and segid B))
       ((resid  4 and name HN and segid A) OR (resid  4 and name HN and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (20 viol avg 0.553)
 
! =========== i+2 contacts to residue 5 ============
 
! =========== i+2 contacts to residue 6 ============
 
! =========== i+2 contacts to residue 7 ============
assign ((resid  7 and name HB* and segid A) OR (resid  7 and name HB* and segid B))
       ((resid  9 and name HN and segid A) OR (resid  9 and name HN and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (24 viol avg 0.447)
 
! =========== i+2 contacts to residue 8 ============
 
! =========== i+2 contacts to residue 9 ============
 
! =========== i+2 contacts to residue 10 ============
assign ((resid 12 and name HN and segid A) OR (resid 12 and name HN and segid B))
       ((resid 10 and name HA and segid A) OR (resid 10 and name HA and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (30 viol avg 0.591)
 
! =========== i+2 contacts to residue 11 ============
assign ((resid 11 and name HB* and segid A) OR (resid 11 and name HB* and segid B))
       ((resid 13 and name HN and segid A) OR (resid 13 and name HN and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (11 viol avg 0.470)
assign ((resid 13 and name HN and segid A) OR (resid 13 and name HN and segid B))
       ((resid 11 and name HD* and segid A) OR (resid 11 and name HD* and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 4. (15 viol avg 0.210)
assign ((resid 13 and name HN and segid A) OR (resid 13 and name HN and segid B))
       ((resid 11 and name HB* and segid A) OR (resid 11 and name HB* and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (11 viol avg 0.470)
 
! =========== i+2 contacts to residue 12 ============
assign ((resid 12 and name HA* and segid A) OR (resid 12 and name HA* and segid B))
       ((resid 14 and name HN and segid A) OR (resid 14 and name HN and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (13 viol avg 0.390)
assign ((resid 12 and name HA* and segid A) OR (resid 12 and name HA* and segid B))
       ((resid 14 and name HN and segid A) OR (resid 14 and name HN and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (13 viol avg 0.390)
 
! =========== i+2 contacts to residue 13 ============
 
! =========== i+2 contacts to residue 14 ============
 
! =========== i+2 contacts to residue 15 ============
 
! =========== i+2 contacts to residue 16 ============
 
! =========== i+2 contacts to residue 17 ============
assign ((resid 19 and name HN and segid A) OR (resid 19 and name HN and segid B))
       ((resid 17 and name HN and segid A) OR (resid 17 and name HN and segid B))
        2.900 1.100 1.100
assign ((resid 17 and name HN and segid A) OR (resid 17 and name HN and segid B))
       ((resid 19 and name HN and segid A) OR (resid 19 and name HN and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (16 viol avg 0.524)
assign ((resid 19 and name HN and segid A) OR (resid 19 and name HN and segid B))
       ((resid 17 and name HB* and segid A) OR (resid 17 and name HB* and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 2. (33 viol avg 0.805)
assign ((resid 19 and name HN and segid A) OR (resid 19 and name HN and segid B))
       ((resid 17 and name HB* and segid A) OR (resid 17 and name HB* and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 2. (33 viol avg 0.805)
 
! =========== i+2 contacts to residue 18 ============
assign ((resid 18 and name HA and segid A) OR (resid 18 and name HA and segid B))
       ((resid 20 and name HB and segid A) OR (resid 20 and name HB and segid B))
        3.900 2.100 2.100 ! incr to 6.0 after round 4. (11 viol avg 0.298)
 
! =========== i+2 contacts to residue 19 ============
assign ((resid 21 and name HG2* and segid A) OR (resid 21 and name HG2* and segid B))
       ((resid 19 and name HN and segid A) OR (resid 19 and name HN and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (22 viol avg 0.404)
assign ((resid 21 and name HG2* and segid A) OR (resid 21 and name HG2* and segid B))
       ((resid 19 and name HN and segid A) OR (resid 19 and name HN and segid B))
        2.900 1.100 1.100
assign ((resid 21 and name HN and segid A) OR (resid 21 and name HN and segid B))
       ((resid 19 and name HN and segid A) OR (resid 19 and name HN and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (14 viol avg 0.380)
assign ((resid 21 and name HN and segid A) OR (resid 21 and name HN and segid B))
       ((resid 19 and name HN and segid A) OR (resid 19 and name HN and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (14 viol avg 0.380)
 
! =========== i+2 contacts to residue 20 ============
assign ((resid 20 and name HN and segid A) OR (resid 20 and name HN and segid B))
       ((resid 22 and name HN and segid A) OR (resid 22 and name HN and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (31 viol avg 0.545)
assign ((resid 22 and name HN and segid A) OR (resid 22 and name HN and segid B))
       ((resid 20 and name HA and segid A) OR (resid 20 and name HA and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (29 viol avg 0.455)
 
! =========== i+2 contacts to residue 21 ============
assign ((resid 23 and name HN and segid A) OR (resid 23 and name HN and segid B))
       ((resid 21 and name HA and segid A) OR (resid 21 and name HA and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 2. (35 viol avg 0.783)
assign ((resid 23 and name HN and segid A) OR (resid 23 and name HN and segid B))
       ((resid 21 and name HG2* and segid A) OR (resid 21 and name HG2* and segid B))
        2.900 1.100 1.100
 
! =========== i+2 contacts to residue 22 ============
assign ((resid 22 and name HN and segid A) OR (resid 22 and name HN and segid B))
       ((resid 24 and name HN and segid A) OR (resid 24 and name HN and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (16 viol avg 0.453)
assign ((resid 22 and name HN and segid A) OR (resid 22 and name HN and segid B))
       ((resid 24 and name HN and segid A) OR (resid 24 and name HN and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (16 viol avg 0.453)
assign ((resid 22 and name HB and segid A) OR (resid 22 and name HB and segid B))
       ((resid 24 and name HN and segid A) OR (resid 24 and name HN and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 3. (11 viol avg 0.300)
assign ((resid 22 and name HB and segid A) OR (resid 22 and name HB and segid B))
       ((resid 24 and name HN and segid A) OR (resid 24 and name HN and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 3. (11 viol avg 0.300)
assign ((resid 24 and name HN and segid A) OR (resid 24 and name HN and segid B))
       ((resid 22 and name HN and segid A) OR (resid 22 and name HN and segid B))
        2.900 1.100 1.100
assign ((resid 24 and name HN and segid A) OR (resid 24 and name HN and segid B))
       ((resid 22 and name HA and segid A) OR (resid 22 and name HA and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (31 viol avg 0.428)
assign ((resid 24 and name HN and segid A) OR (resid 24 and name HN and segid B))
       ((resid 22 and name HB and segid A) OR (resid 22 and name HB and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 3. (11 viol avg 0.300)
 
! =========== i+2 contacts to residue 23 ============
assign ((resid 25 and name HN and segid A) OR (resid 25 and name HN and segid B))
       ((resid 23 and name HA and segid A) OR (resid 23 and name HA and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 3. (11 viol avg 0.387)
assign ((resid 25 and name HD* and segid A) OR (resid 25 and name HD* and segid B))
       ((resid 23 and name HN and segid A) OR (resid 23 and name HN and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 3. (15 viol avg 0.363)
assign ((resid 23 and name HA and segid A) OR (resid 23 and name HA and segid B))
       ((resid 25 and name HN and segid A) OR (resid 25 and name HN and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 3. (11 viol avg 0.387)
 
! =========== i+2 contacts to residue 24 ============
assign ((resid 26 and name HN and segid A) OR (resid 26 and name HN and segid B))
       ((resid 24 and name HN and segid A) OR (resid 24 and name HN and segid B))
        2.900 1.100 1.100
assign ((resid 26 and name HG* and segid A) OR (resid 26 and name HG* and segid B))
       ((resid 24 and name HN and segid A) OR (resid 24 and name HN and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 3. (22 viol avg 0.399)
assign ((resid 26 and name HG* and segid A) OR (resid 26 and name HG* and segid B))
       ((resid 24 and name HN and segid A) OR (resid 24 and name HN and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 3. (22 viol avg 0.399)
assign ((resid 24 and name HN and segid A) OR (resid 24 and name HN and segid B))
       ((resid 26 and name HG* and segid A) OR (resid 26 and name HG* and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 3. (22 viol avg 0.399)
 
! =========== i+2 contacts to residue 25 ============
assign ((resid 27 and name HN and segid A) OR (resid 27 and name HN and segid B))
       ((resid 25 and name HN and segid A) OR (resid 25 and name HN and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 1. (31 viol avg 0.793)
assign ((resid 25 and name HB* and segid A) OR (resid 25 and name HB* and segid B))
       ((resid 27 and name HN and segid A) OR (resid 27 and name HN and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 2. (28 viol avg 0.876)
assign ((resid 27 and name HN and segid A) OR (resid 27 and name HN and segid B))
       ((resid 25 and name HB* and segid A) OR (resid 25 and name HB* and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 2. (28 viol avg 0.876)
 
! =========== i+2 contacts to residue 26 ============
 
! =========== i+2 contacts to residue 27 ============
 
! --------------------------------------------------------------------------
! i +/- 3 contacts
 
! =========== i+3 contacts to residue 1 ============
assign ((resid  4 and name HN and segid A) OR (resid  4 and name HN and segid B))
       ((resid  1 and name HD2 and segid A) OR (resid  1 and name HD2 and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 4. (15 viol avg 0.234)
 
! =========== i+3 contacts to residue 2 ============
assign ((resid  5 and name HN and segid A) OR (resid  5 and name HN and segid B))
       ((resid  2 and name HB and segid A) OR (resid  2 and name HB and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 3. (18 viol avg 0.436)
 
! =========== i+3 contacts to residue 3 ============
assign ((resid  3 and name HD2* and segid A) OR (resid  3 and name HD2* and segid B))
       ((resid  6 and name HD** and segid A) OR (resid  6 and name HD** and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 3. (10 viol avg 0.474)
 
! =========== i+3 contacts to residue 4 ============
assign ((resid  7 and name HN and segid A) OR (resid  7 and name HN and segid B))
       ((resid  4 and name HN and segid A) OR (resid  4 and name HN and segid B))
        3.900 2.100 2.100 ! incr to 6.0 after round 7. (10 viol avg 0.122)
assign ((resid  4 and name HA and segid A) OR (resid  4 and name HA and segid B))
       ((resid  7 and name HD2 and segid A) OR (resid  7 and name HD2 and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 4. (12 viol avg 0.315)
assign ((resid  7 and name HB* and segid A) OR (resid  7 and name HB* and segid B))
       ((resid  4 and name HN and segid A) OR (resid  4 and name HN and segid B))
        3.900 2.100 2.100 ! incr to 6.0 after round 4. (10 viol avg 0.313)
assign ((resid  7 and name HB* and segid A) OR (resid  7 and name HB* and segid B))
       ((resid  4 and name HB* and segid A) OR (resid  4 and name HB* and segid B))
        2.300 0.500 0.500
assign ((resid  4 and name HB* and segid A) OR (resid  4 and name HB* and segid B))
       ((resid  7 and name HB* and segid A) OR (resid  7 and name HB* and segid B))
        2.300 0.500 0.500
assign ((resid  4 and name HA and segid A) OR (resid  4 and name HA and segid B))
       ((resid  7 and name HB* and segid A) OR (resid  7 and name HB* and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (12 viol avg 0.707)
 
! =========== i+3 contacts to residue 5 ============
 
! =========== i+3 contacts to residue 6 ============
 
! =========== i+3 contacts to residue 7 ============
assign ((resid 10 and name HB and segid A) OR (resid 10 and name HB and segid B))
       ((resid  7 and name HN and segid A) OR (resid  7 and name HN and segid B))
        3.900 2.100 2.100 ! still violating at 6.0 after round 6. (8 viol avg 0.116)
assign ((resid  7 and name HD2 and segid A) OR (resid  7 and name HD2 and segid B))
       ((resid 10 and name HG** and segid A) OR (resid 10 and name HG** and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 3. (25 viol avg 0.429)
assign ((resid  7 and name HA and segid A) OR (resid  7 and name HA and segid B))
       ((resid 10 and name HG** and segid A) OR (resid 10 and name HG** and segid B))
        2.900 1.100 1.100
assign ((resid 10 and name HG** and segid A) OR (resid 10 and name HG** and segid B))
       ((resid  7 and name HB* and segid A) OR (resid  7 and name HB* and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 2. (21 viol avg 1.058)
assign ((resid 10 and name HN and segid A) OR (resid 10 and name HN and segid B))
       ((resid  7 and name HB* and segid A) OR (resid  7 and name HB* and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 4. (23 viol avg 0.247)
 
! =========== i+3 contacts to residue 8 ============
assign ((resid  8 and name HA and segid A) OR (resid  8 and name HA and segid B))
       ((resid 11 and name HD* and segid A) OR (resid 11 and name HD* and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 2. (23 viol avg 0.827)
 
! =========== i+3 contacts to residue 9 ============
assign ((resid  9 and name HD** and segid A) OR (resid  9 and name HD** and segid B))
       ((resid 12 and name HN and segid A) OR (resid 12 and name HN and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 2. (22 viol avg 0.684)
assign ((resid  9 and name HD** and segid A) OR (resid  9 and name HD** and segid B))
       ((resid 12 and name HN and segid A) OR (resid 12 and name HN and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 2. (22 viol avg 0.684)
 
! =========== i+3 contacts to residue 10 ============
assign ((resid 10 and name HA and segid A) OR (resid 10 and name HA and segid B))
       ((resid 13 and name HN and segid A) OR (resid 13 and name HN and segid B))
        3.400 1.600 1.600
assign ((resid 13 and name HN and segid A) OR (resid 13 and name HN and segid B))
       ((resid 10 and name HA and segid A) OR (resid 10 and name HA and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 4. (29 viol avg 0.272)
assign ((resid 10 and name HA and segid A) OR (resid 10 and name HA and segid B))
       ((resid 13 and name HG* and segid A) OR (resid 13 and name HG* and segid B))
        2.300 0.500 0.500
assign ((resid 10 and name HA and segid A) OR (resid 10 and name HA and segid B))
       ((resid 13 and name HG* and segid A) OR (resid 13 and name HG* and segid B))
        2.300 0.500 0.500
assign ((resid 10 and name HA and segid A) OR (resid 10 and name HA and segid B))
       ((resid 13 and name HB* and segid A) OR (resid 13 and name HB* and segid B))
        2.900 1.100 1.100
assign ((resid 13 and name HG* and segid A) OR (resid 13 and name HG* and segid B))
       ((resid 10 and name HA and segid A) OR (resid 10 and name HA and segid B))
        2.300 0.500 0.500
assign ((resid 13 and name HB* and segid A) OR (resid 13 and name HB* and segid B))
       ((resid 10 and name HA and segid A) OR (resid 10 and name HA and segid B))
        2.300 0.500 0.500
assign ((resid 13 and name HB* and segid A) OR (resid 13 and name HB* and segid B))
       ((resid 10 and name HA and segid A) OR (resid 10 and name HA and segid B))
        2.300 0.500 0.500
assign ((resid 13 and name HN and segid A) OR (resid 13 and name HN and segid B))
       ((resid 10 and name HG** and segid A) OR (resid 10 and name HG** and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (29 viol avg 0.510)
assign ((resid 13 and name HN and segid A) OR (resid 13 and name HN and segid B))
       ((resid 10 and name HG** and segid A) OR (resid 10 and name HG** and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (29 viol avg 0.510)
 
! =========== i+3 contacts to residue 11 ============
 
! =========== i+3 contacts to residue 12 ============
 
! =========== i+3 contacts to residue 13 ============
 
! =========== i+3 contacts to residue 14 ============
assign ((resid 14 and name HA and segid A) OR (resid 14 and name HA and segid B))
       ((resid 17 and name HN and segid A) OR (resid 17 and name HN and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (16 viol avg 0.480)
assign ((resid 14 and name HA and segid A) OR (resid 14 and name HA and segid B))
       ((resid 17 and name HD2* and segid A) OR (resid 17 and name HD2* and segid B))
        2.300 0.500 0.500
assign ((resid 14 and name HA and segid A) OR (resid 14 and name HA and segid B))
       ((resid 17 and name HB* and segid A) OR (resid 17 and name HB* and segid B))
        2.300 0.500 0.500
assign ((resid 14 and name HA and segid A) OR (resid 14 and name HA and segid B))
       ((resid 17 and name HB* and segid A) OR (resid 17 and name HB* and segid B))
        2.300 0.500 0.500
 
! =========== i+3 contacts to residue 15 ============
assign ((resid 15 and name HA and segid A) OR (resid 15 and name HA and segid B))
       ((resid 18 and name HN and segid A) OR (resid 18 and name HN and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (18 viol avg 0.522)
assign ((resid 15 and name HA and segid A) OR (resid 15 and name HA and segid B))
       ((resid 18 and name HB* and segid A) OR (resid 18 and name HB* and segid B))
        2.300 0.500 0.500
 
! =========== i+3 contacts to residue 16 ============
 
! =========== i+3 contacts to residue 17 ============
assign ((resid 17 and name HA and segid A) OR (resid 17 and name HA and segid B))
       ((resid 20 and name HN and segid A) OR (resid 20 and name HN and segid B))
        2.900 1.100 1.100
assign ((resid 17 and name HA and segid A) OR (resid 17 and name HA and segid B))
       ((resid 20 and name HG** and segid A) OR (resid 20 and name HG** and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (10 viol avg 0.605)
assign ((resid 17 and name HA and segid A) OR (resid 17 and name HA and segid B))
       ((resid 20 and name HB and segid A) OR (resid 20 and name HB and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (17 viol avg 0.709)
assign ((resid 17 and name HN and segid A) OR (resid 17 and name HN and segid B))
       ((resid 20 and name HB and segid A) OR (resid 20 and name HB and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 3. (14 viol avg 0.349)
 
! =========== i+3 contacts to residue 18 ============
 
! =========== i+3 contacts to residue 19 ============
assign ((resid 19 and name HA and segid A) OR (resid 19 and name HA and segid B))
       ((resid 22 and name HN and segid A) OR (resid 22 and name HN and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (15 viol avg 0.517)
 
! =========== i+3 contacts to residue 20 ============
assign ((resid 20 and name HA and segid A) OR (resid 20 and name HA and segid B))
       ((resid 23 and name HN and segid A) OR (resid 23 and name HN and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (10 viol avg 0.430)
assign ((resid 23 and name HN and segid A) OR (resid 23 and name HN and segid B))
       ((resid 20 and name HA and segid A) OR (resid 20 and name HA and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (10 viol avg 0.430)
assign ((resid 20 and name HA and segid A) OR (resid 20 and name HA and segid B))
       ((resid 23 and name HG** and segid A) OR (resid 23 and name HG** and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (19 viol avg 0.654)
assign ((resid 20 and name HA and segid A) OR (resid 20 and name HA and segid B))
       ((resid 23 and name HB and segid A) OR (resid 23 and name HB and segid B))
        2.900 1.100 1.100
assign ((resid 23 and name HB and segid A) OR (resid 23 and name HB and segid B))
       ((resid 20 and name HA and segid A) OR (resid 20 and name HA and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (17 viol avg 0.826)
 
! =========== i+3 contacts to residue 21 ============
assign ((resid 24 and name HN and segid A) OR (resid 24 and name HN and segid B))
       ((resid 21 and name HN and segid A) OR (resid 21 and name HN and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 4. (28 viol avg 0.244)
assign ((resid 21 and name HA and segid A) OR (resid 21 and name HA and segid B))
       ((resid 24 and name HN and segid A) OR (resid 24 and name HN and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (13 viol avg 0.464)
assign ((resid 21 and name HA and segid A) OR (resid 21 and name HA and segid B))
       ((resid 24 and name HN and segid A) OR (resid 24 and name HN and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (13 viol avg 0.464)
assign ((resid 21 and name HG2* and segid A) OR (resid 21 and name HG2* and segid B))
       ((resid 24 and name HN and segid A) OR (resid 24 and name HN and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (29 viol avg 0.396)
assign ((resid 21 and name HG2* and segid A) OR (resid 21 and name HG2* and segid B))
       ((resid 24 and name HN and segid A) OR (resid 24 and name HN and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (29 viol avg 0.396)
assign ((resid 24 and name HN and segid A) OR (resid 24 and name HN and segid B))
       ((resid 21 and name HA and segid A) OR (resid 21 and name HA and segid B))
        3.400 1.600 1.600
assign ((resid 21 and name HA and segid A) OR (resid 21 and name HA and segid B))
       ((resid 24 and name HD** and segid A) OR (resid 24 and name HD** and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 2. (23 viol avg 0.963)
assign ((resid 24 and name HN and segid A) OR (resid 24 and name HN and segid B))
       ((resid 21 and name HG2* and segid A) OR (resid 21 and name HG2* and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (29 viol avg 0.396)
 
! =========== i+3 contacts to residue 22 ============
assign ((resid 22 and name HA and segid A) OR (resid 22 and name HA and segid B))
       ((resid 25 and name HN and segid A) OR (resid 25 and name HN and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (11 viol avg 0.582)
assign ((resid 25 and name HD* and segid A) OR (resid 25 and name HD* and segid B))
       ((resid 22 and name HN and segid A) OR (resid 22 and name HN and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 3. (10 viol avg 0.391)
assign ((resid 22 and name HA and segid A) OR (resid 22 and name HA and segid B))
       ((resid 25 and name HD* and segid A) OR (resid 25 and name HD* and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 4. (11 viol avg 0.223)
assign ((resid 22 and name HB and segid A) OR (resid 22 and name HB and segid B))
       ((resid 25 and name HN and segid A) OR (resid 25 and name HN and segid B))
        3.900 2.100 2.100 ! incr to 6.0 after round 4. (11 viol avg 0.197)
assign ((resid 25 and name HN and segid A) OR (resid 25 and name HN and segid B))
       ((resid 22 and name HA and segid A) OR (resid 22 and name HA and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (11 viol avg 0.582)
assign ((resid 22 and name HA and segid A) OR (resid 22 and name HA and segid B))
       ((resid 25 and name HB* and segid A) OR (resid 25 and name HB* and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (20 viol avg 0.843)
 
! =========== i+3 contacts to residue 23 ============
assign ((resid 23 and name HA and segid A) OR (resid 23 and name HA and segid B))
       ((resid 26 and name HN and segid A) OR (resid 26 and name HN and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 2. (37 viol avg 0.866)
 
! =========== i+3 contacts to residue 24 ============
assign ((resid 27 and name HG* and segid A) OR (resid 27 and name HG* and segid B))
       ((resid 24 and name HN and segid A) OR (resid 24 and name HN and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 3. (19 viol avg 0.420)
assign ((resid 27 and name HG* and segid A) OR (resid 27 and name HG* and segid B))
       ((resid 24 and name HN and segid A) OR (resid 24 and name HN and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 3. (19 viol avg 0.420)
 
! =========== i+3 contacts to residue 25 ============
 
! =========== i+3 contacts to residue 26 ============
 
! =========== i+3 contacts to residue 27 ============
 
! --------------------------------------------------------------------------
! i +/- 4 contacts
 
! =========== i+4 contacts to residue 1 ============
 
! =========== i+4 contacts to residue 2 ============
 
! =========== i+4 contacts to residue 3 ============
 
! =========== i+4 contacts to residue 4 ============
 
! =========== i+4 contacts to residue 5 ============
 
! =========== i+4 contacts to residue 6 ============
 
! =========== i+4 contacts to residue 7 ============
assign ((resid  7 and name HB* and segid A) OR (resid  7 and name HB* and segid B))
       ((resid 11 and name HD* and segid A) OR (resid 11 and name HD* and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 4. (12 viol avg 0.266)
 
! =========== i+4 contacts to residue 8 ============
assign ((resid 12 and name HN and segid A) OR (resid 12 and name HN and segid B))
       ((resid  8 and name HA and segid A) OR (resid  8 and name HA and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (29 viol avg 0.615)
 
! =========== i+4 contacts to residue 9 ============
 
! =========== i+4 contacts to residue 10 ============
assign ((resid 10 and name HA and segid A) OR (resid 10 and name HA and segid B))
       ((resid 14 and name HN and segid A) OR (resid 14 and name HN and segid B))
        3.900 2.100 2.100 ! incr to 6.0 after round 4. (12 viol avg 0.207)
 
! =========== i+4 contacts to residue 11 ============
 
! =========== i+4 contacts to residue 12 ============
 
! =========== i+4 contacts to residue 13 ============
 
! =========== i+4 contacts to residue 14 ============
 
! =========== i+4 contacts to residue 15 ============
 
! =========== i+4 contacts to residue 16 ============
 
! =========== i+4 contacts to residue 17 ============
 
! =========== i+4 contacts to residue 18 ============
 
! =========== i+4 contacts to residue 19 ============
assign ((resid 19 and name HA and segid A) OR (resid 19 and name HA and segid B))
       ((resid 23 and name HG** and segid A) OR (resid 23 and name HG** and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 1. (32 viol avg 0.949)
 
! =========== i+4 contacts to residue 20 ============
assign ((resid 24 and name HN and segid A) OR (resid 24 and name HN and segid B))
       ((resid 20 and name HA and segid A) OR (resid 20 and name HA and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (14 viol avg 0.369)
assign ((resid 20 and name HA and segid A) OR (resid 20 and name HA and segid B))
       ((resid 24 and name HN and segid A) OR (resid 24 and name HN and segid B))
        2.900 1.100 1.100
assign ((resid 20 and name HA and segid A) OR (resid 20 and name HA and segid B))
       ((resid 24 and name HN and segid A) OR (resid 24 and name HN and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (14 viol avg 0.369)
assign ((resid 20 and name HA and segid A) OR (resid 20 and name HA and segid B))
       ((resid 24 and name HD** and segid A) OR (resid 24 and name HD** and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (19 viol avg 0.438)
assign ((resid 20 and name HA and segid A) OR (resid 20 and name HA and segid B))
       ((resid 24 and name HD** and segid A) OR (resid 24 and name HD** and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (19 viol avg 0.438)
assign ((resid 24 and name HD** and segid A) OR (resid 24 and name HD** and segid B))
       ((resid 20 and name HA and segid A) OR (resid 20 and name HA and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (19 viol avg 0.438)
assign ((resid 24 and name HD** and segid A) OR (resid 24 and name HD** and segid B))
       ((resid 20 and name HA and segid A) OR (resid 20 and name HA and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (19 viol avg 0.438)
 
! =========== i+4 contacts to residue 21 ============
assign ((resid 21 and name HA and segid A) OR (resid 21 and name HA and segid B))
       ((resid 25 and name HN and segid A) OR (resid 25 and name HN and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (21 viol avg 0.455)
assign ((resid 21 and name HA and segid A) OR (resid 21 and name HA and segid B))
       ((resid 25 and name HD* and segid A) OR (resid 25 and name HD* and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (10 viol avg 0.472)
assign ((resid 25 and name HN and segid A) OR (resid 25 and name HN and segid B))
       ((resid 21 and name HA and segid A) OR (resid 21 and name HA and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (21 viol avg 0.455)
assign ((resid 25 and name HE* and segid A) OR (resid 25 and name HE* and segid B))
       ((resid 21 and name HG2* and segid A) OR (resid 21 and name HG2* and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (20 viol avg 0.421)
assign ((resid 21 and name HG2* and segid A) OR (resid 21 and name HG2* and segid B))
       ((resid 25 and name HB* and segid A) OR (resid 25 and name HB* and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 4. (13 viol avg 0.353)
assign ((resid 25 and name HN and segid A) OR (resid 25 and name HN and segid B))
       ((resid 21 and name HG2* and segid A) OR (resid 21 and name HG2* and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 2. (34 viol avg 0.977)
 
! =========== i+4 contacts to residue 22 ============
 
! =========== i+4 contacts to residue 23 ============
assign ((resid 27 and name HN and segid A) OR (resid 27 and name HN and segid B))
       ((resid 23 and name HA and segid A) OR (resid 23 and name HA and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (14 viol avg 0.400)
 
! =========== i+4 contacts to residue 24 ============
 
! =========== i+4 contacts to residue 25 ============
 
! =========== i+4 contacts to residue 26 ============
 
! =========== i+4 contacts to residue 27 ============
 
! --------------------------------------------------------------------------
! i +/- 5 and longer contacts
 
! =========== i+5 or longer contacts to residue 1 ============
 
! =========== i+5 or longer contacts to residue 2 ============
 
! =========== i+5 or longer contacts to residue 3 ============
 
! =========== i+5 or longer contacts to residue 4 ============
 
! =========== i+5 or longer contacts to residue 5 ============
 
! =========== i+5 or longer contacts to residue 6 ============
 
! =========== i+5 or longer contacts to residue 7 ============
 
! =========== i+5 or longer contacts to residue 8 ============
 
! =========== i+5 or longer contacts to residue 9 ============
 
! =========== i+5 or longer contacts to residue 10 ============
 
! =========== i+5 or longer contacts to residue 11 ============
 
! =========== i+5 or longer contacts to residue 12 ============
 
! =========== i+5 or longer contacts to residue 13 ============
 
! =========== i+5 or longer contacts to residue 14 ============
 
! =========== i+5 or longer contacts to residue 15 ============
 
! =========== i+5 or longer contacts to residue 16 ============
 
! =========== i+5 or longer contacts to residue 17 ============
 
! =========== i+5 or longer contacts to residue 18 ============
 
! =========== i+5 or longer contacts to residue 19 ============
 
! =========== i+5 or longer contacts to residue 20 ============
assign ((resid 25 and name HD* and segid A) OR (resid 25 and name HD* and segid B))
       ((resid 20 and name HA and segid A) OR (resid 20 and name HA and segid B))
        3.900 2.100 2.100 ! incr to 6.0 after round 3. (11 viol avg 0.439)
assign ((resid 25 and name HE* and segid A) OR (resid 25 and name HE* and segid B))
       ((resid 20 and name HG** and segid A) OR (resid 20 and name HG** and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 4. (12 viol avg 0.298)
 
! =========== i+5 or longer contacts to residue 21 ============
assign ((resid 21 and name HA and segid A) OR (resid 21 and name HA and segid B))
       ((resid 26 and name HG* and segid A) OR (resid 26 and name HG* and segid B))
        3.900 2.100 2.100 ! still violating at 6.0 after round 7. (8 viol avg 0.140)
 
! =========== i+5 or longer contacts to residue 22 ============
assign ((resid 27 and name HN and segid A) OR (resid 27 and name HN and segid B))
       ((resid 22 and name HA and segid A) OR (resid 22 and name HA and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (31 viol avg 0.568)
 
! =========== i+5 or longer contacts to residue 23 ============
 
! =========== i+5 or longer contacts to residue 24 ============
 
! =========== i+5 or longer contacts to residue 25 ============
 
! =========== i+5 or longer contacts to residue 26 ============
 
! =========== i+5 or longer contacts to residue 27 ============
 
! --------------------------------------------------------------------------
! Ambiguous NOEs
assign ((resid 15 and name HN and segid A) OR (resid 15 and name HN and segid B) OR 
        (resid 22 and name HN and segid A) OR (resid 22 and name HN and segid B))
       ((resid 13 and name HA and segid A) OR (resid 13 and name HA and segid B) OR 
        (resid 21 and name HA and segid A) OR (resid 21 and name HA and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 4. (14 viol avg 0.147)
assign ((resid  2 and name HD1* and segid A) OR (resid  2 and name HD1* and segid B) OR 
        (resid  5 and name HD** and segid A) OR (resid  5 and name HD** and segid B))
       ((resid  3 and name HN and segid A) OR (resid  3 and name HN and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 4. (10 viol avg 0.210)
assign ((resid  2 and name HG2* and segid A) OR (resid  2 and name HG2* and segid B) OR 
        (resid  5 and name HD** and segid A) OR (resid  5 and name HD** and segid B))
       ((resid  3 and name HN and segid A) OR (resid  3 and name HN and segid B))
        2.900 1.100 1.100
assign ((resid  2 and name HG2* and segid A) OR (resid  2 and name HG2* and segid B) OR 
        (resid  5 and name HD** and segid A) OR (resid  5 and name HD** and segid B))
       ((resid  4 and name HN and segid A) OR (resid  4 and name HN and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 6. (8 viol avg 0.068)
assign ((resid  2 and name HD1* and segid A) OR (resid  2 and name HD1* and segid B) OR 
        (resid  5 and name HD** and segid A) OR (resid  5 and name HD** and segid B))
       ((resid  4 and name HN and segid A) OR (resid  4 and name HN and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 4. (12 viol avg 0.182)
assign ((resid  2 and name HG2* and segid A) OR (resid  2 and name HG2* and segid B) OR 
        (resid  5 and name HD** and segid A) OR (resid  5 and name HD** and segid B))
       ((resid  1 and name HE1 and segid A) OR (resid  1 and name HE1 and segid B))
        2.300 0.500 0.500
assign ((resid  2 and name HD1* and segid A) OR (resid  2 and name HD1* and segid B) OR 
        (resid  5 and name HD** and segid A) OR (resid  5 and name HD** and segid B))
       ((resid  1 and name HE1 and segid A) OR (resid  1 and name HE1 and segid B))
        2.300 0.500 0.500
assign ((resid 20 and name HG** and segid A) OR (resid 20 and name HG** and segid B) OR 
        (resid 22 and name HG** and segid A) OR (resid 22 and name HG** and segid B))
       ((resid 19 and name HN and segid A) OR (resid 19 and name HN and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (20 viol avg 0.475)
assign ((resid 20 and name HG** and segid A) OR (resid 20 and name HG** and segid B) OR 
        (resid 22 and name HG** and segid A) OR (resid 22 and name HG** and segid B))
       ((resid 19 and name HN and segid A) OR (resid 19 and name HN and segid B))
        2.900 1.100 1.100
assign ((resid  7 and name HN and segid A) OR (resid  7 and name HN and segid B) OR 
        (resid 14 and name HN and segid A) OR (resid 14 and name HN and segid B))
       ((resid 12 and name HN and segid A) OR (resid 12 and name HN and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (16 viol avg 0.448)
assign ((resid  7 and name HN and segid A) OR (resid  7 and name HN and segid B) OR 
        (resid 14 and name HN and segid A) OR (resid 14 and name HN and segid B))
       ((resid 12 and name HN and segid A) OR (resid 12 and name HN and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (16 viol avg 0.448)
assign ((resid 15 and name HN and segid A) OR (resid 15 and name HN and segid B) OR 
        (resid 22 and name HN and segid A) OR (resid 22 and name HN and segid B))
       ((resid 18 and name HN and segid A) OR (resid 18 and name HN and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 4. (41 viol avg 0.237)
assign ((resid 13 and name HA and segid A) OR (resid 13 and name HA and segid B) OR 
        (resid 21 and name HA and segid A) OR (resid 21 and name HA and segid B))
       ((resid 22 and name HN and segid A) OR (resid 22 and name HN and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 4. (38 viol avg 0.222)
assign ((resid 24 and name HA and segid A) OR (resid 24 and name HA and segid B) OR 
        (resid 26 and name HA and segid A) OR (resid 26 and name HA and segid B))
       ((resid 25 and name HD* and segid A) OR (resid 25 and name HD* and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (10 viol avg 0.338)
assign ((resid 11 and name HB* and segid A) OR (resid 11 and name HB* and segid B))
       ((resid 11 and name HE* and segid A) OR (resid 11 and name HE* and segid B) OR 
        (resid 11 and name HZ and segid A) OR (resid 11 and name HZ and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 1. (32 viol avg 0.576)
assign ((resid 26 and name HE* and segid A) OR (resid 26 and name HE* and segid B) OR 
        (resid 27 and name HE* and segid A) OR (resid 27 and name HE* and segid B))
       ((resid 25 and name HD* and segid A) OR (resid 25 and name HD* and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (26 viol avg 0.518)
assign ((resid  7 and name HB* and segid A) OR (resid  7 and name HB* and segid B))
       ((resid  9 and name HN and segid A) OR (resid  9 and name HN and segid B) OR 
        (resid 10 and name HN and segid A) OR (resid 10 and name HN and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (15 viol avg 0.335)
assign ((resid  5 and name HB* and segid A) OR (resid  5 and name HB* and segid B) OR 
        (resid  5 and name HG and segid A) OR (resid  5 and name HG and segid B))
       ((resid  4 and name HN and segid A) OR (resid  4 and name HN and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (12 viol avg 0.368)
assign ((resid  5 and name HB* and segid A) OR (resid  5 and name HB* and segid B) OR 
        (resid  5 and name HG and segid A) OR (resid  5 and name HG and segid B))
       ((resid  4 and name HN and segid A) OR (resid  4 and name HN and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (12 viol avg 0.368)
assign ((resid  5 and name HB* and segid A) OR (resid  5 and name HB* and segid B) OR 
        (resid  5 and name HG and segid A) OR (resid  5 and name HG and segid B))
       ((resid  3 and name HN and segid A) OR (resid  3 and name HN and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 8. (8 viol avg 0.079)
assign ((resid  5 and name HB* and segid A) OR (resid  5 and name HB* and segid B) OR 
        (resid  5 and name HG and segid A) OR (resid  5 and name HG and segid B))
       ((resid  3 and name HN and segid A) OR (resid  3 and name HN and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 8. (8 viol avg 0.079)
assign ((resid  8 and name HB and segid A) OR (resid  8 and name HB and segid B) OR 
        (resid 10 and name HB and segid A) OR (resid 10 and name HB and segid B))
       ((resid 11 and name HD* and segid A) OR (resid 11 and name HD* and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (17 viol avg 0.675)
assign ((resid 26 and name HB* and segid A) OR (resid 26 and name HB* and segid B))
       ((resid 25 and name HD* and segid A) OR (resid 25 and name HD* and segid B) OR 
        (resid 27 and name H2 and segid A) OR (resid 27 and name H2 and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (23 viol avg 0.539)
assign ((resid  8 and name HB and segid A) OR (resid  8 and name HB and segid B) OR 
        (resid 10 and name HB and segid A) OR (resid 10 and name HB and segid B))
       ((resid  7 and name HD2 and segid A) OR (resid  7 and name HD2 and segid B))
        3.900 2.100 2.100 ! incr to 6.0 after round 4. (11 viol avg 0.190)
assign ((resid 17 and name HN and segid A) OR (resid 17 and name HN and segid B))
       ((resid 18 and name HN and segid A) OR (resid 18 and name HN and segid B) OR 
        (resid 19 and name HN and segid A) OR (resid 19 and name HN and segid B))
        2.900 1.100 1.100
assign ((resid  7 and name HN and segid A) OR (resid  7 and name HN and segid B) OR 
        (resid 14 and name HN and segid A) OR (resid 14 and name HN and segid B))
       ((resid 11 and name HD* and segid A) OR (resid 11 and name HD* and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 4. (10 viol avg 0.311)
assign ((resid  7 and name HN and segid A) OR (resid  7 and name HN and segid B) OR 
        (resid 14 and name HN and segid A) OR (resid 14 and name HN and segid B))
       ((resid 11 and name HE* and segid A) OR (resid 11 and name HE* and segid B) OR 
        (resid 11 and name HZ and segid A) OR (resid 11 and name HZ and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 4. (30 viol avg 0.292)
assign ((resid 27 and name HN and segid A) OR (resid 27 and name HN and segid B))
       ((resid 24 and name HA and segid A) OR (resid 24 and name HA and segid B) OR 
        (resid 26 and name HA and segid A) OR (resid 26 and name HA and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (13 viol avg 0.292)
assign ((resid 11 and name HE* and segid A) OR (resid 11 and name HE* and segid B) OR 
        (resid 11 and name HZ and segid A) OR (resid 11 and name HZ and segid B))
       ((resid 11 and name HB* and segid A) OR (resid 11 and name HB* and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 1. (32 viol avg 0.576)
assign ((resid 25 and name HD* and segid A) OR (resid 25 and name HD* and segid B))
       ((resid 20 and name HG** and segid A) OR (resid 20 and name HG** and segid B) OR 
        (resid 22 and name HG** and segid A) OR (resid 22 and name HG** and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (10 viol avg 0.342)
assign ((resid 27 and name H1 and segid A) OR (resid 27 and name H1 and segid B))
       ((resid 20 and name HG** and segid A) OR (resid 20 and name HG** and segid B) OR 
        (resid 22 and name HG** and segid A) OR (resid 22 and name HG** and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 3. (12 viol avg 0.325)
assign ((resid 25 and name HD* and segid A) OR (resid 25 and name HD* and segid B))
       ((resid 20 and name HG** and segid A) OR (resid 20 and name HG** and segid B) OR 
        (resid 22 and name HG** and segid A) OR (resid 22 and name HG** and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (10 viol avg 0.342)
assign ((resid 24 and name HA and segid A) OR (resid 24 and name HA and segid B) OR 
        (resid 26 and name HA and segid A) OR (resid 26 and name HA and segid B))
       ((resid 23 and name HG** and segid A) OR (resid 23 and name HG** and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (25 viol avg 0.331)
assign ((resid 19 and name HA and segid A) OR (resid 19 and name HA and segid B))
       ((resid 20 and name HG** and segid A) OR (resid 20 and name HG** and segid B) OR 
        (resid 22 and name HG** and segid A) OR (resid 22 and name HG** and segid B))
        2.900 1.100 1.100
assign ((resid  4 and name HA and segid A) OR (resid  4 and name HA and segid B))
       ((resid  2 and name HG2* and segid A) OR (resid  2 and name HG2* and segid B) OR 
        (resid  5 and name HD** and segid A) OR (resid  5 and name HD** and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (35 viol avg 0.480)
assign ((resid  4 and name HA and segid A) OR (resid  4 and name HA and segid B))
       ((resid  2 and name HD1* and segid A) OR (resid  2 and name HD1* and segid B) OR 
        (resid  5 and name HD** and segid A) OR (resid  5 and name HD** and segid B))
        2.900 1.100 1.100
assign ((resid 21 and name HA and segid A) OR (resid 21 and name HA and segid B))
       ((resid 20 and name HG** and segid A) OR (resid 20 and name HG** and segid B) OR 
        (resid 22 and name HG** and segid A) OR (resid 22 and name HG** and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 4. (10 viol avg 0.136)
assign ((resid 21 and name HA and segid A) OR (resid 21 and name HA and segid B))
       ((resid 20 and name HG** and segid A) OR (resid 20 and name HG** and segid B) OR 
        (resid 22 and name HG** and segid A) OR (resid 22 and name HG** and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 4. (10 viol avg 0.136)
assign ((resid 19 and name HA and segid A) OR (resid 19 and name HA and segid B))
       ((resid 20 and name HG** and segid A) OR (resid 20 and name HG** and segid B) OR 
        (resid 22 and name HG** and segid A) OR (resid 22 and name HG** and segid B))
        2.900 1.100 1.100
assign ((resid 22 and name HA and segid A) OR (resid 22 and name HA and segid B))
       ((resid 20 and name HG** and segid A) OR (resid 20 and name HG** and segid B) OR 
        (resid 22 and name HG** and segid A) OR (resid 22 and name HG** and segid B))
        2.900 1.100 1.100
assign ((resid 22 and name HA and segid A) OR (resid 22 and name HA and segid B))
       ((resid 20 and name HG** and segid A) OR (resid 20 and name HG** and segid B) OR 
        (resid 22 and name HG** and segid A) OR (resid 22 and name HG** and segid B))
        2.900 1.100 1.100
assign ((resid 20 and name HA and segid A) OR (resid 20 and name HA and segid B))
       ((resid 20 and name HG** and segid A) OR (resid 20 and name HG** and segid B) OR 
        (resid 22 and name HG** and segid A) OR (resid 22 and name HG** and segid B))
        2.900 1.100 1.100
assign ((resid 20 and name HA and segid A) OR (resid 20 and name HA and segid B))
       ((resid 20 and name HG** and segid A) OR (resid 20 and name HG** and segid B) OR 
        (resid 22 and name HG** and segid A) OR (resid 22 and name HG** and segid B))
        2.900 1.100 1.100
assign ((resid 23 and name HA and segid A) OR (resid 23 and name HA and segid B))
       ((resid 19 and name HB* and segid A) OR (resid 19 and name HB* and segid B) OR 
        (resid 27 and name HG* and segid A) OR (resid 27 and name HG* and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 4. (15 viol avg 0.399)
assign ((resid 24 and name HA and segid A) OR (resid 24 and name HA and segid B) OR 
        (resid 26 and name HA and segid A) OR (resid 26 and name HA and segid B))
       ((resid 26 and name HG* and segid A) OR (resid 26 and name HG* and segid B))
        2.900 1.100 1.100
assign ((resid 24 and name HA and segid A) OR (resid 24 and name HA and segid B) OR 
        (resid 26 and name HA and segid A) OR (resid 26 and name HA and segid B))
       ((resid 19 and name HB* and segid A) OR (resid 19 and name HB* and segid B) OR 
        (resid 27 and name HG* and segid A) OR (resid 27 and name HG* and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 2. (25 viol avg 0.686)
assign ((resid 18 and name HA and segid A) OR (resid 18 and name HA and segid B) OR 
        (resid 25 and name HA and segid A) OR (resid 25 and name HA and segid B))
       ((resid 20 and name HG** and segid A) OR (resid 20 and name HG** and segid B) OR 
        (resid 22 and name HG** and segid A) OR (resid 22 and name HG** and segid B))
        2.900 1.100 1.100
assign ((resid 18 and name HA and segid A) OR (resid 18 and name HA and segid B) OR 
        (resid 25 and name HA and segid A) OR (resid 25 and name HA and segid B))
       ((resid 21 and name HG2* and segid A) OR (resid 21 and name HG2* and segid B))
        2.900 1.100 1.100
assign ((resid 18 and name HA and segid A) OR (resid 18 and name HA and segid B) OR 
        (resid 25 and name HA and segid A) OR (resid 25 and name HA and segid B))
       ((resid 19 and name HB* and segid A) OR (resid 19 and name HB* and segid B) OR 
        (resid 27 and name HG* and segid A) OR (resid 27 and name HG* and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 5. (17 viol avg 0.160)
assign ((resid  7 and name HB* and segid A) OR (resid  7 and name HB* and segid B))
       ((resid  8 and name HB and segid A) OR (resid  8 and name HB and segid B) OR 
        (resid 10 and name HB and segid A) OR (resid 10 and name HB and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (20 viol avg 0.378)
assign ((resid  8 and name HB and segid A) OR (resid  8 and name HB and segid B) OR 
        (resid 10 and name HB and segid A) OR (resid 10 and name HB and segid B))
       ((resid  7 and name HB* and segid A) OR (resid  7 and name HB* and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (20 viol avg 0.378)
assign ((resid  8 and name HB and segid A) OR (resid  8 and name HB and segid B) OR 
        (resid 10 and name HB and segid A) OR (resid 10 and name HB and segid B))
       ((resid 11 and name HB* and segid A) OR (resid 11 and name HB* and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 2. (45 viol avg 0.911)
assign ((resid 24 and name HA and segid A) OR (resid 24 and name HA and segid B) OR 
        (resid 26 and name HA and segid A) OR (resid 26 and name HA and segid B))
       ((resid 25 and name HB* and segid A) OR (resid 25 and name HB* and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 2. (27 viol avg 0.679)
assign ((resid 26 and name HE* and segid A) OR (resid 26 and name HE* and segid B) OR 
        (resid 27 and name HE* and segid A) OR (resid 27 and name HE* and segid B))
       ((resid 23 and name HA and segid A) OR (resid 23 and name HA and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (16 viol avg 0.577)
assign ((resid 20 and name HG** and segid A) OR (resid 20 and name HG** and segid B) OR 
        (resid 22 and name HG** and segid A) OR (resid 22 and name HG** and segid B))
       ((resid 25 and name HB* and segid A) OR (resid 25 and name HB* and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (25 viol avg 0.541)
assign ((resid  7 and name HN and segid A) OR (resid  7 and name HN and segid B) OR 
        (resid 14 and name HN and segid A) OR (resid 14 and name HN and segid B))
       ((resid 11 and name HB* and segid A) OR (resid 11 and name HB* and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 4. (13 viol avg 0.282)
assign ((resid  7 and name HN and segid A) OR (resid  7 and name HN and segid B) OR 
        (resid 14 and name HN and segid A) OR (resid 14 and name HN and segid B))
       ((resid  8 and name HB and segid A) OR (resid  8 and name HB and segid B) OR 
        (resid 10 and name HB and segid A) OR (resid 10 and name HB and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 6. (16 viol avg 0.080)
assign ((resid 19 and name HB* and segid A) OR (resid 19 and name HB* and segid B))
       ((resid 20 and name HG** and segid A) OR (resid 20 and name HG** and segid B) OR 
        (resid 22 and name HG** and segid A) OR (resid 22 and name HG** and segid B))
        2.900 1.100 1.100
assign ((resid  4 and name HN and segid A) OR (resid  4 and name HN and segid B))
       ((resid  2 and name HG2* and segid A) OR (resid  2 and name HG2* and segid B) OR 
        (resid  5 and name HD** and segid A) OR (resid  5 and name HD** and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 6. (8 viol avg 0.068)

! NOE data collected at 800 MHz, 250 ms mixing time. Sample label N660.
! residue 5 commented out due to assignment ambiguity.
! Intraresidue NOEs
 
! =========== Intraresidue contacts to residue 1 ============
assign (resid  1 and name HB* and segid A) (resid  1 and name HA and segid A) 2.900 1.100 1.100
assign (resid  1 and name HB* and segid B) (resid  1 and name HA and segid B) 2.900 1.100 1.100
assign (resid  1 and name HB* and segid A) (resid  1 and name HA and segid A) 2.900 1.100 1.100
assign (resid  1 and name HB* and segid B) (resid  1 and name HA and segid B) 2.900 1.100 1.100
! assign (resid   1 and name HB*) (resid   1 and name HB*)  2.900 1.800 4.000 ! geminal protons with same pseudoatom name
! assign (resid   1 and name HB*) (resid   1 and name HB*)  3.400 1.800 5.000 ! geminal protons with same pseudoatom name
assign (resid  1 and name HA and segid A) (resid  1 and name HB* and segid A) 2.900 1.100 1.100
assign (resid  1 and name HA and segid B) (resid  1 and name HB* and segid B) 2.900 1.100 1.100
assign (resid  1 and name HA and segid A) (resid  1 and name HB* and segid A) 2.900 1.100 1.100
assign (resid  1 and name HA and segid B) (resid  1 and name HB* and segid B) 2.900 1.100 1.100
assign (resid  1 and name HA and segid A) (resid  1 and name HD2 and segid A) 2.300 0.500 0.500
assign (resid  1 and name HA and segid B) (resid  1 and name HD2 and segid B) 2.300 0.500 0.500
assign (resid  1 and name HB* and segid A) (resid  1 and name HD2 and segid A) 2.900 1.100 1.100 ! incr to 4.0 after round 4. (42 viol avg 0.156)
assign (resid  1 and name HB* and segid B) (resid  1 and name HD2 and segid B) 2.900 1.100 1.100 ! incr to 4.0 after round 4. (36 viol avg 0.160)
assign (resid  1 and name HB* and segid A) (resid  1 and name HD2 and segid A) 2.900 1.100 1.100
assign (resid  1 and name HB* and segid B) (resid  1 and name HD2 and segid B) 2.900 1.100 1.100
assign (resid  1 and name HD2 and segid A) (resid  1 and name HA and segid A) 2.300 0.500 0.500
assign (resid  1 and name HD2 and segid B) (resid  1 and name HA and segid B) 2.300 0.500 0.500
assign (resid  1 and name HD2 and segid A) (resid  1 and name HB* and segid A) 2.900 1.100 1.100
assign (resid  1 and name HD2 and segid B) (resid  1 and name HB* and segid B) 2.900 1.100 1.100
assign (resid  1 and name HD2 and segid A) (resid  1 and name HB* and segid A) 2.900 1.100 1.100
assign (resid  1 and name HD2 and segid B) (resid  1 and name HB* and segid B) 2.900 1.100 1.100
 
! =========== Intraresidue contacts to residue 2 ============
assign (resid  2 and name HB and segid A) (resid  2 and name HA and segid A) 2.900 1.100 1.100 ! incr to 4.0 after round 4. (24 viol avg 0.154)
assign (resid  2 and name HB and segid B) (resid  2 and name HA and segid B) 2.900 1.100 1.100 ! incr to 4.0 after round 4. (18 viol avg 0.175)
assign (resid  2 and name HA and segid A) (resid  2 and name HB and segid A) 2.900 1.100 1.100
assign (resid  2 and name HA and segid B) (resid  2 and name HB and segid B) 2.900 1.100 1.100
assign (resid  2 and name HG2* and segid A) (resid  2 and name HA and segid A) 2.300 0.500 0.500
assign (resid  2 and name HG2* and segid B) (resid  2 and name HA and segid B) 2.300 0.500 0.500
assign (resid  2 and name HD1* and segid A) (resid  2 and name HA and segid A) 2.900 1.100 1.100
assign (resid  2 and name HD1* and segid B) (resid  2 and name HA and segid B) 2.900 1.100 1.100
assign (resid  2 and name HA and segid A) (resid  2 and name HN and segid A) 2.900 1.100 1.100
assign (resid  2 and name HA and segid B) (resid  2 and name HN and segid B) 2.900 1.100 1.100
assign (resid  2 and name HG* and segid A) (resid  2 and name HN and segid A) 2.900 1.100 1.100
assign (resid  2 and name HG* and segid B) (resid  2 and name HN and segid B) 2.900 1.100 1.100
assign (resid  2 and name HD1* and segid A) (resid  2 and name HN and segid A) 2.300 0.500 0.500
assign (resid  2 and name HD1* and segid B) (resid  2 and name HN and segid B) 2.300 0.500 0.500
assign (resid  2 and name HN and segid A) (resid  2 and name HG* and segid A) 2.300 0.500 0.500
assign (resid  2 and name HN and segid B) (resid  2 and name HG* and segid B) 2.300 0.500 0.500
assign (resid  2 and name HB and segid A) (resid  2 and name HN and segid A) 2.900 1.100 1.100
assign (resid  2 and name HB and segid B) (resid  2 and name HN and segid B) 2.900 1.100 1.100
assign (resid  2 and name HG* and segid A) (resid  2 and name HA and segid A) 2.300 0.500 0.500
assign (resid  2 and name HG* and segid B) (resid  2 and name HA and segid B) 2.300 0.500 0.500
assign (resid  2 and name HN and segid A) (resid  2 and name HA and segid A) 2.900 1.100 1.100 ! incr to 4.0 after round 4. (32 viol avg 0.128)
assign (resid  2 and name HN and segid B) (resid  2 and name HA and segid B) 2.900 1.100 1.100 ! incr to 4.0 after round 4. (35 viol avg 0.128)
assign (resid  2 and name HN and segid A) (resid  2 and name HB and segid A) 2.900 1.100 1.100
assign (resid  2 and name HN and segid B) (resid  2 and name HB and segid B) 2.900 1.100 1.100
assign (resid  2 and name HB and segid A) (resid  2 and name HG2* and segid A) 2.300 0.500 0.500
assign (resid  2 and name HB and segid B) (resid  2 and name HG2* and segid B) 2.300 0.500 0.500
assign (resid  2 and name HG2* and segid A) (resid  2 and name HB and segid A) 2.900 1.100 1.100
assign (resid  2 and name HG2* and segid B) (resid  2 and name HB and segid B) 2.900 1.100 1.100
 
! =========== Intraresidue contacts to residue 3 ============
assign (resid  3 and name HA and segid A) (resid  3 and name HN and segid A) 2.900 1.100 1.100
assign (resid  3 and name HA and segid B) (resid  3 and name HN and segid B) 2.900 1.100 1.100
assign (resid  3 and name HB* and segid A) (resid  3 and name HN and segid A) 2.900 1.100 1.100
assign (resid  3 and name HB* and segid B) (resid  3 and name HN and segid B) 2.900 1.100 1.100
assign (resid  3 and name HB* and segid A) (resid  3 and name HN and segid A) 2.900 1.100 1.100
assign (resid  3 and name HB* and segid B) (resid  3 and name HN and segid B) 2.900 1.100 1.100
assign (resid  3 and name HN and segid A) (resid  3 and name HA and segid A) 2.900 1.100 1.100
assign (resid  3 and name HN and segid B) (resid  3 and name HA and segid B) 2.900 1.100 1.100
assign (resid  3 and name HN and segid A) (resid  3 and name HB* and segid A) 2.900 1.100 1.100
assign (resid  3 and name HN and segid B) (resid  3 and name HB* and segid B) 2.900 1.100 1.100
assign (resid  3 and name HN and segid A) (resid  3 and name HB* and segid A) 2.900 1.100 1.100
assign (resid  3 and name HN and segid B) (resid  3 and name HB* and segid B) 2.900 1.100 1.100
assign (resid  3 and name HD2* and segid A) (resid  3 and name HB* and segid A) 2.900 1.100 1.100
assign (resid  3 and name HD2* and segid B) (resid  3 and name HB* and segid B) 2.900 1.100 1.100
assign (resid  3 and name HD2* and segid A) (resid  3 and name HB* and segid A) 2.300 0.500 0.500
assign (resid  3 and name HD2* and segid B) (resid  3 and name HB* and segid B) 2.300 0.500 0.500
assign (resid  3 and name HD2* and segid A) (resid  3 and name HB* and segid A) 2.900 1.100 1.100
assign (resid  3 and name HD2* and segid B) (resid  3 and name HB* and segid B) 2.900 1.100 1.100
assign (resid  3 and name HB* and segid A) (resid  3 and name HA and segid A) 2.900 1.100 1.100
assign (resid  3 and name HB* and segid B) (resid  3 and name HA and segid B) 2.900 1.100 1.100
! assign (resid   3 and name HB*) (resid   3 and name HB*)  3.400 1.800 5.000 ! geminal protons with same pseudoatom name
assign (resid  3 and name HA and segid A) (resid  3 and name HB* and segid A) 2.900 1.100 1.100
assign (resid  3 and name HA and segid B) (resid  3 and name HB* and segid B) 2.900 1.100 1.100
assign (resid  3 and name HA and segid A) (resid  3 and name HB* and segid A) 3.900 2.100 2.100
assign (resid  3 and name HA and segid B) (resid  3 and name HB* and segid B) 3.900 2.100 2.100
assign (resid  3 and name HD2* and segid A) (resid  3 and name HB* and segid A) 2.900 1.100 1.100
assign (resid  3 and name HD2* and segid B) (resid  3 and name HB* and segid B) 2.900 1.100 1.100
assign (resid  3 and name HD2* and segid A) (resid  3 and name HB* and segid A) 2.900 1.100 1.100
assign (resid  3 and name HD2* and segid B) (resid  3 and name HB* and segid B) 2.900 1.100 1.100
assign (resid  3 and name HD2* and segid A) (resid  3 and name HA and segid A) 2.900 1.100 1.100 ! incr to 4.0 after round 9. (6 viol avg 0.243)
assign (resid  3 and name HD2* and segid B) (resid  3 and name HA and segid B) 2.900 1.100 1.100 ! incr to 4.0 after round 4. (12 viol avg 0.297)
assign (resid  3 and name HD2* and segid A) (resid  3 and name HA and segid A) 2.900 1.100 1.100 ! incr to 4.0 after round 9. (6 viol avg 0.243)
assign (resid  3 and name HD2* and segid B) (resid  3 and name HA and segid B) 2.900 1.100 1.100 ! incr to 4.0 after round 4. (12 viol avg 0.297)
! assign (resid   3 and name HD2*) (resid   3 and name HD2*)  3.400 1.800 5.000 ! geminal protons with same pseudoatom name
assign (resid  3 and name HB* and segid A) (resid  3 and name HD2* and segid A) 2.900 1.100 1.100
assign (resid  3 and name HB* and segid B) (resid  3 and name HD2* and segid B) 2.900 1.100 1.100
assign (resid  3 and name HB* and segid A) (resid  3 and name HD2* and segid A) 2.900 1.100 1.100
assign (resid  3 and name HB* and segid B) (resid  3 and name HD2* and segid B) 2.900 1.100 1.100
assign (resid  3 and name HA and segid A) (resid  3 and name HD2* and segid A) 2.900 1.100 1.100 ! incr to 4.0 after round 9. (6 viol avg 0.243)
assign (resid  3 and name HA and segid B) (resid  3 and name HD2* and segid B) 2.900 1.100 1.100 ! incr to 4.0 after round 4. (12 viol avg 0.297)
assign (resid  3 and name HB* and segid A) (resid  3 and name HD2* and segid A) 2.900 1.100 1.100
assign (resid  3 and name HB* and segid B) (resid  3 and name HD2* and segid B) 2.900 1.100 1.100
assign (resid  3 and name HB* and segid A) (resid  3 and name HD2* and segid A) 2.900 1.100 1.100
assign (resid  3 and name HB* and segid B) (resid  3 and name HD2* and segid B) 2.900 1.100 1.100
 
! =========== Intraresidue contacts to residue 4 ============
assign (resid  4 and name HA and segid A) (resid  4 and name HN and segid A) 2.900 1.100 1.100
assign (resid  4 and name HA and segid B) (resid  4 and name HN and segid B) 2.900 1.100 1.100
assign (resid  4 and name HB* and segid A) (resid  4 and name HN and segid A) 2.900 1.100 1.100
assign (resid  4 and name HB* and segid B) (resid  4 and name HN and segid B) 2.900 1.100 1.100
assign (resid  4 and name HB* and segid A) (resid  4 and name HN and segid A) 2.900 1.100 1.100
assign (resid  4 and name HB* and segid B) (resid  4 and name HN and segid B) 2.900 1.100 1.100
assign (resid  4 and name HG* and segid A) (resid  4 and name HN and segid A) 2.900 1.100 1.100
assign (resid  4 and name HG* and segid B) (resid  4 and name HN and segid B) 2.900 1.100 1.100
assign (resid  4 and name HG* and segid A) (resid  4 and name HN and segid A) 2.900 1.100 1.100
assign (resid  4 and name HG* and segid B) (resid  4 and name HN and segid B) 2.900 1.100 1.100
assign (resid  4 and name HN and segid A) (resid  4 and name HA and segid A) 2.900 1.100 1.100
assign (resid  4 and name HN and segid B) (resid  4 and name HA and segid B) 2.900 1.100 1.100
assign (resid  4 and name HN and segid A) (resid  4 and name HG* and segid A) 2.900 1.100 1.100
assign (resid  4 and name HN and segid B) (resid  4 and name HG* and segid B) 2.900 1.100 1.100
assign (resid  4 and name HN and segid A) (resid  4 and name HG* and segid A) 2.900 1.100 1.100
assign (resid  4 and name HN and segid B) (resid  4 and name HG* and segid B) 2.900 1.100 1.100
assign (resid  4 and name HG* and segid A) (resid  4 and name HA and segid A) 2.900 1.100 1.100
assign (resid  4 and name HG* and segid B) (resid  4 and name HA and segid B) 2.900 1.100 1.100
assign (resid  4 and name HB* and segid A) (resid  4 and name HA and segid A) 2.900 1.100 1.100
assign (resid  4 and name HB* and segid B) (resid  4 and name HA and segid B) 2.900 1.100 1.100
assign (resid  4 and name HB* and segid A) (resid  4 and name HA and segid A) 2.900 1.100 1.100
assign (resid  4 and name HB* and segid B) (resid  4 and name HA and segid B) 2.900 1.100 1.100
assign (resid  4 and name HA and segid A) (resid  4 and name HB* and segid A) 2.900 1.100 1.100
assign (resid  4 and name HA and segid B) (resid  4 and name HB* and segid B) 2.900 1.100 1.100
assign (resid  4 and name HA and segid A) (resid  4 and name HG* and segid A) 2.900 1.100 1.100
assign (resid  4 and name HA and segid B) (resid  4 and name HG* and segid B) 2.900 1.100 1.100
assign (resid  4 and name HA and segid A) (resid  4 and name HG* and segid A) 2.900 1.100 1.100
assign (resid  4 and name HA and segid B) (resid  4 and name HG* and segid B) 2.900 1.100 1.100
assign (resid  4 and name HA and segid A) (resid  4 and name HB* and segid A) 2.900 1.100 1.100
assign (resid  4 and name HA and segid B) (resid  4 and name HB* and segid B) 2.900 1.100 1.100
assign (resid  4 and name HN and segid A) (resid  4 and name HB* and segid A) 2.900 1.100 1.100
assign (resid  4 and name HN and segid B) (resid  4 and name HB* and segid B) 2.900 1.100 1.100
assign (resid  4 and name HN and segid A) (resid  4 and name HB* and segid A) 2.900 1.100 1.100
assign (resid  4 and name HN and segid B) (resid  4 and name HB* and segid B) 2.900 1.100 1.100
assign (resid  4 and name HG* and segid A) (resid  4 and name HA and segid A) 2.900 1.100 1.100
assign (resid  4 and name HG* and segid B) (resid  4 and name HA and segid B) 2.900 1.100 1.100
assign (resid  4 and name HG* and segid A) (resid  4 and name HB* and segid A) 2.900 1.100 1.100
assign (resid  4 and name HG* and segid B) (resid  4 and name HB* and segid B) 2.900 1.100 1.100
assign (resid  4 and name HG* and segid A) (resid  4 and name HB* and segid A) 2.900 1.100 1.100
assign (resid  4 and name HG* and segid B) (resid  4 and name HB* and segid B) 2.900 1.100 1.100
assign (resid  4 and name HG* and segid A) (resid  4 and name HB* and segid A) 2.900 1.100 1.100
assign (resid  4 and name HG* and segid B) (resid  4 and name HB* and segid B) 2.900 1.100 1.100
! assign (resid   4 and name HG*) (resid   4 and name HG*)  3.400 1.800 5.000 ! geminal protons with same pseudoatom name
! assign (resid   4 and name HG*) (resid   4 and name HG*)  3.400 1.800 5.000 ! geminal protons with same pseudoatom name
! assign (resid   4 and name HB*) (resid   4 and name HB*)  3.400 1.800 5.000 ! geminal protons with same pseudoatom name
assign (resid  4 and name HB* and segid A) (resid  4 and name HG* and segid A) 2.900 1.100 1.100
assign (resid  4 and name HB* and segid B) (resid  4 and name HG* and segid B) 2.900 1.100 1.100
assign (resid  4 and name HB* and segid A) (resid  4 and name HG* and segid A) 2.900 1.100 1.100
assign (resid  4 and name HB* and segid B) (resid  4 and name HG* and segid B) 2.900 1.100 1.100
assign (resid  4 and name HG* and segid A) (resid  4 and name HB* and segid A) 2.900 1.100 1.100
assign (resid  4 and name HG* and segid B) (resid  4 and name HB* and segid B) 2.900 1.100 1.100
assign (resid  4 and name HB* and segid A) (resid  4 and name HG* and segid A) 2.900 1.100 1.100
assign (resid  4 and name HB* and segid B) (resid  4 and name HG* and segid B) 2.900 1.100 1.100
assign (resid  4 and name HB* and segid A) (resid  4 and name HG* and segid A) 2.900 1.100 1.100
assign (resid  4 and name HB* and segid B) (resid  4 and name HG* and segid B) 2.900 1.100 1.100
! assign (resid   4 and name HB*) (resid   4 and name HB*)  3.400 1.800 5.000 ! geminal protons with same pseudoatom name
 
! =========== Intraresidue contacts to residue 5 ============
! assign (resid   5 and name HA) (resid   5 and name HN)  2.900 1.800 4.000 ! Commented out at user request by SparkyNOEcal.tcl
! assign (resid   5 and name HG) (resid   5 and name HN)  2.900 1.800 4.000 ! Commented out at user request by SparkyNOEcal.tcl
! assign (resid   5 and name HN) (resid   5 and name HA)  2.900 1.800 4.000 ! Commented out at user request by SparkyNOEcal.tcl
! assign (resid   5 and name HB*) (resid   5 and name HA)  2.900 1.800 4.000 ! Commented out at user request by SparkyNOEcal.tcl
! assign (resid   5 and name HG) (resid   5 and name HA)  2.900 1.800 4.000 ! Commented out at user request by SparkyNOEcal.tcl
! assign (resid   5 and name HB*) (resid   5 and name HA)  3.400 1.800 5.000 ! Commented out at user request by SparkyNOEcal.tcl
! assign (resid   5 and name HB*) (resid   5 and name HA)  3.400 1.800 5.000 ! Commented out at user request by SparkyNOEcal.tcl
! assign (resid   5 and name HA) (resid   5 and name HB*)  2.900 1.800 4.000 ! Commented out at user request by SparkyNOEcal.tcl
! assign (resid   5 and name HA) (resid   5 and name HG)  2.900 1.800 4.000 ! Commented out at user request by SparkyNOEcal.tcl
! assign (resid   5 and name HA) (resid   5 and name HB*)  2.900 1.800 4.000 ! Commented out at user request by SparkyNOEcal.tcl
! assign (resid   5 and name HG) (resid   5 and name HA)  2.900 1.800 4.000 ! Commented out at user request by SparkyNOEcal.tcl
! assign (resid   5 and name HD**) (resid   5 and name HN)  2.900 1.800 4.000 ! Commented out at user request by SparkyNOEcal.tcl
! assign (resid   5 and name HD**) (resid   5 and name HA)  3.400 1.800 5.000 ! Commented out at user request by SparkyNOEcal.tcl
! assign (resid   5 and name HD**) (resid   5 and name HA)  3.400 1.800 5.000 ! Commented out at user request by SparkyNOEcal.tcl
! assign (resid   5 and name HN) (resid   5 and name HG)  2.900 1.800 4.000 ! Commented out at user request by SparkyNOEcal.tcl
! assign (resid   5 and name HN) (resid   5 and name HB*)  2.900 1.800 4.000 ! Commented out at user request by SparkyNOEcal.tcl
! assign (resid   5 and name HA) (resid   5 and name HD**)  2.900 1.800 4.000 ! Commented out at user request by SparkyNOEcal.tcl
 
! =========== Intraresidue contacts to residue 6 ============
assign (resid  6 and name HA and segid A) (resid  6 and name HN and segid A) 2.900 1.100 1.100
assign (resid  6 and name HA and segid B) (resid  6 and name HN and segid B) 2.900 1.100 1.100
assign (resid  6 and name HB* and segid A) (resid  6 and name HN and segid A) 2.900 1.100 1.100
assign (resid  6 and name HB* and segid B) (resid  6 and name HN and segid B) 2.900 1.100 1.100
assign (resid  6 and name HG and segid A) (resid  6 and name HN and segid A) 3.400 1.600 1.600 ! incr to 5.0 after round 3. (12 viol avg 0.347)
assign (resid  6 and name HG and segid B) (resid  6 and name HN and segid B) 2.900 1.100 1.100
assign (resid  6 and name HN and segid A) (resid  6 and name HA and segid A) 2.900 1.100 1.100
assign (resid  6 and name HN and segid B) (resid  6 and name HA and segid B) 2.900 1.100 1.100
assign (resid  6 and name HB* and segid A) (resid  6 and name HA and segid A) 2.900 1.100 1.100
assign (resid  6 and name HB* and segid B) (resid  6 and name HA and segid B) 2.900 1.100 1.100
assign (resid  6 and name HG and segid A) (resid  6 and name HA and segid A) 2.900 1.100 1.100
assign (resid  6 and name HG and segid B) (resid  6 and name HA and segid B) 2.900 1.100 1.100
assign (resid  6 and name HA and segid A) (resid  6 and name HB* and segid A) 2.900 1.100 1.100
assign (resid  6 and name HA and segid B) (resid  6 and name HB* and segid B) 2.900 1.100 1.100
assign (resid  6 and name HA and segid A) (resid  6 and name HD** and segid A) 2.900 1.100 1.100
assign (resid  6 and name HA and segid B) (resid  6 and name HD** and segid B) 2.900 1.100 1.100
assign (resid  6 and name HA and segid A) (resid  6 and name HD** and segid A) 2.900 1.100 1.100
assign (resid  6 and name HA and segid B) (resid  6 and name HD** and segid B) 2.900 1.100 1.100
assign (resid  6 and name HA and segid A) (resid  6 and name HG and segid A) 2.900 1.100 1.100
assign (resid  6 and name HA and segid B) (resid  6 and name HG and segid B) 2.900 1.100 1.100
assign (resid  6 and name HD** and segid A) (resid  6 and name HN and segid A) 2.900 1.100 1.100
assign (resid  6 and name HD** and segid B) (resid  6 and name HN and segid B) 2.900 1.100 1.100
assign (resid  6 and name HD** and segid A) (resid  6 and name HA and segid A) 2.900 1.100 1.100
assign (resid  6 and name HD** and segid B) (resid  6 and name HA and segid B) 2.900 1.100 1.100
assign (resid  6 and name HD** and segid A) (resid  6 and name HA and segid A) 2.900 1.100 1.100
assign (resid  6 and name HD** and segid B) (resid  6 and name HA and segid B) 2.900 1.100 1.100
assign (resid  6 and name HN and segid A) (resid  6 and name HB* and segid A) 2.900 1.100 1.100
assign (resid  6 and name HN and segid B) (resid  6 and name HB* and segid B) 2.900 1.100 1.100
assign (resid  6 and name HN and segid A) (resid  6 and name HG and segid A) 3.400 1.600 1.600 ! incr to 5.0 after round 3. (12 viol avg 0.347)
assign (resid  6 and name HN and segid B) (resid  6 and name HG and segid B) 2.900 1.100 1.100
assign (resid  6 and name HN and segid A) (resid  6 and name HD** and segid A) 3.400 1.600 1.600
assign (resid  6 and name HN and segid B) (resid  6 and name HD** and segid B) 3.400 1.600 1.600
assign (resid  6 and name HN and segid A) (resid  6 and name HD** and segid A) 3.400 1.600 1.600
assign (resid  6 and name HN and segid B) (resid  6 and name HD** and segid B) 3.400 1.600 1.600
 
! =========== Intraresidue contacts to residue 7 ============
assign (resid  7 and name HA and segid A) (resid  7 and name HN and segid A) 3.400 1.600 1.600
assign (resid  7 and name HA and segid B) (resid  7 and name HN and segid B) 3.400 1.600 1.600
assign (resid  7 and name HB* and segid A) (resid  7 and name HN and segid A) 2.900 1.100 1.100
assign (resid  7 and name HB* and segid B) (resid  7 and name HN and segid B) 2.900 1.100 1.100
assign (resid  7 and name HN and segid A) (resid  7 and name HA and segid A) 2.900 1.100 1.100
assign (resid  7 and name HN and segid B) (resid  7 and name HA and segid B) 2.900 1.100 1.100
assign (resid  7 and name HE1 and segid A) (resid  7 and name HA and segid A) 3.900 2.100 2.100 ! still violating at 6.0 after round 7. (11 viol avg 0.086)
assign (resid  7 and name HE1 and segid B) (resid  7 and name HA and segid B) 3.900 2.100 2.100 ! still violating at 6.0 after round 9. (6 viol avg 0.094)
assign (resid  7 and name HN and segid A) (resid  7 and name HB* and segid A) 2.900 1.100 1.100
assign (resid  7 and name HN and segid B) (resid  7 and name HB* and segid B) 2.900 1.100 1.100
assign (resid  7 and name HB* and segid A) (resid  7 and name HA and segid A) 2.900 1.100 1.100
assign (resid  7 and name HB* and segid B) (resid  7 and name HA and segid B) 2.900 1.100 1.100
assign (resid  7 and name HA and segid A) (resid  7 and name HB* and segid A) 2.900 1.100 1.100
assign (resid  7 and name HA and segid B) (resid  7 and name HB* and segid B) 2.900 1.100 1.100
assign (resid  7 and name HD2 and segid A) (resid  7 and name HA and segid A) 3.400 1.600 1.600 ! incr to 5.0 after round 6. (9 viol avg 0.114)
assign (resid  7 and name HD2 and segid B) (resid  7 and name HA and segid B) 3.400 1.600 1.600 ! incr to 5.0 after round 4. (10 viol avg 0.214)
assign (resid  7 and name HA and segid A) (resid  7 and name HD2 and segid A) 3.400 1.600 1.600 ! incr to 5.0 after round 6. (9 viol avg 0.114)
assign (resid  7 and name HA and segid B) (resid  7 and name HD2 and segid B) 3.400 1.600 1.600 ! incr to 5.0 after round 4. (10 viol avg 0.214)
assign (resid  7 and name HN and segid A) (resid  7 and name HD2 and segid A) 2.300 0.500 0.500
assign (resid  7 and name HN and segid B) (resid  7 and name HD2 and segid B) 2.300 0.500 0.500
assign (resid  7 and name HB* and segid A) (resid  7 and name HD2 and segid A) 2.900 1.100 1.100
assign (resid  7 and name HB* and segid B) (resid  7 and name HD2 and segid B) 2.900 1.100 1.100
assign (resid  7 and name HD2 and segid A) (resid  7 and name HN and segid A) 2.300 0.500 0.500
assign (resid  7 and name HD2 and segid B) (resid  7 and name HN and segid B) 2.300 0.500 0.500
assign (resid  7 and name HD2 and segid A) (resid  7 and name HB* and segid A) 2.900 1.100 1.100
assign (resid  7 and name HD2 and segid B) (resid  7 and name HB* and segid B) 2.900 1.100 1.100
assign (resid  7 and name HA and segid A) (resid  7 and name HE1 and segid A) 3.900 2.100 2.100 ! still violating at 6.0 after round 7. (11 viol avg 0.086)
assign (resid  7 and name HA and segid B) (resid  7 and name HE1 and segid B) 3.900 2.100 2.100 ! still violating at 6.0 after round 9. (6 viol avg 0.094)
assign (resid  7 and name HD2 and segid A) (resid  7 and name HE1 and segid A) 3.400 1.600 1.600 ! incr to 5.0 after round 4. (60 viol avg 0.185)
assign (resid  7 and name HD2 and segid B) (resid  7 and name HE1 and segid B) 3.400 1.600 1.600 ! incr to 5.0 after round 4. (60 viol avg 0.183)
assign (resid  7 and name HE1 and segid A) (resid  7 and name HD2 and segid A) 3.400 1.600 1.600 ! incr to 5.0 after round 4. (60 viol avg 0.185)
assign (resid  7 and name HE1 and segid B) (resid  7 and name HD2 and segid B) 3.400 1.600 1.600 ! incr to 5.0 after round 4. (60 viol avg 0.183)
 
! =========== Intraresidue contacts to residue 8 ============
assign (resid  8 and name HA and segid A) (resid  8 and name HN and segid A) 2.900 1.100 1.100
assign (resid  8 and name HA and segid B) (resid  8 and name HN and segid B) 2.900 1.100 1.100
assign (resid  8 and name HB and segid A) (resid  8 and name HN and segid A) 2.900 1.100 1.100
assign (resid  8 and name HB and segid B) (resid  8 and name HN and segid B) 2.900 1.100 1.100
assign (resid  8 and name HG1* and segid A) (resid  8 and name HN and segid A) 2.900 1.100 1.100
assign (resid  8 and name HG1* and segid B) (resid  8 and name HN and segid B) 2.900 1.100 1.100
assign (resid  8 and name HG2* and segid A) (resid  8 and name HN and segid A) 2.900 1.100 1.100
assign (resid  8 and name HG2* and segid B) (resid  8 and name HN and segid B) 2.900 1.100 1.100
assign (resid  8 and name HN and segid A) (resid  8 and name HA and segid A) 2.900 1.100 1.100
assign (resid  8 and name HN and segid B) (resid  8 and name HA and segid B) 2.900 1.100 1.100
assign (resid  8 and name HB and segid A) (resid  8 and name HA and segid A) 2.900 1.100 1.100
assign (resid  8 and name HB and segid B) (resid  8 and name HA and segid B) 2.900 1.100 1.100
assign (resid  8 and name HG1* and segid A) (resid  8 and name HA and segid A) 2.900 1.100 1.100
assign (resid  8 and name HG1* and segid B) (resid  8 and name HA and segid B) 2.900 1.100 1.100
assign (resid  8 and name HG2* and segid A) (resid  8 and name HA and segid A) 2.900 1.100 1.100
assign (resid  8 and name HG2* and segid B) (resid  8 and name HA and segid B) 2.900 1.100 1.100
assign (resid  8 and name HA and segid A) (resid  8 and name HG1* and segid A) 2.900 1.100 1.100
assign (resid  8 and name HA and segid B) (resid  8 and name HG1* and segid B) 2.900 1.100 1.100
assign (resid  8 and name HA and segid A) (resid  8 and name HB and segid A) 2.900 1.100 1.100
assign (resid  8 and name HA and segid B) (resid  8 and name HB and segid B) 2.900 1.100 1.100
assign (resid  8 and name HB and segid A) (resid  8 and name HG1* and segid A) 2.900 1.100 1.100
assign (resid  8 and name HB and segid B) (resid  8 and name HG1* and segid B) 2.900 1.100 1.100
assign (resid  8 and name HD1* and segid A) (resid  8 and name HA and segid A) 2.900 1.100 1.100
assign (resid  8 and name HD1* and segid B) (resid  8 and name HA and segid B) 2.900 1.100 1.100
assign (resid  8 and name HG2* and segid A) (resid  8 and name HB and segid A) 2.300 0.500 0.500
assign (resid  8 and name HG2* and segid B) (resid  8 and name HB and segid B) 2.300 0.500 0.500
assign (resid  8 and name HG2* and segid A) (resid  8 and name HG1* and segid A) 3.400 1.600 1.600
assign (resid  8 and name HG2* and segid B) (resid  8 and name HG1* and segid B) 3.400 1.600 1.600
assign (resid  8 and name HG2* and segid A) (resid  8 and name HD1* and segid A) 3.400 1.600 1.600
assign (resid  8 and name HG2* and segid B) (resid  8 and name HD1* and segid B) 3.400 1.600 1.600
assign (resid  8 and name HG1* and segid A) (resid  8 and name HG2* and segid A) 2.900 1.100 1.100
assign (resid  8 and name HG1* and segid B) (resid  8 and name HG2* and segid B) 2.900 1.100 1.100
assign (resid  8 and name HG1* and segid A) (resid  8 and name HB and segid A) 3.900 2.100 2.100
assign (resid  8 and name HG1* and segid B) (resid  8 and name HB and segid B) 3.900 2.100 2.100
assign (resid  8 and name HD1* and segid A) (resid  8 and name HN and segid A) 3.400 1.600 1.600 ! incr to 5.0 after round 4. (12 viol avg 0.237)
assign (resid  8 and name HD1* and segid B) (resid  8 and name HN and segid B) 3.400 1.600 1.600 ! incr to 5.0 after round 5. (12 viol avg 0.146)
assign (resid  8 and name HN and segid A) (resid  8 and name HB and segid A) 2.900 1.100 1.100
assign (resid  8 and name HN and segid B) (resid  8 and name HB and segid B) 2.900 1.100 1.100
assign (resid  8 and name HN and segid A) (resid  8 and name HG1* and segid A) 2.900 1.100 1.100
assign (resid  8 and name HN and segid B) (resid  8 and name HG1* and segid B) 2.900 1.100 1.100
assign (resid  8 and name HN and segid A) (resid  8 and name HG2* and segid A) 3.900 2.100 2.100
assign (resid  8 and name HN and segid B) (resid  8 and name HG2* and segid B) 3.900 2.100 2.100
assign (resid  8 and name HN and segid A) (resid  8 and name HD1* and segid A) 3.400 1.600 1.600
assign (resid  8 and name HN and segid B) (resid  8 and name HD1* and segid B) 3.400 1.600 1.600
assign (resid  8 and name HD1* and segid A) (resid  8 and name HB and segid A) 3.400 1.600 1.600
assign (resid  8 and name HD1* and segid B) (resid  8 and name HB and segid B) 3.400 1.600 1.600
assign (resid  8 and name HA and segid A) (resid  8 and name HG2* and segid A) 3.900 2.100 2.100
assign (resid  8 and name HA and segid B) (resid  8 and name HG2* and segid B) 3.900 2.100 2.100
 
! =========== Intraresidue contacts to residue 9 ============
assign (resid  9 and name HA and segid A) (resid  9 and name HN and segid A) 2.900 1.100 1.100 ! incr to 4.0 after round 4. (10 viol avg 0.111)
assign (resid  9 and name HA and segid B) (resid  9 and name HN and segid B) 2.900 1.100 1.100 ! incr to 4.0 after round 6. (7 viol avg 0.082)
assign (resid  9 and name HG and segid A) (resid  9 and name HN and segid A) 3.400 1.600 1.600 ! incr to 5.0 after round 6. (11 viol avg 0.139)
assign (resid  9 and name HG and segid B) (resid  9 and name HN and segid B) 2.900 1.100 1.100
assign (resid  9 and name HB* and segid A) (resid  9 and name HN and segid A) 2.900 1.100 1.100
assign (resid  9 and name HB* and segid B) (resid  9 and name HN and segid B) 2.900 1.100 1.100
assign (resid  9 and name HN and segid A) (resid  9 and name HA and segid A) 2.900 1.100 1.100
assign (resid  9 and name HN and segid B) (resid  9 and name HA and segid B) 2.900 1.100 1.100
assign (resid  9 and name HG and segid A) (resid  9 and name HA and segid A) 2.900 1.100 1.100
assign (resid  9 and name HG and segid B) (resid  9 and name HA and segid B) 2.900 1.100 1.100
assign (resid  9 and name HB* and segid A) (resid  9 and name HA and segid A) 2.900 1.100 1.100
assign (resid  9 and name HB* and segid B) (resid  9 and name HA and segid B) 2.900 1.100 1.100
assign (resid  9 and name HA and segid A) (resid  9 and name HB* and segid A) 2.900 1.100 1.100
assign (resid  9 and name HA and segid B) (resid  9 and name HB* and segid B) 2.900 1.100 1.100
assign (resid  9 and name HA and segid A) (resid  9 and name HG and segid A) 2.900 1.100 1.100
assign (resid  9 and name HA and segid B) (resid  9 and name HG and segid B) 2.900 1.100 1.100
assign (resid  9 and name HD** and segid A) (resid  9 and name HN and segid A) 2.900 1.100 1.100
assign (resid  9 and name HD** and segid B) (resid  9 and name HN and segid B) 2.900 1.100 1.100
assign (resid  9 and name HD** and segid A) (resid  9 and name HN and segid A) 2.900 1.100 1.100
assign (resid  9 and name HD** and segid B) (resid  9 and name HN and segid B) 2.900 1.100 1.100
assign (resid  9 and name HA and segid A) (resid  9 and name HD** and segid A) 2.900 1.100 1.100
assign (resid  9 and name HA and segid B) (resid  9 and name HD** and segid B) 2.900 1.100 1.100
assign (resid  9 and name HA and segid A) (resid  9 and name HD** and segid A) 2.900 1.100 1.100 ! incr to 4.0 after round 6. (10 viol avg 0.322)
assign (resid  9 and name HA and segid B) (resid  9 and name HD** and segid B) 2.900 1.100 1.100 ! incr to 4.0 after round 4. (11 viol avg 0.306)
assign (resid  9 and name HD** and segid A) (resid  9 and name HA and segid A) 2.900 1.100 1.100
assign (resid  9 and name HD** and segid B) (resid  9 and name HA and segid B) 2.900 1.100 1.100
assign (resid  9 and name HD** and segid A) (resid  9 and name HA and segid A) 3.400 1.600 1.600
assign (resid  9 and name HD** and segid B) (resid  9 and name HA and segid B) 3.400 1.600 1.600
assign (resid  9 and name HN and segid A) (resid  9 and name HB* and segid A) 2.900 1.100 1.100
assign (resid  9 and name HN and segid B) (resid  9 and name HB* and segid B) 2.900 1.100 1.100
assign (resid  9 and name HN and segid A) (resid  9 and name HG and segid A) 3.400 1.600 1.600 ! incr to 5.0 after round 6. (11 viol avg 0.139)
assign (resid  9 and name HN and segid B) (resid  9 and name HG and segid B) 2.900 1.100 1.100
assign (resid  9 and name HN and segid A) (resid  9 and name HD** and segid A) 2.900 1.100 1.100
assign (resid  9 and name HN and segid B) (resid  9 and name HD** and segid B) 2.900 1.100 1.100
assign (resid  9 and name HB* and segid A) (resid  9 and name HG and segid A) 3.400 1.600 1.600
assign (resid  9 and name HB* and segid B) (resid  9 and name HG and segid B) 3.400 1.600 1.600
assign (resid  9 and name HD** and segid A) (resid  9 and name HB* and segid A) 3.900 2.100 2.100
assign (resid  9 and name HD** and segid B) (resid  9 and name HB* and segid B) 3.900 2.100 2.100
 
! =========== Intraresidue contacts to residue 10 ============
assign (resid 10 and name HA and segid A) (resid 10 and name HN and segid A) 2.900 1.100 1.100
assign (resid 10 and name HA and segid B) (resid 10 and name HN and segid B) 2.900 1.100 1.100
assign (resid 10 and name HB and segid A) (resid 10 and name HN and segid A) 3.400 1.600 1.600
assign (resid 10 and name HB and segid B) (resid 10 and name HN and segid B) 3.400 1.600 1.600
assign (resid 10 and name HN and segid A) (resid 10 and name HA and segid A) 2.900 1.100 1.100
assign (resid 10 and name HN and segid B) (resid 10 and name HA and segid B) 2.900 1.100 1.100
assign (resid 10 and name HB and segid A) (resid 10 and name HA and segid A) 2.900 1.100 1.100
assign (resid 10 and name HB and segid B) (resid 10 and name HA and segid B) 2.900 1.100 1.100
assign (resid 10 and name HA and segid A) (resid 10 and name HB and segid A) 2.900 1.100 1.100
assign (resid 10 and name HA and segid B) (resid 10 and name HB and segid B) 2.900 1.100 1.100
assign (resid 10 and name HG** and segid A) (resid 10 and name HN and segid A) 2.900 1.100 1.100
assign (resid 10 and name HG** and segid B) (resid 10 and name HN and segid B) 2.900 1.100 1.100
assign (resid 10 and name HG** and segid A) (resid 10 and name HA and segid A) 3.400 1.600 1.600
assign (resid 10 and name HG** and segid B) (resid 10 and name HA and segid B) 3.400 1.600 1.600
assign (resid 10 and name HN and segid A) (resid 10 and name HB and segid A) 3.400 1.600 1.600
assign (resid 10 and name HN and segid B) (resid 10 and name HB and segid B) 3.400 1.600 1.600
assign (resid 10 and name HN and segid A) (resid 10 and name HG** and segid A) 2.900 1.100 1.100
assign (resid 10 and name HN and segid B) (resid 10 and name HG** and segid B) 2.900 1.100 1.100
assign (resid 10 and name HG** and segid A) (resid 10 and name HB and segid A) 3.400 1.600 1.600
assign (resid 10 and name HG** and segid B) (resid 10 and name HB and segid B) 3.400 1.600 1.600
assign (resid 10 and name HG** and segid A) (resid 10 and name HB and segid A) 3.400 1.600 1.600
assign (resid 10 and name HG** and segid B) (resid 10 and name HB and segid B) 3.400 1.600 1.600
 
! =========== Intraresidue contacts to residue 11 ============
assign (resid 11 and name HA and segid A) (resid 11 and name HN and segid A) 2.900 1.100 1.100
assign (resid 11 and name HA and segid B) (resid 11 and name HN and segid B) 2.900 1.100 1.100
assign (resid 11 and name HB* and segid A) (resid 11 and name HN and segid A) 2.900 1.100 1.100
assign (resid 11 and name HB* and segid B) (resid 11 and name HN and segid B) 2.900 1.100 1.100
assign (resid 11 and name HN and segid A) (resid 11 and name HA and segid A) 2.900 1.100 1.100
assign (resid 11 and name HN and segid B) (resid 11 and name HA and segid B) 2.900 1.100 1.100
assign (resid 11 and name HN and segid A) (resid 11 and name HB* and segid A) 3.400 1.600 1.600
assign (resid 11 and name HN and segid B) (resid 11 and name HB* and segid B) 3.400 1.600 1.600
assign (resid 11 and name HB* and segid A) (resid 11 and name HA and segid A) 2.900 1.100 1.100
assign (resid 11 and name HB* and segid B) (resid 11 and name HA and segid B) 2.900 1.100 1.100
assign (resid 11 and name HD* and segid A) (resid 11 and name HA and segid A) 2.900 1.100 1.100
assign (resid 11 and name HD* and segid B) (resid 11 and name HA and segid B) 2.900 1.100 1.100
assign (resid 11 and name HE* and segid A) (resid 11 and name HA and segid A) 3.900 2.100 2.100 ! incr to 6.0 after round 3. (25 viol avg 0.403)
assign (resid 11 and name HE* and segid B) (resid 11 and name HA and segid B) 3.900 2.100 2.100 ! incr to 6.0 after round 3. (32 viol avg 0.430)
assign (resid 11 and name HA and segid A) (resid 11 and name HD* and segid A) 2.900 1.100 1.100
assign (resid 11 and name HA and segid B) (resid 11 and name HD* and segid B) 2.900 1.100 1.100
assign (resid 11 and name HA and segid A) (resid 11 and name HE* and segid A) 3.900 2.100 2.100 ! incr to 6.0 after round 3. (25 viol avg 0.403)
assign (resid 11 and name HA and segid B) (resid 11 and name HE* and segid B) 3.900 2.100 2.100 ! incr to 6.0 after round 3. (32 viol avg 0.430)
! assign (resid   11 and name HE*) (resid   11 and name HE*)  3.900 1.800 6.000 ! geminal protons with same pseudoatom name
assign (resid 11 and name HN and segid A) (resid 11 and name HD* and segid A) 2.900 1.100 1.100
assign (resid 11 and name HN and segid B) (resid 11 and name HD* and segid B) 2.900 1.100 1.100
assign (resid 11 and name HN and segid A) (resid 11 and name HE* and segid A) 3.900 2.100 2.100
assign (resid 11 and name HN and segid B) (resid 11 and name HE* and segid B) 3.900 2.100 2.100
assign (resid 11 and name HD* and segid A) (resid 11 and name HE* and segid A) 3.900 2.100 2.100
assign (resid 11 and name HD* and segid B) (resid 11 and name HE* and segid B) 3.900 2.100 2.100
assign (resid 11 and name HB* and segid A) (resid 11 and name HE* and segid A) 2.900 1.100 1.100
assign (resid 11 and name HB* and segid B) (resid 11 and name HE* and segid B) 2.900 1.100 1.100
assign (resid 11 and name HB* and segid A) (resid 11 and name HD* and segid A) 3.400 1.600 1.600
assign (resid 11 and name HB* and segid B) (resid 11 and name HD* and segid B) 3.400 1.600 1.600
assign (resid 11 and name HD* and segid A) (resid 11 and name HN and segid A) 2.900 1.100 1.100
assign (resid 11 and name HD* and segid B) (resid 11 and name HN and segid B) 2.900 1.100 1.100
assign (resid 11 and name HE* and segid A) (resid 11 and name HN and segid A) 3.400 1.600 1.600 ! incr to 5.0 after round 3. (13 viol avg 0.501)
assign (resid 11 and name HE* and segid B) (resid 11 and name HN and segid B) 3.900 2.100 2.100 ! incr to 6.0 after round 6. (7 viol avg 0.111)
assign (resid 11 and name HD* and segid A) (resid 11 and name HB* and segid A) 3.400 1.600 1.600
assign (resid 11 and name HD* and segid B) (resid 11 and name HB* and segid B) 3.400 1.600 1.600
assign (resid 11 and name HE* and segid A) (resid 11 and name HB* and segid A) 2.900 1.100 1.100
assign (resid 11 and name HE* and segid B) (resid 11 and name HB* and segid B) 2.900 1.100 1.100
assign (resid 11 and name HA and segid A) (resid 11 and name HB* and segid A) 2.900 1.100 1.100
assign (resid 11 and name HA and segid B) (resid 11 and name HB* and segid B) 2.900 1.100 1.100
 
! =========== Intraresidue contacts to residue 12 ============
assign (resid 12 and name HA* and segid A) (resid 12 and name HN and segid A) 2.900 1.100 1.100
assign (resid 12 and name HA* and segid B) (resid 12 and name HN and segid B) 2.900 1.100 1.100
assign (resid 12 and name HN and segid A) (resid 12 and name HA* and segid A) 2.900 1.100 1.100
assign (resid 12 and name HN and segid B) (resid 12 and name HA* and segid B) 2.900 1.100 1.100
 
! =========== Intraresidue contacts to residue 13 ============
assign (resid 13 and name HA and segid A) (resid 13 and name HN and segid A) 2.900 1.100 1.100
assign (resid 13 and name HA and segid B) (resid 13 and name HN and segid B) 2.900 1.100 1.100
assign (resid 13 and name HG* and segid A) (resid 13 and name HN and segid A) 2.900 1.100 1.100
assign (resid 13 and name HG* and segid B) (resid 13 and name HN and segid B) 2.900 1.100 1.100
assign (resid 13 and name HG* and segid A) (resid 13 and name HN and segid A) 2.900 1.100 1.100
assign (resid 13 and name HG* and segid B) (resid 13 and name HN and segid B) 2.900 1.100 1.100
assign (resid 13 and name HB* and segid A) (resid 13 and name HN and segid A) 2.900 1.100 1.100
assign (resid 13 and name HB* and segid B) (resid 13 and name HN and segid B) 2.900 1.100 1.100
assign (resid 13 and name HB* and segid A) (resid 13 and name HN and segid A) 2.900 1.100 1.100
assign (resid 13 and name HB* and segid B) (resid 13 and name HN and segid B) 2.900 1.100 1.100
assign (resid 13 and name HN and segid A) (resid 13 and name HA and segid A) 2.900 1.100 1.100
assign (resid 13 and name HN and segid B) (resid 13 and name HA and segid B) 2.900 1.100 1.100
assign (resid 13 and name HN and segid A) (resid 13 and name HG* and segid A) 2.900 1.100 1.100
assign (resid 13 and name HN and segid B) (resid 13 and name HG* and segid B) 2.900 1.100 1.100
assign (resid 13 and name HG* and segid A) (resid 13 and name HA and segid A) 2.900 1.100 1.100
assign (resid 13 and name HG* and segid B) (resid 13 and name HA and segid B) 2.900 1.100 1.100
assign (resid 13 and name HG* and segid A) (resid 13 and name HA and segid A) 2.900 1.100 1.100
assign (resid 13 and name HG* and segid B) (resid 13 and name HA and segid B) 2.900 1.100 1.100
assign (resid 13 and name HB* and segid A) (resid 13 and name HA and segid A) 2.900 1.100 1.100
assign (resid 13 and name HB* and segid B) (resid 13 and name HA and segid B) 2.900 1.100 1.100
assign (resid 13 and name HB* and segid A) (resid 13 and name HA and segid A) 2.900 1.100 1.100
assign (resid 13 and name HB* and segid B) (resid 13 and name HA and segid B) 2.900 1.100 1.100
! assign (resid   13 and name HG*) (resid   13 and name HG*)  2.900 1.800 4.000 ! geminal protons with same pseudoatom name
assign (resid 13 and name HA and segid A) (resid 13 and name HG* and segid A) 2.900 1.100 1.100
assign (resid 13 and name HA and segid B) (resid 13 and name HG* and segid B) 2.900 1.100 1.100
assign (resid 13 and name HA and segid A) (resid 13 and name HB* and segid A) 2.900 1.100 1.100
assign (resid 13 and name HA and segid B) (resid 13 and name HB* and segid B) 2.900 1.100 1.100
assign (resid 13 and name HA and segid A) (resid 13 and name HB* and segid A) 2.900 1.100 1.100
assign (resid 13 and name HA and segid B) (resid 13 and name HB* and segid B) 2.900 1.100 1.100
assign (resid 13 and name HN and segid A) (resid 13 and name HB* and segid A) 2.900 1.100 1.100
assign (resid 13 and name HN and segid B) (resid 13 and name HB* and segid B) 2.900 1.100 1.100
assign (resid 13 and name HN and segid A) (resid 13 and name HB* and segid A) 2.900 1.100 1.100
assign (resid 13 and name HN and segid B) (resid 13 and name HB* and segid B) 2.900 1.100 1.100
assign (resid 13 and name HG* and segid A) (resid 13 and name HB* and segid A) 2.900 1.100 1.100
assign (resid 13 and name HG* and segid B) (resid 13 and name HB* and segid B) 2.900 1.100 1.100
assign (resid 13 and name HG* and segid A) (resid 13 and name HB* and segid A) 2.900 1.100 1.100
assign (resid 13 and name HG* and segid B) (resid 13 and name HB* and segid B) 2.900 1.100 1.100
assign (resid 13 and name HB* and segid A) (resid 13 and name HG* and segid A) 2.900 1.100 1.100
assign (resid 13 and name HB* and segid B) (resid 13 and name HG* and segid B) 2.900 1.100 1.100
assign (resid 13 and name HB* and segid A) (resid 13 and name HG* and segid A) 2.900 1.100 1.100
assign (resid 13 and name HB* and segid B) (resid 13 and name HG* and segid B) 2.900 1.100 1.100
 
! =========== Intraresidue contacts to residue 14 ============
assign (resid 14 and name HA and segid A) (resid 14 and name HN and segid A) 2.900 1.100 1.100
assign (resid 14 and name HA and segid B) (resid 14 and name HN and segid B) 2.900 1.100 1.100
assign (resid 14 and name HB* and segid A) (resid 14 and name HN and segid A) 2.900 1.100 1.100
assign (resid 14 and name HB* and segid B) (resid 14 and name HN and segid B) 2.900 1.100 1.100
assign (resid 14 and name HN and segid A) (resid 14 and name HA and segid A) 2.900 1.100 1.100
assign (resid 14 and name HN and segid B) (resid 14 and name HA and segid B) 2.900 1.100 1.100
assign (resid 14 and name HN and segid A) (resid 14 and name HB* and segid A) 2.900 1.100 1.100
assign (resid 14 and name HN and segid B) (resid 14 and name HB* and segid B) 2.900 1.100 1.100
assign (resid 14 and name HB* and segid A) (resid 14 and name HA and segid A) 2.900 1.100 1.100
assign (resid 14 and name HB* and segid B) (resid 14 and name HA and segid B) 2.900 1.100 1.100
assign (resid 14 and name HA and segid A) (resid 14 and name HB* and segid A) 2.900 1.100 1.100
assign (resid 14 and name HA and segid B) (resid 14 and name HB* and segid B) 2.900 1.100 1.100
 
! =========== Intraresidue contacts to residue 15 ============
assign (resid 15 and name HA and segid A) (resid 15 and name HN and segid A) 2.900 1.100 1.100
assign (resid 15 and name HA and segid B) (resid 15 and name HN and segid B) 2.900 1.100 1.100
assign (resid 15 and name HB* and segid A) (resid 15 and name HN and segid A) 2.900 1.100 1.100
assign (resid 15 and name HB* and segid B) (resid 15 and name HN and segid B) 2.900 1.100 1.100
assign (resid 15 and name HG and segid A) (resid 15 and name HN and segid A) 2.900 1.100 1.100
assign (resid 15 and name HG and segid B) (resid 15 and name HN and segid B) 2.900 1.100 1.100
assign (resid 15 and name HN and segid A) (resid 15 and name HA and segid A) 2.900 1.100 1.100
assign (resid 15 and name HN and segid B) (resid 15 and name HA and segid B) 2.900 1.100 1.100
assign (resid 15 and name HG and segid A) (resid 15 and name HA and segid A) 2.900 1.100 1.100
assign (resid 15 and name HG and segid B) (resid 15 and name HA and segid B) 2.900 1.100 1.100
assign (resid 15 and name HB* and segid A) (resid 15 and name HA and segid A) 2.900 1.100 1.100
assign (resid 15 and name HB* and segid B) (resid 15 and name HA and segid B) 2.900 1.100 1.100
assign (resid 15 and name HA and segid A) (resid 15 and name HB* and segid A) 2.900 1.100 1.100
assign (resid 15 and name HA and segid B) (resid 15 and name HB* and segid B) 2.900 1.100 1.100
assign (resid 15 and name HA and segid A) (resid 15 and name HG and segid A) 2.900 1.100 1.100
assign (resid 15 and name HA and segid B) (resid 15 and name HG and segid B) 2.900 1.100 1.100
assign (resid 15 and name HD** and segid A) (resid 15 and name HN and segid A) 2.900 1.100 1.100
assign (resid 15 and name HD** and segid B) (resid 15 and name HN and segid B) 2.900 1.100 1.100
assign (resid 15 and name HA and segid A) (resid 15 and name HD** and segid A) 2.900 1.100 1.100
assign (resid 15 and name HA and segid B) (resid 15 and name HD** and segid B) 2.900 1.100 1.100
assign (resid 15 and name HD** and segid A) (resid 15 and name HA and segid A) 3.400 1.600 1.600
assign (resid 15 and name HD** and segid B) (resid 15 and name HA and segid B) 3.400 1.600 1.600
assign (resid 15 and name HN and segid A) (resid 15 and name HG and segid A) 2.900 1.100 1.100
assign (resid 15 and name HN and segid B) (resid 15 and name HG and segid B) 2.900 1.100 1.100
assign (resid 15 and name HN and segid A) (resid 15 and name HB* and segid A) 2.900 1.100 1.100
assign (resid 15 and name HN and segid B) (resid 15 and name HB* and segid B) 2.900 1.100 1.100
assign (resid 15 and name HB* and segid A) (resid 15 and name HG and segid A) 3.400 1.600 1.600
assign (resid 15 and name HB* and segid B) (resid 15 and name HG and segid B) 3.400 1.600 1.600
 
! =========== Intraresidue contacts to residue 16 ============
assign (resid 16 and name HA and segid A) (resid 16 and name HN and segid A) 2.900 1.100 1.100
assign (resid 16 and name HA and segid B) (resid 16 and name HN and segid B) 2.900 1.100 1.100
assign (resid 16 and name HG and segid A) (resid 16 and name HN and segid A) 3.400 1.600 1.600 ! incr to 5.0 after round 6. (8 viol avg 0.134)
assign (resid 16 and name HG and segid B) (resid 16 and name HN and segid B) 3.400 1.600 1.600 ! incr to 5.0 after round 6. (7 viol avg 0.085)
assign (resid 16 and name HB* and segid A) (resid 16 and name HN and segid A) 2.900 1.100 1.100
assign (resid 16 and name HB* and segid B) (resid 16 and name HN and segid B) 2.900 1.100 1.100
assign (resid 16 and name HN and segid A) (resid 16 and name HA and segid A) 2.900 1.100 1.100
assign (resid 16 and name HN and segid B) (resid 16 and name HA and segid B) 2.900 1.100 1.100
assign (resid 16 and name HG and segid A) (resid 16 and name HA and segid A) 2.900 1.100 1.100
assign (resid 16 and name HG and segid B) (resid 16 and name HA and segid B) 2.900 1.100 1.100
assign (resid 16 and name HB* and segid A) (resid 16 and name HA and segid A) 3.400 1.600 1.600
assign (resid 16 and name HB* and segid B) (resid 16 and name HA and segid B) 3.400 1.600 1.600
assign (resid 16 and name HA and segid A) (resid 16 and name HB* and segid A) 2.900 1.100 1.100
assign (resid 16 and name HA and segid B) (resid 16 and name HB* and segid B) 2.900 1.100 1.100
assign (resid 16 and name HA and segid A) (resid 16 and name HG and segid A) 2.900 1.100 1.100
assign (resid 16 and name HA and segid B) (resid 16 and name HG and segid B) 2.900 1.100 1.100
assign (resid 16 and name HD** and segid A) (resid 16 and name HN and segid A) 2.900 1.100 1.100
assign (resid 16 and name HD** and segid B) (resid 16 and name HN and segid B) 2.900 1.100 1.100
assign (resid 16 and name HN and segid A) (resid 16 and name HB* and segid A) 2.900 1.100 1.100
assign (resid 16 and name HN and segid B) (resid 16 and name HB* and segid B) 2.900 1.100 1.100
assign (resid 16 and name HN and segid A) (resid 16 and name HD** and segid A) 3.400 1.600 1.600
assign (resid 16 and name HN and segid B) (resid 16 and name HD** and segid B) 3.400 1.600 1.600
assign (resid 16 and name HN and segid A) (resid 16 and name HG and segid A) 3.400 1.600 1.600 ! incr to 5.0 after round 6. (8 viol avg 0.134)
assign (resid 16 and name HN and segid B) (resid 16 and name HG and segid B) 3.400 1.600 1.600 ! incr to 5.0 after round 6. (7 viol avg 0.085)
 
! =========== Intraresidue contacts to residue 17 ============
assign (resid 17 and name HN and segid A) (resid 17 and name HD2* and segid A) 2.300 0.500 0.500
assign (resid 17 and name HN and segid B) (resid 17 and name HD2* and segid B) 2.300 0.500 0.500
assign (resid 17 and name HD2* and segid A) (resid 17 and name HN and segid A) 2.300 0.500 0.500
assign (resid 17 and name HD2* and segid B) (resid 17 and name HN and segid B) 2.300 0.500 0.500
assign (resid 17 and name HA and segid A) (resid 17 and name HN and segid A) 2.900 1.100 1.100
assign (resid 17 and name HA and segid B) (resid 17 and name HN and segid B) 2.900 1.100 1.100
assign (resid 17 and name HA and segid A) (resid 17 and name HD2* and segid A) 2.900 1.100 1.100 ! incr to 4.0 after round 2. (21 viol avg 0.729)
assign (resid 17 and name HA and segid B) (resid 17 and name HD2* and segid B) 2.900 1.100 1.100 ! incr to 4.0 after round 3. (16 viol avg 0.441)
assign (resid 17 and name HB* and segid A) (resid 17 and name HN and segid A) 2.900 1.100 1.100
assign (resid 17 and name HB* and segid B) (resid 17 and name HN and segid B) 2.900 1.100 1.100
assign (resid 17 and name HB* and segid A) (resid 17 and name HN and segid A) 2.900 1.100 1.100
assign (resid 17 and name HB* and segid B) (resid 17 and name HN and segid B) 2.900 1.100 1.100
assign (resid 17 and name HN and segid A) (resid 17 and name HA and segid A) 2.900 1.100 1.100
assign (resid 17 and name HN and segid B) (resid 17 and name HA and segid B) 2.900 1.100 1.100
assign (resid 17 and name HN and segid A) (resid 17 and name HB* and segid A) 2.900 1.100 1.100
assign (resid 17 and name HN and segid B) (resid 17 and name HB* and segid B) 2.900 1.100 1.100
assign (resid 17 and name HN and segid A) (resid 17 and name HB* and segid A) 2.900 1.100 1.100
assign (resid 17 and name HN and segid B) (resid 17 and name HB* and segid B) 2.900 1.100 1.100
assign (resid 17 and name HB* and segid A) (resid 17 and name HA and segid A) 2.900 1.100 1.100
assign (resid 17 and name HB* and segid B) (resid 17 and name HA and segid B) 2.900 1.100 1.100
assign (resid 17 and name HB* and segid A) (resid 17 and name HA and segid A) 3.400 1.600 1.600
assign (resid 17 and name HB* and segid B) (resid 17 and name HA and segid B) 3.400 1.600 1.600
assign (resid 17 and name HA and segid A) (resid 17 and name HB* and segid A) 2.900 1.100 1.100
assign (resid 17 and name HA and segid B) (resid 17 and name HB* and segid B) 2.900 1.100 1.100
assign (resid 17 and name HA and segid A) (resid 17 and name HB* and segid A) 2.900 1.100 1.100
assign (resid 17 and name HA and segid B) (resid 17 and name HB* and segid B) 2.900 1.100 1.100
assign (resid 17 and name HD2* and segid A) (resid 17 and name HB* and segid A) 2.900 1.100 1.100
assign (resid 17 and name HD2* and segid B) (resid 17 and name HB* and segid B) 2.900 1.100 1.100
assign (resid 17 and name HD2* and segid A) (resid 17 and name HB* and segid A) 2.900 1.100 1.100
assign (resid 17 and name HD2* and segid B) (resid 17 and name HB* and segid B) 2.900 1.100 1.100
assign (resid 17 and name HD2* and segid A) (resid 17 and name HB* and segid A) 2.900 1.100 1.100
assign (resid 17 and name HD2* and segid B) (resid 17 and name HB* and segid B) 2.900 1.100 1.100
assign (resid 17 and name HD2* and segid A) (resid 17 and name HB* and segid A) 2.900 1.100 1.100
assign (resid 17 and name HD2* and segid B) (resid 17 and name HB* and segid B) 2.900 1.100 1.100
assign (resid 17 and name HD2* and segid A) (resid 17 and name HA and segid A) 2.900 1.100 1.100
assign (resid 17 and name HD2* and segid B) (resid 17 and name HA and segid B) 2.900 1.100 1.100
assign (resid 17 and name HD2* and segid A) (resid 17 and name HA and segid A) 2.900 1.100 1.100
assign (resid 17 and name HD2* and segid B) (resid 17 and name HA and segid B) 2.900 1.100 1.100
assign (resid 17 and name HA and segid A) (resid 17 and name HD2* and segid A) 3.400 1.600 1.600
assign (resid 17 and name HA and segid B) (resid 17 and name HD2* and segid B) 3.400 1.600 1.600
! assign (resid   17 and name HD2*) (resid   17 and name HD2*)  3.400 1.800 5.000 ! geminal protons with same pseudoatom name
! assign (resid   17 and name HD2*) (resid   17 and name HD2*)  3.400 1.800 5.000 ! geminal protons with same pseudoatom name
assign (resid 17 and name HB* and segid A) (resid 17 and name HD2* and segid A) 2.900 1.100 1.100
assign (resid 17 and name HB* and segid B) (resid 17 and name HD2* and segid B) 2.900 1.100 1.100
assign (resid 17 and name HB* and segid A) (resid 17 and name HD2* and segid A) 2.900 1.100 1.100
assign (resid 17 and name HB* and segid B) (resid 17 and name HD2* and segid B) 2.900 1.100 1.100
assign (resid 17 and name HD2* and segid A) (resid 17 and name HN and segid A) 2.900 1.100 1.100
assign (resid 17 and name HD2* and segid B) (resid 17 and name HN and segid B) 2.900 1.100 1.100
assign (resid 17 and name HB* and segid A) (resid 17 and name HD2* and segid A) 2.900 1.100 1.100
assign (resid 17 and name HB* and segid B) (resid 17 and name HD2* and segid B) 2.900 1.100 1.100
assign (resid 17 and name HB* and segid A) (resid 17 and name HD2* and segid A) 2.900 1.100 1.100
assign (resid 17 and name HB* and segid B) (resid 17 and name HD2* and segid B) 2.900 1.100 1.100
 
! =========== Intraresidue contacts to residue 18 ============
assign (resid 18 and name HA and segid A) (resid 18 and name HN and segid A) 2.900 1.100 1.100
assign (resid 18 and name HA and segid B) (resid 18 and name HN and segid B) 2.900 1.100 1.100
assign (resid 18 and name HB* and segid A) (resid 18 and name HN and segid A) 2.900 1.100 1.100
assign (resid 18 and name HB* and segid B) (resid 18 and name HN and segid B) 2.900 1.100 1.100
assign (resid 18 and name HB* and segid A) (resid 18 and name HN and segid A) 2.900 1.100 1.100
assign (resid 18 and name HB* and segid B) (resid 18 and name HN and segid B) 2.900 1.100 1.100
assign (resid 18 and name HN and segid A) (resid 18 and name HA and segid A) 2.900 1.100 1.100
assign (resid 18 and name HN and segid B) (resid 18 and name HA and segid B) 2.900 1.100 1.100
assign (resid 18 and name HN and segid A) (resid 18 and name HB* and segid A) 2.900 1.100 1.100
assign (resid 18 and name HN and segid B) (resid 18 and name HB* and segid B) 2.900 1.100 1.100
assign (resid 18 and name HN and segid A) (resid 18 and name HB* and segid A) 2.900 1.100 1.100
assign (resid 18 and name HN and segid B) (resid 18 and name HB* and segid B) 2.900 1.100 1.100
assign (resid 18 and name HN and segid A) (resid 18 and name HB* and segid A) 2.900 1.100 1.100
assign (resid 18 and name HN and segid B) (resid 18 and name HB* and segid B) 2.900 1.100 1.100
assign (resid 18 and name HB* and segid A) (resid 18 and name HA and segid A) 2.900 1.100 1.100
assign (resid 18 and name HB* and segid B) (resid 18 and name HA and segid B) 2.900 1.100 1.100
assign (resid 18 and name HB* and segid A) (resid 18 and name HA and segid A) 2.900 1.100 1.100
assign (resid 18 and name HB* and segid B) (resid 18 and name HA and segid B) 2.900 1.100 1.100
! assign (resid   18 and name HB*) (resid   18 and name HB*)  2.900 1.800 4.000 ! geminal protons with same pseudoatom name
assign (resid 18 and name HA and segid A) (resid 18 and name HB* and segid A) 2.900 1.100 1.100
assign (resid 18 and name HA and segid B) (resid 18 and name HB* and segid B) 2.900 1.100 1.100
assign (resid 18 and name HA and segid A) (resid 18 and name HB* and segid A) 2.300 0.500 0.500
assign (resid 18 and name HA and segid B) (resid 18 and name HB* and segid B) 2.300 0.500 0.500
assign (resid 18 and name HA and segid A) (resid 18 and name HB* and segid A) 2.900 1.100 1.100
assign (resid 18 and name HA and segid B) (resid 18 and name HB* and segid B) 2.900 1.100 1.100
 
! =========== Intraresidue contacts to residue 19 ============
assign (resid 19 and name HA and segid A) (resid 19 and name HN and segid A) 3.400 1.600 1.600
assign (resid 19 and name HA and segid B) (resid 19 and name HN and segid B) 3.400 1.600 1.600
assign (resid 19 and name HB* and segid A) (resid 19 and name HN and segid A) 3.400 1.600 1.600
assign (resid 19 and name HB* and segid B) (resid 19 and name HN and segid B) 3.400 1.600 1.600
assign (resid 19 and name HN and segid A) (resid 19 and name HA and segid A) 3.400 1.600 1.600
assign (resid 19 and name HN and segid B) (resid 19 and name HA and segid B) 3.400 1.600 1.600
assign (resid 19 and name HB* and segid A) (resid 19 and name HA and segid A) 3.400 1.600 1.600
assign (resid 19 and name HB* and segid B) (resid 19 and name HA and segid B) 3.400 1.600 1.600
assign (resid 19 and name HA and segid A) (resid 19 and name HB* and segid A) 3.400 1.600 1.600
assign (resid 19 and name HA and segid B) (resid 19 and name HB* and segid B) 3.400 1.600 1.600
assign (resid 19 and name HN and segid A) (resid 19 and name HB* and segid A) 3.400 1.600 1.600
assign (resid 19 and name HN and segid B) (resid 19 and name HB* and segid B) 3.400 1.600 1.600
 
! =========== Intraresidue contacts to residue 20 ============
assign (resid 20 and name HA and segid A) (resid 20 and name HN and segid A) 2.900 1.100 1.100
assign (resid 20 and name HA and segid B) (resid 20 and name HN and segid B) 2.900 1.100 1.100
assign (resid 20 and name HB and segid A) (resid 20 and name HN and segid A) 2.900 1.100 1.100
assign (resid 20 and name HB and segid B) (resid 20 and name HN and segid B) 2.900 1.100 1.100
assign (resid 20 and name HG** and segid A) (resid 20 and name HN and segid A) 3.400 1.600 1.600
assign (resid 20 and name HG** and segid B) (resid 20 and name HN and segid B) 3.400 1.600 1.600
assign (resid 20 and name HN and segid A) (resid 20 and name HA and segid A) 2.900 1.100 1.100
assign (resid 20 and name HN and segid B) (resid 20 and name HA and segid B) 2.900 1.100 1.100
assign (resid 20 and name HB and segid A) (resid 20 and name HA and segid A) 2.900 1.100 1.100
assign (resid 20 and name HB and segid B) (resid 20 and name HA and segid B) 2.900 1.100 1.100
assign (resid 20 and name HG** and segid A) (resid 20 and name HA and segid A) 3.400 1.600 1.600
assign (resid 20 and name HG** and segid B) (resid 20 and name HA and segid B) 3.400 1.600 1.600
assign (resid 20 and name HA and segid A) (resid 20 and name HB and segid A) 2.900 1.100 1.100
assign (resid 20 and name HA and segid B) (resid 20 and name HB and segid B) 2.900 1.100 1.100
assign (resid 20 and name HN and segid A) (resid 20 and name HB and segid A) 2.900 1.100 1.100
assign (resid 20 and name HN and segid B) (resid 20 and name HB and segid B) 2.900 1.100 1.100
assign (resid 20 and name HG** and segid A) (resid 20 and name HN and segid A) 2.900 1.100 1.100
assign (resid 20 and name HG** and segid B) (resid 20 and name HN and segid B) 2.900 1.100 1.100
assign (resid 20 and name HG** and segid A) (resid 20 and name HA and segid A) 2.900 1.100 1.100
assign (resid 20 and name HG** and segid B) (resid 20 and name HA and segid B) 2.900 1.100 1.100
assign (resid 20 and name HN and segid A) (resid 20 and name HG** and segid A) 2.900 1.100 1.100
assign (resid 20 and name HN and segid B) (resid 20 and name HG** and segid B) 2.900 1.100 1.100
assign (resid 20 and name HN and segid A) (resid 20 and name HG** and segid A) 2.900 1.100 1.100
assign (resid 20 and name HN and segid B) (resid 20 and name HG** and segid B) 2.900 1.100 1.100
assign (resid 20 and name HG** and segid A) (resid 20 and name HB and segid A) 3.900 2.100 2.100
assign (resid 20 and name HG** and segid B) (resid 20 and name HB and segid B) 3.900 2.100 2.100
assign (resid 20 and name HG** and segid A) (resid 20 and name HB and segid A) 3.400 1.600 1.600
assign (resid 20 and name HG** and segid B) (resid 20 and name HB and segid B) 3.400 1.600 1.600
 
! =========== Intraresidue contacts to residue 21 ============
assign (resid 21 and name HB and segid A) (resid 21 and name HN and segid A) 2.900 1.100 1.100
assign (resid 21 and name HB and segid B) (resid 21 and name HN and segid B) 2.900 1.100 1.100
assign (resid 21 and name HA and segid A) (resid 21 and name HN and segid A) 2.900 1.100 1.100
assign (resid 21 and name HA and segid B) (resid 21 and name HN and segid B) 2.900 1.100 1.100
assign (resid 21 and name HG2* and segid A) (resid 21 and name HN and segid A) 2.900 1.100 1.100
assign (resid 21 and name HG2* and segid B) (resid 21 and name HN and segid B) 2.900 1.100 1.100
assign (resid 21 and name HN and segid A) (resid 21 and name HB and segid A) 2.900 1.100 1.100
assign (resid 21 and name HN and segid B) (resid 21 and name HB and segid B) 2.900 1.100 1.100
assign (resid 21 and name HN and segid A) (resid 21 and name HA and segid A) 2.900 1.100 1.100
assign (resid 21 and name HN and segid B) (resid 21 and name HA and segid B) 2.900 1.100 1.100
assign (resid 21 and name HA and segid A) (resid 21 and name HB and segid A) 2.900 1.100 1.100
assign (resid 21 and name HA and segid B) (resid 21 and name HB and segid B) 2.900 1.100 1.100
assign (resid 21 and name HG2* and segid A) (resid 21 and name HB and segid A) 2.900 1.100 1.100
assign (resid 21 and name HG2* and segid B) (resid 21 and name HB and segid B) 2.900 1.100 1.100
assign (resid 21 and name HG2* and segid A) (resid 21 and name HA and segid A) 2.900 1.100 1.100
assign (resid 21 and name HG2* and segid B) (resid 21 and name HA and segid B) 2.900 1.100 1.100
assign (resid 21 and name HB and segid A) (resid 21 and name HA and segid A) 2.900 1.100 1.100
assign (resid 21 and name HB and segid B) (resid 21 and name HA and segid B) 2.900 1.100 1.100
assign (resid 21 and name HB and segid A) (resid 21 and name HG2* and segid A) 2.900 1.100 1.100
assign (resid 21 and name HB and segid B) (resid 21 and name HG2* and segid B) 2.900 1.100 1.100
assign (resid 21 and name HN and segid A) (resid 21 and name HG2* and segid A) 2.900 1.100 1.100
assign (resid 21 and name HN and segid B) (resid 21 and name HG2* and segid B) 2.900 1.100 1.100
assign (resid 21 and name HA and segid A) (resid 21 and name HG2* and segid A) 2.900 1.100 1.100
assign (resid 21 and name HA and segid B) (resid 21 and name HG2* and segid B) 2.900 1.100 1.100
 
! =========== Intraresidue contacts to residue 22 ============
assign (resid 22 and name HA and segid A) (resid 22 and name HN and segid A) 2.900 1.100 1.100
assign (resid 22 and name HA and segid B) (resid 22 and name HN and segid B) 2.900 1.100 1.100
assign (resid 22 and name HB and segid A) (resid 22 and name HN and segid A) 2.900 1.100 1.100
assign (resid 22 and name HB and segid B) (resid 22 and name HN and segid B) 2.900 1.100 1.100
assign (resid 22 and name HN and segid A) (resid 22 and name HA and segid A) 2.900 1.100 1.100
assign (resid 22 and name HN and segid B) (resid 22 and name HA and segid B) 2.900 1.100 1.100
assign (resid 22 and name HN and segid A) (resid 22 and name HB and segid A) 2.900 1.100 1.100
assign (resid 22 and name HN and segid B) (resid 22 and name HB and segid B) 2.900 1.100 1.100
assign (resid 22 and name HA and segid A) (resid 22 and name HB and segid A) 2.900 1.100 1.100
assign (resid 22 and name HA and segid B) (resid 22 and name HB and segid B) 2.900 1.100 1.100
assign (resid 22 and name HG** and segid A) (resid 22 and name HN and segid A) 2.900 1.100 1.100
assign (resid 22 and name HG** and segid B) (resid 22 and name HN and segid B) 2.900 1.100 1.100
assign (resid 22 and name HG** and segid A) (resid 22 and name HN and segid A) 3.400 1.600 1.600
assign (resid 22 and name HG** and segid B) (resid 22 and name HN and segid B) 3.400 1.600 1.600
assign (resid 22 and name HG** and segid A) (resid 22 and name HA and segid A) 3.400 1.600 1.600
assign (resid 22 and name HG** and segid B) (resid 22 and name HA and segid B) 3.400 1.600 1.600
assign (resid 22 and name HG** and segid A) (resid 22 and name HA and segid A) 3.400 1.600 1.600
assign (resid 22 and name HG** and segid B) (resid 22 and name HA and segid B) 3.400 1.600 1.600
assign (resid 22 and name HB and segid A) (resid 22 and name HA and segid A) 2.900 1.100 1.100
assign (resid 22 and name HB and segid B) (resid 22 and name HA and segid B) 2.900 1.100 1.100
assign (resid 22 and name HN and segid A) (resid 22 and name HG** and segid A) 3.400 1.600 1.600
assign (resid 22 and name HN and segid B) (resid 22 and name HG** and segid B) 3.400 1.600 1.600
assign (resid 22 and name HG** and segid A) (resid 22 and name HB and segid A) 3.400 1.600 1.600
assign (resid 22 and name HG** and segid B) (resid 22 and name HB and segid B) 3.400 1.600 1.600
assign (resid 22 and name HN and segid A) (resid 22 and name HG** and segid A) 2.900 1.100 1.100
assign (resid 22 and name HN and segid B) (resid 22 and name HG** and segid B) 2.900 1.100 1.100
 
! =========== Intraresidue contacts to residue 23 ============
assign (resid 23 and name HA and segid A) (resid 23 and name HN and segid A) 2.900 1.100 1.100
assign (resid 23 and name HA and segid B) (resid 23 and name HN and segid B) 2.900 1.100 1.100
assign (resid 23 and name HB and segid A) (resid 23 and name HN and segid A) 2.900 1.100 1.100
assign (resid 23 and name HB and segid B) (resid 23 and name HN and segid B) 2.900 1.100 1.100
assign (resid 23 and name HN and segid A) (resid 23 and name HA and segid A) 2.900 1.100 1.100
assign (resid 23 and name HN and segid B) (resid 23 and name HA and segid B) 2.900 1.100 1.100
assign (resid 23 and name HA and segid A) (resid 23 and name HB and segid A) 2.900 1.100 1.100
assign (resid 23 and name HA and segid B) (resid 23 and name HB and segid B) 2.900 1.100 1.100
assign (resid 23 and name HG** and segid A) (resid 23 and name HN and segid A) 3.400 1.600 1.600
assign (resid 23 and name HG** and segid B) (resid 23 and name HN and segid B) 3.400 1.600 1.600
assign (resid 23 and name HG** and segid A) (resid 23 and name HN and segid A) 2.900 1.100 1.100
assign (resid 23 and name HG** and segid B) (resid 23 and name HN and segid B) 2.900 1.100 1.100
assign (resid 23 and name HG** and segid A) (resid 23 and name HA and segid A) 3.400 1.600 1.600
assign (resid 23 and name HG** and segid B) (resid 23 and name HA and segid B) 3.400 1.600 1.600
assign (resid 23 and name HG** and segid A) (resid 23 and name HA and segid A) 3.400 1.600 1.600
assign (resid 23 and name HG** and segid B) (resid 23 and name HA and segid B) 3.400 1.600 1.600
assign (resid 23 and name HB and segid A) (resid 23 and name HA and segid A) 2.900 1.100 1.100
assign (resid 23 and name HB and segid B) (resid 23 and name HA and segid B) 2.900 1.100 1.100
assign (resid 23 and name HN and segid A) (resid 23 and name HB and segid A) 2.900 1.100 1.100
assign (resid 23 and name HN and segid B) (resid 23 and name HB and segid B) 2.900 1.100 1.100
assign (resid 23 and name HN and segid A) (resid 23 and name HG** and segid A) 3.400 1.600 1.600
assign (resid 23 and name HN and segid B) (resid 23 and name HG** and segid B) 3.400 1.600 1.600
assign (resid 23 and name HN and segid A) (resid 23 and name HG** and segid A) 3.400 1.600 1.600
assign (resid 23 and name HN and segid B) (resid 23 and name HG** and segid B) 3.400 1.600 1.600
assign (resid 23 and name HG** and segid A) (resid 23 and name HB and segid A) 3.400 1.600 1.600
assign (resid 23 and name HG** and segid B) (resid 23 and name HB and segid B) 3.400 1.600 1.600
assign (resid 23 and name HG** and segid A) (resid 23 and name HB and segid A) 3.400 1.600 1.600
assign (resid 23 and name HG** and segid B) (resid 23 and name HB and segid B) 3.400 1.600 1.600
 
! =========== Intraresidue contacts to residue 24 ============
assign (resid 24 and name HA and segid A) (resid 24 and name HN and segid A) 2.900 1.100 1.100
assign (resid 24 and name HA and segid B) (resid 24 and name HN and segid B) 2.900 1.100 1.100
assign (resid 24 and name HB* and segid A) (resid 24 and name HN and segid A) 2.900 1.100 1.100
assign (resid 24 and name HB* and segid B) (resid 24 and name HN and segid B) 2.900 1.100 1.100
assign (resid 24 and name HN and segid A) (resid 24 and name HA and segid A) 2.900 1.100 1.100
assign (resid 24 and name HN and segid B) (resid 24 and name HA and segid B) 2.900 1.100 1.100
assign (resid 24 and name HB* and segid A) (resid 24 and name HA and segid A) 2.900 1.100 1.100
assign (resid 24 and name HB* and segid B) (resid 24 and name HA and segid B) 2.900 1.100 1.100
assign (resid 24 and name HG and segid A) (resid 24 and name HA and segid A) 2.900 1.100 1.100
assign (resid 24 and name HG and segid B) (resid 24 and name HA and segid B) 2.900 1.100 1.100
assign (resid 24 and name HA and segid A) (resid 24 and name HB* and segid A) 2.900 1.100 1.100
assign (resid 24 and name HA and segid B) (resid 24 and name HB* and segid B) 2.900 1.100 1.100
assign (resid 24 and name HA and segid A) (resid 24 and name HG and segid A) 2.900 1.100 1.100
assign (resid 24 and name HA and segid B) (resid 24 and name HG and segid B) 2.900 1.100 1.100
assign (resid 24 and name HN and segid A) (resid 24 and name HG and segid A) 3.400 1.600 1.600 ! incr to 5.0 after round 3. (14 viol avg 0.402)
assign (resid 24 and name HN and segid B) (resid 24 and name HG and segid B) 3.400 1.600 1.600 ! incr to 5.0 after round 3. (11 viol avg 0.354)
assign (resid 24 and name HG and segid A) (resid 24 and name HN and segid A) 3.400 1.600 1.600 ! incr to 5.0 after round 3. (14 viol avg 0.402)
assign (resid 24 and name HG and segid B) (resid 24 and name HN and segid B) 3.400 1.600 1.600 ! incr to 5.0 after round 3. (11 viol avg 0.354)
assign (resid 24 and name HB* and segid A) (resid 24 and name HG and segid A) 3.400 1.600 1.600
assign (resid 24 and name HB* and segid B) (resid 24 and name HG and segid B) 3.400 1.600 1.600
assign (resid 24 and name HA and segid A) (resid 24 and name HD** and segid A) 2.900 1.100 1.100
assign (resid 24 and name HA and segid B) (resid 24 and name HD** and segid B) 2.900 1.100 1.100
assign (resid 24 and name HA and segid A) (resid 24 and name HD** and segid A) 2.900 1.100 1.100
assign (resid 24 and name HA and segid B) (resid 24 and name HD** and segid B) 2.900 1.100 1.100
assign (resid 24 and name HD** and segid A) (resid 24 and name HN and segid A) 2.900 1.100 1.100
assign (resid 24 and name HD** and segid B) (resid 24 and name HN and segid B) 2.900 1.100 1.100
assign (resid 24 and name HD** and segid A) (resid 24 and name HN and segid A) 2.900 1.100 1.100
assign (resid 24 and name HD** and segid B) (resid 24 and name HN and segid B) 2.900 1.100 1.100
assign (resid 24 and name HG and segid A) (resid 24 and name HB* and segid A) 3.400 1.600 1.600
assign (resid 24 and name HG and segid B) (resid 24 and name HB* and segid B) 3.400 1.600 1.600
assign (resid 24 and name HD** and segid A) (resid 24 and name HA and segid A) 3.400 1.600 1.600
assign (resid 24 and name HD** and segid B) (resid 24 and name HA and segid B) 3.400 1.600 1.600
assign (resid 24 and name HD** and segid A) (resid 24 and name HA and segid A) 2.900 1.100 1.100
assign (resid 24 and name HD** and segid B) (resid 24 and name HA and segid B) 2.900 1.100 1.100
assign (resid 24 and name HN and segid A) (resid 24 and name HD** and segid A) 2.900 1.100 1.100
assign (resid 24 and name HN and segid B) (resid 24 and name HD** and segid B) 2.900 1.100 1.100
assign (resid 24 and name HN and segid A) (resid 24 and name HD** and segid A) 2.900 1.100 1.100
assign (resid 24 and name HN and segid B) (resid 24 and name HD** and segid B) 2.900 1.100 1.100
assign (resid 24 and name HN and segid A) (resid 24 and name HB* and segid A) 2.900 1.100 1.100
assign (resid 24 and name HN and segid B) (resid 24 and name HB* and segid B) 2.900 1.100 1.100
 
! =========== Intraresidue contacts to residue 25 ============
assign (resid 25 and name HA and segid A) (resid 25 and name HN and segid A) 2.900 1.100 1.100
assign (resid 25 and name HA and segid B) (resid 25 and name HN and segid B) 2.900 1.100 1.100
assign (resid 25 and name HB* and segid A) (resid 25 and name HN and segid A) 2.900 1.100 1.100
assign (resid 25 and name HB* and segid B) (resid 25 and name HN and segid B) 2.900 1.100 1.100
assign (resid 25 and name HN and segid A) (resid 25 and name HA and segid A) 2.900 1.100 1.100
assign (resid 25 and name HN and segid B) (resid 25 and name HA and segid B) 2.900 1.100 1.100
assign (resid 25 and name HN and segid A) (resid 25 and name HB* and segid A) 2.900 1.100 1.100
assign (resid 25 and name HN and segid B) (resid 25 and name HB* and segid B) 2.900 1.100 1.100
assign (resid 25 and name HA and segid A) (resid 25 and name HB* and segid A) 3.900 2.100 2.100
assign (resid 25 and name HA and segid B) (resid 25 and name HB* and segid B) 3.900 2.100 2.100
assign (resid 25 and name HB* and segid A) (resid 25 and name HA and segid A) 2.900 1.100 1.100
assign (resid 25 and name HB* and segid B) (resid 25 and name HA and segid B) 2.900 1.100 1.100
assign (resid 25 and name HD* and segid A) (resid 25 and name HA and segid A) 2.900 1.100 1.100
assign (resid 25 and name HD* and segid B) (resid 25 and name HA and segid B) 2.900 1.100 1.100
assign (resid 25 and name HA and segid A) (resid 25 and name HE* and segid A) 3.900 2.100 2.100 ! incr to 6.0 after round 3. (13 viol avg 0.412)
assign (resid 25 and name HA and segid B) (resid 25 and name HE* and segid B) 3.900 2.100 2.100 ! incr to 6.0 after round 3. (22 viol avg 0.410)
assign (resid 25 and name HA and segid A) (resid 25 and name HD* and segid A) 2.900 1.100 1.100
assign (resid 25 and name HA and segid B) (resid 25 and name HD* and segid B) 2.900 1.100 1.100
assign (resid 25 and name HN and segid A) (resid 25 and name HD* and segid A) 2.900 1.100 1.100
assign (resid 25 and name HN and segid B) (resid 25 and name HD* and segid B) 2.900 1.100 1.100
assign (resid 25 and name HB* and segid A) (resid 25 and name HD* and segid A) 3.400 1.600 1.600
assign (resid 25 and name HB* and segid B) (resid 25 and name HD* and segid B) 3.400 1.600 1.600
assign (resid 25 and name HD* and segid A) (resid 25 and name HN and segid A) 2.900 1.100 1.100
assign (resid 25 and name HD* and segid B) (resid 25 and name HN and segid B) 2.900 1.100 1.100
assign (resid 25 and name HE* and segid A) (resid 25 and name HD* and segid A) 3.400 1.600 1.600
assign (resid 25 and name HE* and segid B) (resid 25 and name HD* and segid B) 3.400 1.600 1.600
assign (resid 25 and name HB* and segid A) (resid 25 and name HD* and segid A) 2.900 1.100 1.100
assign (resid 25 and name HB* and segid B) (resid 25 and name HD* and segid B) 2.900 1.100 1.100
assign (resid 25 and name HD* and segid A) (resid 25 and name HB* and segid A) 3.400 1.600 1.600
assign (resid 25 and name HD* and segid B) (resid 25 and name HB* and segid B) 3.400 1.600 1.600
assign (resid 25 and name HN and segid A) (resid 25 and name HB* and segid A) 2.900 1.100 1.100
assign (resid 25 and name HN and segid B) (resid 25 and name HB* and segid B) 2.900 1.100 1.100
assign (resid 25 and name HE* and segid A) (resid 25 and name HN and segid A) 3.400 1.600 1.600 ! incr to 5.0 after round 2. (21 viol avg 0.869)
assign (resid 25 and name HE* and segid B) (resid 25 and name HN and segid B) 3.900 2.100 2.100 ! incr to 6.0 after round 3. (11 viol avg 0.346)
assign (resid 25 and name HE* and segid A) (resid 25 and name HB* and segid A) 2.900 1.100 1.100 ! incr to 4.0 after round 1. (60 viol avg 0.982)
assign (resid 25 and name HE* and segid B) (resid 25 and name HB* and segid B) 2.900 1.100 1.100 ! incr to 4.0 after round 1. (60 viol avg 0.978)
assign (resid 25 and name HE* and segid A) (resid 25 and name HB* and segid A) 2.900 1.100 1.100 ! incr to 4.0 after round 1. (60 viol avg 0.982)
assign (resid 25 and name HE* and segid B) (resid 25 and name HB* and segid B) 2.900 1.100 1.100 ! incr to 4.0 after round 1. (60 viol avg 0.978)
assign (resid 25 and name HE* and segid A) (resid 25 and name HA and segid A) 3.900 2.100 2.100 ! incr to 6.0 after round 3. (13 viol avg 0.412)
assign (resid 25 and name HE* and segid B) (resid 25 and name HA and segid B) 3.900 2.100 2.100 ! incr to 6.0 after round 3. (22 viol avg 0.410)
 
! =========== Intraresidue contacts to residue 26 ============
assign (resid 26 and name HA and segid A) (resid 26 and name HN and segid A) 2.900 1.100 1.100
assign (resid 26 and name HA and segid B) (resid 26 and name HN and segid B) 2.900 1.100 1.100
assign (resid 26 and name HB* and segid A) (resid 26 and name HN and segid A) 2.900 1.100 1.100
assign (resid 26 and name HB* and segid B) (resid 26 and name HN and segid B) 2.900 1.100 1.100
assign (resid 26 and name HN and segid A) (resid 26 and name HA and segid A) 2.900 1.100 1.100
assign (resid 26 and name HN and segid B) (resid 26 and name HA and segid B) 2.900 1.100 1.100
assign (resid 26 and name HB* and segid A) (resid 26 and name HA and segid A) 3.400 1.600 1.600
assign (resid 26 and name HB* and segid B) (resid 26 and name HA and segid B) 3.400 1.600 1.600
assign (resid 26 and name HD* and segid A) (resid 26 and name HA and segid A) 2.900 1.100 1.100
assign (resid 26 and name HD* and segid B) (resid 26 and name HA and segid B) 2.900 1.100 1.100
assign (resid 26 and name HG* and segid A) (resid 26 and name HA and segid A) 3.400 1.600 1.600
assign (resid 26 and name HG* and segid B) (resid 26 and name HA and segid B) 3.400 1.600 1.600
assign (resid 26 and name HB* and segid A) (resid 26 and name HE* and segid A) 2.900 1.100 1.100
assign (resid 26 and name HB* and segid B) (resid 26 and name HE* and segid B) 2.900 1.100 1.100
assign (resid 26 and name HA and segid A) (resid 26 and name HB* and segid A) 3.400 1.600 1.600
assign (resid 26 and name HA and segid B) (resid 26 and name HB* and segid B) 3.400 1.600 1.600
assign (resid 26 and name HA and segid A) (resid 26 and name HD* and segid A) 2.900 1.100 1.100
assign (resid 26 and name HA and segid B) (resid 26 and name HD* and segid B) 2.900 1.100 1.100
assign (resid 26 and name HA and segid A) (resid 26 and name HG* and segid A) 2.900 1.100 1.100
assign (resid 26 and name HA and segid B) (resid 26 and name HG* and segid B) 2.900 1.100 1.100
assign (resid 26 and name HE* and segid A) (resid 26 and name HG* and segid A) 3.400 1.600 1.600
assign (resid 26 and name HE* and segid B) (resid 26 and name HG* and segid B) 3.400 1.600 1.600
assign (resid 26 and name HE* and segid A) (resid 26 and name HD* and segid A) 3.400 1.600 1.600
assign (resid 26 and name HE* and segid B) (resid 26 and name HD* and segid B) 3.400 1.600 1.600
assign (resid 26 and name HE* and segid A) (resid 26 and name HB* and segid A) 2.900 1.100 1.100
assign (resid 26 and name HE* and segid B) (resid 26 and name HB* and segid B) 2.900 1.100 1.100
assign (resid 26 and name HA and segid A) (resid 26 and name HE* and segid A) 2.300 0.500 0.500
assign (resid 26 and name HA and segid B) (resid 26 and name HE* and segid B) 2.300 0.500 0.500
assign (resid 26 and name HE* and segid A) (resid 26 and name HN and segid A) 3.400 1.600 1.600 ! incr to 5.0 after round 3. (15 viol avg 0.417)
assign (resid 26 and name HE* and segid B) (resid 26 and name HN and segid B) 3.400 1.600 1.600 ! incr to 5.0 after round 3. (22 viol avg 0.427)
assign (resid 26 and name HD* and segid A) (resid 26 and name HN and segid A) 3.400 1.600 1.600 ! incr to 5.0 after round 3. (10 viol avg 0.342)
assign (resid 26 and name HD* and segid B) (resid 26 and name HN and segid B) 3.400 1.600 1.600 ! incr to 5.0 after round 3. (21 viol avg 0.363)
assign (resid 26 and name HN and segid A) (resid 26 and name HB* and segid A) 2.900 1.100 1.100
assign (resid 26 and name HN and segid B) (resid 26 and name HB* and segid B) 2.900 1.100 1.100
assign (resid 26 and name HN and segid A) (resid 26 and name HD* and segid A) 3.400 1.600 1.600 ! incr to 5.0 after round 3. (10 viol avg 0.342)
assign (resid 26 and name HN and segid B) (resid 26 and name HD* and segid B) 3.400 1.600 1.600 ! incr to 5.0 after round 3. (21 viol avg 0.363)
assign (resid 26 and name HN and segid A) (resid 26 and name HG* and segid A) 2.900 1.100 1.100
assign (resid 26 and name HN and segid B) (resid 26 and name HG* and segid B) 2.900 1.100 1.100
assign (resid 26 and name HB* and segid A) (resid 26 and name HD* and segid A) 3.400 1.600 1.600
assign (resid 26 and name HB* and segid B) (resid 26 and name HD* and segid B) 3.400 1.600 1.600
assign (resid 26 and name HE* and segid A) (resid 26 and name HA and segid A) 2.300 0.500 0.500
assign (resid 26 and name HE* and segid B) (resid 26 and name HA and segid B) 2.300 0.500 0.500
assign (resid 26 and name HD* and segid A) (resid 26 and name HB* and segid A) 3.400 1.600 1.600
assign (resid 26 and name HD* and segid B) (resid 26 and name HB* and segid B) 3.400 1.600 1.600
 
! =========== Intraresidue contacts to residue 27 ============
assign (resid 27 and name HA and segid A) (resid 27 and name HN and segid A) 2.900 1.100 1.100
assign (resid 27 and name HA and segid B) (resid 27 and name HN and segid B) 2.900 1.100 1.100
assign (resid 27 and name HG* and segid A) (resid 27 and name HN and segid A) 2.900 1.100 1.100
assign (resid 27 and name HG* and segid B) (resid 27 and name HN and segid B) 2.900 1.100 1.100
assign (resid 27 and name HB* and segid A) (resid 27 and name HN and segid A) 2.900 1.100 1.100
assign (resid 27 and name HB* and segid B) (resid 27 and name HN and segid B) 2.900 1.100 1.100
assign (resid 27 and name HB* and segid A) (resid 27 and name HN and segid A) 2.900 1.100 1.100
assign (resid 27 and name HB* and segid B) (resid 27 and name HN and segid B) 2.900 1.100 1.100
assign (resid 27 and name HD* and segid A) (resid 27 and name HN and segid A) 3.400 1.600 1.600 ! incr to 5.0 after round 4. (12 viol avg 0.247)
assign (resid 27 and name HD* and segid B) (resid 27 and name HN and segid B) 2.900 1.100 1.100
assign (resid 27 and name HN and segid A) (resid 27 and name HA and segid A) 2.900 1.100 1.100
assign (resid 27 and name HN and segid B) (resid 27 and name HA and segid B) 2.900 1.100 1.100
assign (resid 27 and name HD* and segid A) (resid 27 and name HA and segid A) 3.400 1.600 1.600 ! incr to 5.0 after round 4. (12 viol avg 0.127)
assign (resid 27 and name HD* and segid B) (resid 27 and name HA and segid B) 2.900 1.100 1.100
assign (resid 27 and name HB* and segid A) (resid 27 and name HA and segid A) 2.900 1.100 1.100
assign (resid 27 and name HB* and segid B) (resid 27 and name HA and segid B) 2.900 1.100 1.100
assign (resid 27 and name HB* and segid A) (resid 27 and name HA and segid A) 2.900 1.100 1.100
assign (resid 27 and name HB* and segid B) (resid 27 and name HA and segid B) 2.900 1.100 1.100
assign (resid 27 and name HG* and segid A) (resid 27 and name HA and segid A) 2.900 1.100 1.100
assign (resid 27 and name HG* and segid B) (resid 27 and name HA and segid B) 2.900 1.100 1.100
assign (resid 27 and name HA and segid A) (resid 27 and name HB* and segid A) 2.900 1.100 1.100
assign (resid 27 and name HA and segid B) (resid 27 and name HB* and segid B) 2.900 1.100 1.100
assign (resid 27 and name HA and segid A) (resid 27 and name HB* and segid A) 2.900 1.100 1.100
assign (resid 27 and name HA and segid B) (resid 27 and name HB* and segid B) 2.900 1.100 1.100
assign (resid 27 and name HA and segid A) (resid 27 and name HD* and segid A) 3.400 1.600 1.600 ! incr to 5.0 after round 4. (12 viol avg 0.127)
assign (resid 27 and name HA and segid B) (resid 27 and name HD* and segid B) 2.900 1.100 1.100
assign (resid 27 and name HA and segid A) (resid 27 and name HG* and segid A) 2.900 1.100 1.100
assign (resid 27 and name HA and segid B) (resid 27 and name HG* and segid B) 2.900 1.100 1.100
assign (resid 27 and name H1 and segid A) (resid 27 and name H2 and segid A) 3.400 1.600 1.600
assign (resid 27 and name H1 and segid B) (resid 27 and name H2 and segid B) 3.400 1.600 1.600
assign (resid 27 and name H2 and segid A) (resid 27 and name H1 and segid A) 3.400 1.600 1.600
assign (resid 27 and name H2 and segid B) (resid 27 and name H1 and segid B) 3.400 1.600 1.600
assign (resid 27 and name HN and segid A) (resid 27 and name H1 and segid A) 2.900 1.100 1.100
assign (resid 27 and name HN and segid B) (resid 27 and name H1 and segid B) 2.900 1.100 1.100
assign (resid 27 and name H2 and segid A) (resid 27 and name HN and segid A) 2.900 1.100 1.100
assign (resid 27 and name H2 and segid B) (resid 27 and name HN and segid B) 3.400 1.600 1.600 ! incr to 5.0 after round 6. (10 viol avg 0.087)
assign (resid 27 and name H1 and segid A) (resid 27 and name HN and segid A) 2.900 1.100 1.100
assign (resid 27 and name H1 and segid B) (resid 27 and name HN and segid B) 2.900 1.100 1.100
assign (resid 27 and name HN and segid A) (resid 27 and name H2 and segid A) 2.900 1.100 1.100
assign (resid 27 and name HN and segid B) (resid 27 and name H2 and segid B) 3.400 1.600 1.600 ! incr to 5.0 after round 6. (10 viol avg 0.087)
assign (resid 27 and name H1 and segid A) (resid 27 and name HA and segid A) 2.900 1.100 1.100
assign (resid 27 and name H1 and segid B) (resid 27 and name HA and segid B) 2.900 1.100 1.100
assign (resid 27 and name HA and segid A) (resid 27 and name H1 and segid A) 2.900 1.100 1.100
assign (resid 27 and name HA and segid B) (resid 27 and name H1 and segid B) 2.900 1.100 1.100
assign (resid 27 and name HA and segid A) (resid 27 and name H2 and segid A) 3.400 1.600 1.600 ! incr to 5.0 after round 5. (41 viol avg 0.084)
assign (resid 27 and name HA and segid B) (resid 27 and name H2 and segid B) 3.400 1.600 1.600 ! incr to 5.0 after round 5. (55 viol avg 0.066)
assign (resid 27 and name HN and segid A) (resid 27 and name HG* and segid A) 2.900 1.100 1.100
assign (resid 27 and name HN and segid B) (resid 27 and name HG* and segid B) 2.900 1.100 1.100
assign (resid 27 and name HE* and segid A) (resid 27 and name HG* and segid A) 3.900 2.100 2.100
assign (resid 27 and name HE* and segid B) (resid 27 and name HG* and segid B) 3.900 2.100 2.100
assign (resid 27 and name HB* and segid A) (resid 27 and name H1 and segid A) 2.900 1.100 1.100
assign (resid 27 and name HB* and segid B) (resid 27 and name H1 and segid B) 2.900 1.100 1.100
assign (resid 27 and name HB* and segid A) (resid 27 and name H1 and segid A) 2.300 0.500 0.500
assign (resid 27 and name HB* and segid B) (resid 27 and name H1 and segid B) 2.900 1.100 1.100 ! incr to 4.0 after round 6. (9 viol avg 0.083)
assign (resid 27 and name HG* and segid A) (resid 27 and name H1 and segid A) 2.300 0.500 0.500
assign (resid 27 and name HG* and segid B) (resid 27 and name H1 and segid B) 3.400 1.600 1.600 ! incr to 5.0 after round 7. (7 viol avg 0.069)
assign (resid 27 and name H1 and segid A) (resid 27 and name HB* and segid A) 2.900 1.100 1.100
assign (resid 27 and name H1 and segid B) (resid 27 and name HB* and segid B) 2.900 1.100 1.100
assign (resid 27 and name H1 and segid A) (resid 27 and name HB* and segid A) 2.900 1.100 1.100
assign (resid 27 and name H1 and segid B) (resid 27 and name HB* and segid B) 2.900 1.100 1.100
assign (resid 27 and name H1 and segid A) (resid 27 and name HG* and segid A) 2.300 0.500 0.500
assign (resid 27 and name H1 and segid B) (resid 27 and name HG* and segid B) 3.400 1.600 1.600 ! incr to 5.0 after round 7. (7 viol avg 0.069)
assign (resid 27 and name HN and segid A) (resid 27 and name HB* and segid A) 2.900 1.100 1.100
assign (resid 27 and name HN and segid B) (resid 27 and name HB* and segid B) 2.900 1.100 1.100
assign (resid 27 and name HN and segid A) (resid 27 and name HB* and segid A) 2.900 1.100 1.100
assign (resid 27 and name HN and segid B) (resid 27 and name HB* and segid B) 2.900 1.100 1.100
assign (resid 27 and name HN and segid A) (resid 27 and name HD* and segid A) 3.400 1.600 1.600 ! incr to 5.0 after round 4. (12 viol avg 0.247)
assign (resid 27 and name HN and segid B) (resid 27 and name HD* and segid B) 2.900 1.100 1.100
assign (resid 27 and name HG* and segid A) (resid 27 and name HB* and segid A) 3.400 1.600 1.600
assign (resid 27 and name HG* and segid B) (resid 27 and name HB* and segid B) 3.400 1.600 1.600
assign (resid 27 and name H2 and segid A) (resid 27 and name HB* and segid A) 2.900 1.100 1.100
assign (resid 27 and name H2 and segid B) (resid 27 and name HB* and segid B) 2.900 1.100 1.100
assign (resid 27 and name H2 and segid A) (resid 27 and name HB* and segid A) 2.900 1.100 1.100 ! incr to 4.0 after round 3. (10 viol avg 0.309)
assign (resid 27 and name H2 and segid B) (resid 27 and name HB* and segid B) 2.900 1.100 1.100 ! incr to 4.0 after round 3. (13 viol avg 0.273)
assign (resid 27 and name HB* and segid A) (resid 27 and name H2 and segid A) 2.900 1.100 1.100
assign (resid 27 and name HB* and segid B) (resid 27 and name H2 and segid B) 2.900 1.100 1.100
assign (resid 27 and name HB* and segid A) (resid 27 and name H2 and segid A) 2.900 1.100 1.100 ! incr to 4.0 after round 3. (10 viol avg 0.309)
assign (resid 27 and name HB* and segid B) (resid 27 and name H2 and segid B) 2.900 1.100 1.100 ! incr to 4.0 after round 3. (13 viol avg 0.273)
assign (resid 27 and name HG* and segid A) (resid 27 and name H2 and segid A) 2.900 1.100 1.100 ! incr to 4.0 after round 3. (56 viol avg 0.438)
assign (resid 27 and name HG* and segid B) (resid 27 and name H2 and segid B) 3.900 2.100 2.100 ! incr to 6.0 after round 4. (11 viol avg 0.124)
assign (resid 27 and name HB* and segid A) (resid 27 and name HG* and segid A) 3.400 1.600 1.600
assign (resid 27 and name HB* and segid B) (resid 27 and name HG* and segid B) 3.400 1.600 1.600
 
! --------------------------------------------------------------------------
! i +/- 1 contacts
 
! =========== i+1 contacts to residue 1 ============
 
! =========== i+1 contacts to residue 2 ============
assign ((resid  3 and name HB* and segid A) OR (resid  3 and name HB* and segid B))
       ((resid  2 and name HN and segid A) OR (resid  2 and name HN and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 4. (10 viol avg 0.155)
assign ((resid  3 and name HB* and segid A) OR (resid  3 and name HB* and segid B))
       ((resid  2 and name HN and segid A) OR (resid  2 and name HN and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 4. (10 viol avg 0.155)
assign ((resid  2 and name HN and segid A) OR (resid  2 and name HN and segid B))
       ((resid  3 and name HB* and segid A) OR (resid  3 and name HB* and segid B))
        2.900 1.100 1.100
assign ((resid  2 and name HN and segid A) OR (resid  2 and name HN and segid B))
       ((resid  3 and name HB* and segid A) OR (resid  3 and name HB* and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 4. (10 viol avg 0.155)
assign ((resid  2 and name HN and segid A) OR (resid  2 and name HN and segid B))
       ((resid  3 and name HB* and segid A) OR (resid  3 and name HB* and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 4. (10 viol avg 0.155)
 
! =========== i+1 contacts to residue 3 ============
assign ((resid  3 and name HN and segid A) OR (resid  3 and name HN and segid B))
       ((resid  4 and name HN and segid A) OR (resid  4 and name HN and segid B))
        2.900 1.100 1.100
assign ((resid  4 and name HN and segid A) OR (resid  4 and name HN and segid B))
       ((resid  3 and name HN and segid A) OR (resid  3 and name HN and segid B))
        2.900 1.100 1.100
assign ((resid  3 and name HA and segid A) OR (resid  3 and name HA and segid B))
       ((resid  4 and name HN and segid A) OR (resid  4 and name HN and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 4. (11 viol avg 0.185)
assign ((resid  3 and name HB* and segid A) OR (resid  3 and name HB* and segid B))
       ((resid  4 and name HN and segid A) OR (resid  4 and name HN and segid B))
        2.900 1.100 1.100
assign ((resid  3 and name HB* and segid A) OR (resid  3 and name HB* and segid B))
       ((resid  4 and name HN and segid A) OR (resid  4 and name HN and segid B))
        2.900 1.100 1.100
assign ((resid  4 and name HN and segid A) OR (resid  4 and name HN and segid B))
       ((resid  3 and name HB* and segid A) OR (resid  3 and name HB* and segid B))
        2.900 1.100 1.100
assign ((resid  4 and name HN and segid A) OR (resid  4 and name HN and segid B))
       ((resid  3 and name HB* and segid A) OR (resid  3 and name HB* and segid B))
        2.900 1.100 1.100
assign ((resid  3 and name HA and segid A) OR (resid  3 and name HA and segid B))
       ((resid  4 and name HA and segid A) OR (resid  4 and name HA and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 4. (13 viol avg 0.175)
assign ((resid  4 and name HN and segid A) OR (resid  4 and name HN and segid B))
       ((resid  3 and name HA and segid A) OR (resid  3 and name HA and segid B))
        2.900 1.100 1.100
assign ((resid  4 and name HA and segid A) OR (resid  4 and name HA and segid B))
       ((resid  3 and name HN and segid A) OR (resid  3 and name HN and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 4. (27 viol avg 0.182)
 
! =========== i+1 contacts to residue 4 ============
! assign (resid   4 and name HA) (resid   5 and name HA)  2.300 1.800 2.800 ! Commented out at user request by SparkyNOEcal.tcl
! assign (resid   4 and name HN) (resid   5 and name HA)  2.300 1.800 2.800 ! Commented out at user request by SparkyNOEcal.tcl
! assign (resid   5 and name HA) (resid   4 and name HG*)  2.900 1.800 4.000 ! Commented out at user request by SparkyNOEcal.tcl
 
! =========== i+1 contacts to residue 5 ============
! assign (resid   6 and name HB*) (resid   5 and name HA)  2.900 1.800 4.000 ! Commented out at user request by SparkyNOEcal.tcl
! assign (resid   5 and name HA) (resid   6 and name HB*)  2.900 1.800 4.000 ! Commented out at user request by SparkyNOEcal.tcl
! assign (resid   6 and name HN) (resid   5 and name HA)  2.900 1.800 4.000 ! Commented out at user request by SparkyNOEcal.tcl
! assign (resid   5 and name HA) (resid   6 and name HN)  2.300 1.800 2.800 ! Commented out at user request by SparkyNOEcal.tcl
 
! =========== i+1 contacts to residue 6 ============
assign ((resid  6 and name HN and segid A) OR (resid  6 and name HN and segid B))
       ((resid  7 and name HB* and segid A) OR (resid  7 and name HB* and segid B))
        2.900 1.100 1.100
assign ((resid  7 and name HD2 and segid A) OR (resid  7 and name HD2 and segid B))
       ((resid  6 and name HA and segid A) OR (resid  6 and name HA and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 6. (7 viol avg 0.058)
assign ((resid  6 and name HA and segid A) OR (resid  6 and name HA and segid B))
       ((resid  7 and name HD2 and segid A) OR (resid  7 and name HD2 and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 6. (7 viol avg 0.058)
assign ((resid  7 and name HB* and segid A) OR (resid  7 and name HB* and segid B))
       ((resid  6 and name HN and segid A) OR (resid  6 and name HN and segid B))
        2.900 1.100 1.100
assign ((resid  6 and name HD** and segid A) OR (resid  6 and name HD** and segid B))
       ((resid  7 and name HE1 and segid A) OR (resid  7 and name HE1 and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 4. (16 viol avg 0.199)
 
! =========== i+1 contacts to residue 7 ============
assign ((resid  7 and name HA and segid A) OR (resid  7 and name HA and segid B))
       ((resid  8 and name HN and segid A) OR (resid  8 and name HN and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (13 viol avg 0.287)
assign ((resid  7 and name HB* and segid A) OR (resid  7 and name HB* and segid B))
       ((resid  8 and name HN and segid A) OR (resid  8 and name HN and segid B))
        2.900 1.100 1.100
assign ((resid  8 and name HN and segid A) OR (resid  8 and name HN and segid B))
       ((resid  7 and name HA and segid A) OR (resid  7 and name HA and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (13 viol avg 0.287)
assign ((resid  8 and name HN and segid A) OR (resid  8 and name HN and segid B))
       ((resid  7 and name HB* and segid A) OR (resid  7 and name HB* and segid B))
        2.900 1.100 1.100
assign ((resid  8 and name HB and segid A) OR (resid  8 and name HB and segid B))
       ((resid  7 and name HB* and segid A) OR (resid  7 and name HB* and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 6. (7 viol avg 0.122)
assign ((resid  7 and name HN and segid A) OR (resid  7 and name HN and segid B))
       ((resid  8 and name HB and segid A) OR (resid  8 and name HB and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 4. (20 viol avg 0.226)
assign ((resid  7 and name HB* and segid A) OR (resid  7 and name HB* and segid B))
       ((resid  8 and name HA and segid A) OR (resid  8 and name HA and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (49 viol avg 0.467)
assign ((resid  8 and name HA and segid A) OR (resid  8 and name HA and segid B))
       ((resid  7 and name HB* and segid A) OR (resid  7 and name HB* and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (49 viol avg 0.467)
assign ((resid  7 and name HB* and segid A) OR (resid  7 and name HB* and segid B))
       ((resid  8 and name HG1* and segid A) OR (resid  8 and name HG1* and segid B))
        2.900 1.100 1.100
assign ((resid  7 and name HB* and segid A) OR (resid  7 and name HB* and segid B))
       ((resid  8 and name HB and segid A) OR (resid  8 and name HB and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 6. (7 viol avg 0.122)
assign ((resid  8 and name HD1* and segid A) OR (resid  8 and name HD1* and segid B))
       ((resid  7 and name HD2 and segid A) OR (resid  7 and name HD2 and segid B))
        3.900 2.100 2.100 ! incr to 6.0 after round 4. (10 viol avg 0.245)
 
! =========== i+1 contacts to residue 8 ============
assign ((resid  8 and name HA and segid A) OR (resid  8 and name HA and segid B))
       ((resid  9 and name HN and segid A) OR (resid  9 and name HN and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 4. (21 viol avg 0.153)
assign ((resid  9 and name HG and segid A) OR (resid  9 and name HG and segid B))
       ((resid  8 and name HB and segid A) OR (resid  8 and name HB and segid B))
        3.900 2.100 2.100 ! incr to 6.0 after round 4. (10 viol avg 0.184)
assign ((resid  8 and name HN and segid A) OR (resid  8 and name HN and segid B))
       ((resid  9 and name HN and segid A) OR (resid  9 and name HN and segid B))
        2.300 0.500 0.500
assign ((resid  8 and name HB and segid A) OR (resid  8 and name HB and segid B))
       ((resid  9 and name HA and segid A) OR (resid  9 and name HA and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 3. (19 viol avg 0.371)
assign ((resid  8 and name HB and segid A) OR (resid  8 and name HB and segid B))
       ((resid  9 and name HN and segid A) OR (resid  9 and name HN and segid B))
        2.900 1.100 1.100
assign ((resid  9 and name HA and segid A) OR (resid  9 and name HA and segid B))
       ((resid  8 and name HB and segid A) OR (resid  8 and name HB and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 3. (19 viol avg 0.371)
 
! =========== i+1 contacts to residue 9 ============
assign ((resid 10 and name HG** and segid A) OR (resid 10 and name HG** and segid B))
       ((resid  9 and name HA and segid A) OR (resid  9 and name HA and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 9. (5 viol avg 0.074)
assign ((resid 10 and name HG** and segid A) OR (resid 10 and name HG** and segid B))
       ((resid  9 and name HB* and segid A) OR (resid  9 and name HB* and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 5. (10 viol avg 0.109)
assign ((resid  9 and name HA and segid A) OR (resid  9 and name HA and segid B))
       ((resid 10 and name HG** and segid A) OR (resid 10 and name HG** and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 9. (5 viol avg 0.074)
 
! =========== i+1 contacts to residue 10 ============
assign ((resid 11 and name HN and segid A) OR (resid 11 and name HN and segid B))
       ((resid 10 and name HA and segid A) OR (resid 10 and name HA and segid B))
        2.900 1.100 1.100
assign ((resid 11 and name HB* and segid A) OR (resid 11 and name HB* and segid B))
       ((resid 10 and name HA and segid A) OR (resid 10 and name HA and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 3. (20 viol avg 0.383)
assign ((resid 10 and name HA and segid A) OR (resid 10 and name HA and segid B))
       ((resid 11 and name HD* and segid A) OR (resid 11 and name HD* and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 4. (11 viol avg 0.157)
assign ((resid 10 and name HB and segid A) OR (resid 10 and name HB and segid B))
       ((resid 11 and name HN and segid A) OR (resid 11 and name HN and segid B))
        2.300 0.500 0.500
assign ((resid 10 and name HB and segid A) OR (resid 10 and name HB and segid B))
       ((resid 11 and name HD* and segid A) OR (resid 11 and name HD* and segid B))
        2.900 1.100 1.100
assign ((resid 10 and name HG** and segid A) OR (resid 10 and name HG** and segid B))
       ((resid 11 and name HE* and segid A) OR (resid 11 and name HE* and segid B))
        2.300 0.500 0.500
assign ((resid 10 and name HG** and segid A) OR (resid 10 and name HG** and segid B))
       ((resid 11 and name HZ and segid A) OR (resid 11 and name HZ and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 1. (32 viol avg 0.924)
assign ((resid 10 and name HG** and segid A) OR (resid 10 and name HG** and segid B))
       ((resid 11 and name HD* and segid A) OR (resid 11 and name HD* and segid B))
        2.300 0.500 0.500
assign ((resid 10 and name HG** and segid A) OR (resid 10 and name HG** and segid B))
       ((resid 11 and name HE* and segid A) OR (resid 11 and name HE* and segid B))
        2.900 1.100 1.100
assign ((resid 10 and name HG** and segid A) OR (resid 10 and name HG** and segid B))
       ((resid 11 and name HZ and segid A) OR (resid 11 and name HZ and segid B))
        2.900 1.100 1.100
assign ((resid 10 and name HG** and segid A) OR (resid 10 and name HG** and segid B))
       ((resid 11 and name HD* and segid A) OR (resid 11 and name HD* and segid B))
        2.900 1.100 1.100
assign ((resid 11 and name HD* and segid A) OR (resid 11 and name HD* and segid B))
       ((resid 10 and name HA and segid A) OR (resid 10 and name HA and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 4. (11 viol avg 0.157)
assign ((resid 11 and name HE* and segid A) OR (resid 11 and name HE* and segid B))
       ((resid 10 and name HA and segid A) OR (resid 10 and name HA and segid B))
        3.900 2.100 2.100 ! incr to 6.0 after round 5. (32 viol avg 0.114)
assign ((resid 11 and name HB* and segid A) OR (resid 11 and name HB* and segid B))
       ((resid 10 and name HB and segid A) OR (resid 10 and name HB and segid B))
        2.900 1.100 1.100
assign ((resid 10 and name HG** and segid A) OR (resid 10 and name HG** and segid B))
       ((resid 11 and name HA and segid A) OR (resid 11 and name HA and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (20 viol avg 0.384)
assign ((resid 11 and name HD* and segid A) OR (resid 11 and name HD* and segid B))
       ((resid 10 and name HG** and segid A) OR (resid 10 and name HG** and segid B))
        2.900 1.100 1.100
assign ((resid 11 and name HE* and segid A) OR (resid 11 and name HE* and segid B))
       ((resid 10 and name HG** and segid A) OR (resid 10 and name HG** and segid B))
        2.300 0.500 0.500
assign ((resid 11 and name HD* and segid A) OR (resid 11 and name HD* and segid B))
       ((resid 10 and name HG** and segid A) OR (resid 10 and name HG** and segid B))
        2.300 0.500 0.500
assign ((resid 10 and name HA and segid A) OR (resid 10 and name HA and segid B))
       ((resid 11 and name HB* and segid A) OR (resid 11 and name HB* and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 3. (20 viol avg 0.383)
assign ((resid 10 and name HB and segid A) OR (resid 10 and name HB and segid B))
       ((resid 11 and name HB* and segid A) OR (resid 11 and name HB* and segid B))
        2.900 1.100 1.100
assign ((resid 10 and name HA and segid A) OR (resid 10 and name HA and segid B))
       ((resid 11 and name HE* and segid A) OR (resid 11 and name HE* and segid B))
        3.900 2.100 2.100 ! incr to 6.0 after round 5. (32 viol avg 0.114)
assign ((resid 11 and name HN and segid A) OR (resid 11 and name HN and segid B))
       ((resid 10 and name HB and segid A) OR (resid 10 and name HB and segid B))
        2.300 0.500 0.500
assign ((resid 10 and name HB and segid A) OR (resid 10 and name HB and segid B))
       ((resid 11 and name HA and segid A) OR (resid 11 and name HA and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 5. (11 viol avg 0.099)
 
! =========== i+1 contacts to residue 11 ============
assign ((resid 12 and name HN and segid A) OR (resid 12 and name HN and segid B))
       ((resid 11 and name HN and segid A) OR (resid 11 and name HN and segid B))
        2.900 1.100 1.100
assign ((resid 11 and name HN and segid A) OR (resid 11 and name HN and segid B))
       ((resid 12 and name HN and segid A) OR (resid 12 and name HN and segid B))
        2.900 1.100 1.100
assign ((resid 11 and name HA and segid A) OR (resid 11 and name HA and segid B))
       ((resid 12 and name HN and segid A) OR (resid 12 and name HN and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (10 viol avg 0.294)
assign ((resid 12 and name HA* and segid A) OR (resid 12 and name HA* and segid B))
       ((resid 11 and name HN and segid A) OR (resid 11 and name HN and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 1. (40 viol avg 0.889)
assign ((resid 11 and name HB* and segid A) OR (resid 11 and name HB* and segid B))
       ((resid 12 and name HN and segid A) OR (resid 12 and name HN and segid B))
        2.900 1.100 1.100
assign ((resid 12 and name HN and segid A) OR (resid 12 and name HN and segid B))
       ((resid 11 and name HA and segid A) OR (resid 11 and name HA and segid B))
        2.900 1.100 1.100
assign ((resid 11 and name HN and segid A) OR (resid 11 and name HN and segid B))
       ((resid 12 and name HA* and segid A) OR (resid 12 and name HA* and segid B))
        2.900 1.100 1.100
assign ((resid 12 and name HN and segid A) OR (resid 12 and name HN and segid B))
       ((resid 11 and name HB* and segid A) OR (resid 11 and name HB* and segid B))
        2.900 1.100 1.100
assign ((resid 11 and name HB* and segid A) OR (resid 11 and name HB* and segid B))
       ((resid 12 and name HA* and segid A) OR (resid 12 and name HA* and segid B))
        2.900 1.100 1.100
assign ((resid 12 and name HN and segid A) OR (resid 12 and name HN and segid B))
       ((resid 11 and name HD* and segid A) OR (resid 11 and name HD* and segid B))
        2.900 1.100 1.100
assign ((resid 11 and name HD* and segid A) OR (resid 11 and name HD* and segid B))
       ((resid 12 and name HN and segid A) OR (resid 12 and name HN and segid B))
        2.900 1.100 1.100
assign ((resid 12 and name HA* and segid A) OR (resid 12 and name HA* and segid B))
       ((resid 11 and name HD* and segid A) OR (resid 11 and name HD* and segid B))
        2.900 1.100 1.100
assign ((resid 11 and name HD* and segid A) OR (resid 11 and name HD* and segid B))
       ((resid 12 and name HA* and segid A) OR (resid 12 and name HA* and segid B))
        2.900 1.100 1.100
assign ((resid 12 and name HA* and segid A) OR (resid 12 and name HA* and segid B))
       ((resid 11 and name HB* and segid A) OR (resid 11 and name HB* and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 2. (30 viol avg 0.662)
assign ((resid 11 and name HE* and segid A) OR (resid 11 and name HE* and segid B))
       ((resid 12 and name HN and segid A) OR (resid 12 and name HN and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 7. (7 viol avg 0.104)
 
! =========== i+1 contacts to residue 12 ============
assign ((resid 12 and name HN and segid A) OR (resid 12 and name HN and segid B))
       ((resid 13 and name HN and segid A) OR (resid 13 and name HN and segid B))
        2.900 1.100 1.100
assign ((resid 13 and name HN and segid A) OR (resid 13 and name HN and segid B))
       ((resid 12 and name HN and segid A) OR (resid 12 and name HN and segid B))
        2.900 1.100 1.100
assign ((resid 12 and name HA* and segid A) OR (resid 12 and name HA* and segid B))
       ((resid 13 and name HN and segid A) OR (resid 13 and name HN and segid B))
        2.900 1.100 1.100
assign ((resid 13 and name HN and segid A) OR (resid 13 and name HN and segid B))
       ((resid 12 and name HA* and segid A) OR (resid 12 and name HA* and segid B))
        2.900 1.100 1.100
assign ((resid 13 and name HA and segid A) OR (resid 13 and name HA and segid B))
       ((resid 12 and name HN and segid A) OR (resid 12 and name HN and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 4. (22 viol avg 0.193)
assign ((resid 12 and name HN and segid A) OR (resid 12 and name HN and segid B))
       ((resid 13 and name HA and segid A) OR (resid 13 and name HA and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 4. (22 viol avg 0.193)
 
! =========== i+1 contacts to residue 13 ============
assign ((resid 14 and name HN and segid A) OR (resid 14 and name HN and segid B))
       ((resid 13 and name HN and segid A) OR (resid 13 and name HN and segid B))
        2.900 1.100 1.100
assign ((resid 13 and name HN and segid A) OR (resid 13 and name HN and segid B))
       ((resid 14 and name HN and segid A) OR (resid 14 and name HN and segid B))
        2.900 1.100 1.100
assign ((resid 13 and name HG* and segid A) OR (resid 13 and name HG* and segid B))
       ((resid 14 and name HN and segid A) OR (resid 14 and name HN and segid B))
        2.900 1.100 1.100
assign ((resid 13 and name HG* and segid A) OR (resid 13 and name HG* and segid B))
       ((resid 14 and name HN and segid A) OR (resid 14 and name HN and segid B))
        2.900 1.100 1.100
assign ((resid 13 and name HB* and segid A) OR (resid 13 and name HB* and segid B))
       ((resid 14 and name HN and segid A) OR (resid 14 and name HN and segid B))
        3.400 1.600 1.600
assign ((resid 13 and name HA and segid A) OR (resid 13 and name HA and segid B))
       ((resid 14 and name HB* and segid A) OR (resid 14 and name HB* and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 4. (30 viol avg 0.311)
assign ((resid 13 and name HN and segid A) OR (resid 13 and name HN and segid B))
       ((resid 14 and name HB* and segid A) OR (resid 14 and name HB* and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (29 viol avg 0.418)
assign ((resid 14 and name HB* and segid A) OR (resid 14 and name HB* and segid B))
       ((resid 13 and name HN and segid A) OR (resid 13 and name HN and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (29 viol avg 0.418)
assign ((resid 13 and name HN and segid A) OR (resid 13 and name HN and segid B))
       ((resid 14 and name HA and segid A) OR (resid 14 and name HA and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 4. (41 viol avg 0.237)
assign ((resid 13 and name HB* and segid A) OR (resid 13 and name HB* and segid B))
       ((resid 14 and name HB* and segid A) OR (resid 14 and name HB* and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (13 viol avg 0.440)
assign ((resid 14 and name HN and segid A) OR (resid 14 and name HN and segid B))
       ((resid 13 and name HB* and segid A) OR (resid 13 and name HB* and segid B))
        3.400 1.600 1.600
assign ((resid 14 and name HA and segid A) OR (resid 14 and name HA and segid B))
       ((resid 13 and name HB* and segid A) OR (resid 13 and name HB* and segid B))
        2.900 1.100 1.100
assign ((resid 14 and name HA and segid A) OR (resid 14 and name HA and segid B))
       ((resid 13 and name HB* and segid A) OR (resid 13 and name HB* and segid B))
        2.900 1.100 1.100
assign ((resid 13 and name HB* and segid A) OR (resid 13 and name HB* and segid B))
       ((resid 14 and name HB* and segid A) OR (resid 14 and name HB* and segid B))
        3.400 1.600 1.600
assign ((resid 14 and name HB* and segid A) OR (resid 14 and name HB* and segid B))
       ((resid 13 and name HB* and segid A) OR (resid 13 and name HB* and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (13 viol avg 0.440)
assign ((resid 14 and name HB* and segid A) OR (resid 14 and name HB* and segid B))
       ((resid 13 and name HB* and segid A) OR (resid 13 and name HB* and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (13 viol avg 0.440)
 
! =========== i+1 contacts to residue 14 ============
assign ((resid 15 and name HN and segid A) OR (resid 15 and name HN and segid B))
       ((resid 14 and name HN and segid A) OR (resid 14 and name HN and segid B))
        2.900 1.100 1.100
assign ((resid 15 and name HA and segid A) OR (resid 15 and name HA and segid B))
       ((resid 14 and name HN and segid A) OR (resid 14 and name HN and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 3. (18 viol avg 0.506)
assign ((resid 14 and name HA and segid A) OR (resid 14 and name HA and segid B))
       ((resid 15 and name HN and segid A) OR (resid 15 and name HN and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 4. (22 viol avg 0.159)
assign ((resid 14 and name HB* and segid A) OR (resid 14 and name HB* and segid B))
       ((resid 15 and name HN and segid A) OR (resid 15 and name HN and segid B))
        2.900 1.100 1.100
assign ((resid 15 and name HN and segid A) OR (resid 15 and name HN and segid B))
       ((resid 14 and name HA and segid A) OR (resid 14 and name HA and segid B))
        2.900 1.100 1.100
assign ((resid 15 and name HN and segid A) OR (resid 15 and name HN and segid B))
       ((resid 14 and name HB* and segid A) OR (resid 14 and name HB* and segid B))
        2.900 1.100 1.100
assign ((resid 14 and name HA and segid A) OR (resid 14 and name HA and segid B))
       ((resid 15 and name HG and segid A) OR (resid 15 and name HG and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 3. (17 viol avg 0.399)
 
! =========== i+1 contacts to residue 15 ============
assign ((resid 16 and name HN and segid A) OR (resid 16 and name HN and segid B))
       ((resid 15 and name HN and segid A) OR (resid 15 and name HN and segid B))
        2.900 1.100 1.100
assign ((resid 15 and name HN and segid A) OR (resid 15 and name HN and segid B))
       ((resid 16 and name HN and segid A) OR (resid 16 and name HN and segid B))
        2.900 1.100 1.100
assign ((resid 15 and name HA and segid A) OR (resid 15 and name HA and segid B))
       ((resid 16 and name HN and segid A) OR (resid 16 and name HN and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 4. (29 viol avg 0.178)
assign ((resid 16 and name HN and segid A) OR (resid 16 and name HN and segid B))
       ((resid 15 and name HA and segid A) OR (resid 15 and name HA and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 4. (29 viol avg 0.178)
assign ((resid 16 and name HN and segid A) OR (resid 16 and name HN and segid B))
       ((resid 15 and name HG and segid A) OR (resid 15 and name HG and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 4. (10 viol avg 0.184)
assign ((resid 16 and name HA and segid A) OR (resid 16 and name HA and segid B))
       ((resid 15 and name HN and segid A) OR (resid 15 and name HN and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 3. (13 viol avg 0.365)
assign ((resid 16 and name HA and segid A) OR (resid 16 and name HA and segid B))
       ((resid 15 and name HA and segid A) OR (resid 15 and name HA and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 4. (33 viol avg 0.158)
 
! =========== i+1 contacts to residue 16 ============
assign ((resid 17 and name HN and segid A) OR (resid 17 and name HN and segid B))
       ((resid 16 and name HN and segid A) OR (resid 16 and name HN and segid B))
        2.900 1.100 1.100
assign ((resid 16 and name HN and segid A) OR (resid 16 and name HN and segid B))
       ((resid 17 and name HN and segid A) OR (resid 17 and name HN and segid B))
        2.900 1.100 1.100
assign ((resid 16 and name HG and segid A) OR (resid 16 and name HG and segid B))
       ((resid 17 and name HN and segid A) OR (resid 17 and name HN and segid B))
        2.900 1.100 1.100
assign ((resid 16 and name HB* and segid A) OR (resid 16 and name HB* and segid B))
       ((resid 17 and name HN and segid A) OR (resid 17 and name HN and segid B))
        2.900 1.100 1.100
assign ((resid 17 and name HN and segid A) OR (resid 17 and name HN and segid B))
       ((resid 16 and name HA and segid A) OR (resid 16 and name HA and segid B))
        2.900 1.100 1.100
assign ((resid 16 and name HA and segid A) OR (resid 16 and name HA and segid B))
       ((resid 17 and name HB* and segid A) OR (resid 17 and name HB* and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 3. (28 viol avg 0.369)
assign ((resid 17 and name HB* and segid A) OR (resid 17 and name HB* and segid B))
       ((resid 16 and name HN and segid A) OR (resid 16 and name HN and segid B))
        2.900 1.100 1.100
assign ((resid 16 and name HB* and segid A) OR (resid 16 and name HB* and segid B))
       ((resid 17 and name HB* and segid A) OR (resid 17 and name HB* and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 4. (10 viol avg 0.228)
assign ((resid 17 and name HB* and segid A) OR (resid 17 and name HB* and segid B))
       ((resid 16 and name HB* and segid A) OR (resid 16 and name HB* and segid B))
        3.900 2.100 2.100
assign ((resid 17 and name HN and segid A) OR (resid 17 and name HN and segid B))
       ((resid 16 and name HB* and segid A) OR (resid 16 and name HB* and segid B))
        2.900 1.100 1.100
assign ((resid 17 and name HN and segid A) OR (resid 17 and name HN and segid B))
       ((resid 16 and name HG and segid A) OR (resid 16 and name HG and segid B))
        2.900 1.100 1.100
assign ((resid 17 and name HN and segid A) OR (resid 17 and name HN and segid B))
       ((resid 16 and name HD** and segid A) OR (resid 16 and name HD** and segid B))
        2.900 1.100 1.100
assign ((resid 17 and name HA and segid A) OR (resid 17 and name HA and segid B))
       ((resid 16 and name HA and segid A) OR (resid 16 and name HA and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 4. (41 viol avg 0.181)
assign ((resid 17 and name HB* and segid A) OR (resid 17 and name HB* and segid B))
       ((resid 16 and name HA and segid A) OR (resid 16 and name HA and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 3. (28 viol avg 0.369)
assign ((resid 17 and name HA and segid A) OR (resid 17 and name HA and segid B))
       ((resid 16 and name HG and segid A) OR (resid 16 and name HG and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 2. (30 viol avg 0.839)
assign ((resid 17 and name HA and segid A) OR (resid 17 and name HA and segid B))
       ((resid 16 and name HB* and segid A) OR (resid 16 and name HB* and segid B))
        2.900 1.100 1.100
 
! =========== i+1 contacts to residue 17 ============
assign ((resid 18 and name HN and segid A) OR (resid 18 and name HN and segid B))
       ((resid 17 and name HN and segid A) OR (resid 17 and name HN and segid B))
        2.900 1.100 1.100
assign ((resid 17 and name HN and segid A) OR (resid 17 and name HN and segid B))
       ((resid 18 and name HN and segid A) OR (resid 18 and name HN and segid B))
        2.900 1.100 1.100
assign ((resid 17 and name HD2* and segid A) OR (resid 17 and name HD2* and segid B))
       ((resid 18 and name HN and segid A) OR (resid 18 and name HN and segid B))
        2.300 0.500 0.500
assign ((resid 17 and name HA and segid A) OR (resid 17 and name HA and segid B))
       ((resid 18 and name HN and segid A) OR (resid 18 and name HN and segid B))
        2.900 1.100 1.100
assign ((resid 17 and name HB* and segid A) OR (resid 17 and name HB* and segid B))
       ((resid 18 and name HN and segid A) OR (resid 18 and name HN and segid B))
        2.900 1.100 1.100
assign ((resid 17 and name HB* and segid A) OR (resid 17 and name HB* and segid B))
       ((resid 18 and name HN and segid A) OR (resid 18 and name HN and segid B))
        2.900 1.100 1.100
assign ((resid 18 and name HN and segid A) OR (resid 18 and name HN and segid B))
       ((resid 17 and name HA and segid A) OR (resid 17 and name HA and segid B))
        2.900 1.100 1.100
assign ((resid 18 and name HN and segid A) OR (resid 18 and name HN and segid B))
       ((resid 17 and name HB* and segid A) OR (resid 17 and name HB* and segid B))
        2.900 1.100 1.100
assign ((resid 18 and name HN and segid A) OR (resid 18 and name HN and segid B))
       ((resid 17 and name HB* and segid A) OR (resid 17 and name HB* and segid B))
        2.900 1.100 1.100
assign ((resid 18 and name HN and segid A) OR (resid 18 and name HN and segid B))
       ((resid 17 and name HB* and segid A) OR (resid 17 and name HB* and segid B))
        2.900 1.100 1.100
assign ((resid 18 and name HB* and segid A) OR (resid 18 and name HB* and segid B))
       ((resid 17 and name HN and segid A) OR (resid 17 and name HN and segid B))
        2.900 1.100 1.100
assign ((resid 18 and name HA and segid A) OR (resid 18 and name HA and segid B))
       ((resid 17 and name HN and segid A) OR (resid 17 and name HN and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 3. (19 viol avg 0.395)
assign ((resid 17 and name HN and segid A) OR (resid 17 and name HN and segid B))
       ((resid 18 and name HB* and segid A) OR (resid 18 and name HB* and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 2. (21 viol avg 0.677)
assign ((resid 17 and name HN and segid A) OR (resid 17 and name HN and segid B))
       ((resid 18 and name HB* and segid A) OR (resid 18 and name HB* and segid B))
        2.900 1.100 1.100
 
! =========== i+1 contacts to residue 18 ============
assign ((resid 18 and name HB* and segid A) OR (resid 18 and name HB* and segid B))
       ((resid 19 and name HN and segid A) OR (resid 19 and name HN and segid B))
        2.900 1.100 1.100
assign ((resid 18 and name HB* and segid A) OR (resid 18 and name HB* and segid B))
       ((resid 19 and name HN and segid A) OR (resid 19 and name HN and segid B))
        2.900 1.100 1.100
assign ((resid 19 and name HN and segid A) OR (resid 19 and name HN and segid B))
       ((resid 18 and name HA and segid A) OR (resid 18 and name HA and segid B))
        2.900 1.100 1.100
assign ((resid 19 and name HN and segid A) OR (resid 19 and name HN and segid B))
       ((resid 18 and name HB* and segid A) OR (resid 18 and name HB* and segid B))
        2.900 1.100 1.100
assign ((resid 19 and name HN and segid A) OR (resid 19 and name HN and segid B))
       ((resid 18 and name HB* and segid A) OR (resid 18 and name HB* and segid B))
        2.900 1.100 1.100
assign ((resid 19 and name HN and segid A) OR (resid 19 and name HN and segid B))
       ((resid 18 and name HB* and segid A) OR (resid 18 and name HB* and segid B))
        2.900 1.100 1.100
assign ((resid 19 and name HA and segid A) OR (resid 19 and name HA and segid B))
       ((resid 18 and name HB* and segid A) OR (resid 18 and name HB* and segid B))
        2.900 1.100 1.100
assign ((resid 18 and name HA and segid A) OR (resid 18 and name HA and segid B))
       ((resid 19 and name HN and segid A) OR (resid 19 and name HN and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 4. (32 viol avg 0.158)
assign ((resid 18 and name HA and segid A) OR (resid 18 and name HA and segid B))
       ((resid 19 and name HB* and segid A) OR (resid 19 and name HB* and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 4. (25 viol avg 0.222)
 
! =========== i+1 contacts to residue 19 ============
assign ((resid 19 and name HA and segid A) OR (resid 19 and name HA and segid B))
       ((resid 20 and name HA and segid A) OR (resid 20 and name HA and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 4. (21 viol avg 0.165)
assign ((resid 20 and name HA and segid A) OR (resid 20 and name HA and segid B))
       ((resid 19 and name HA and segid A) OR (resid 19 and name HA and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 4. (21 viol avg 0.165)
assign ((resid 20 and name HB and segid A) OR (resid 20 and name HB and segid B))
       ((resid 19 and name HA and segid A) OR (resid 19 and name HA and segid B))
        3.900 2.100 2.100 ! incr to 6.0 after round 5. (26 viol avg 0.135)
assign ((resid 19 and name HB* and segid A) OR (resid 19 and name HB* and segid B))
       ((resid 20 and name HA and segid A) OR (resid 20 and name HA and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (43 viol avg 0.441)
assign ((resid 20 and name HA and segid A) OR (resid 20 and name HA and segid B))
       ((resid 19 and name HB* and segid A) OR (resid 19 and name HB* and segid B))
        2.900 1.100 1.100
assign ((resid 20 and name HN and segid A) OR (resid 20 and name HN and segid B))
       ((resid 19 and name HA and segid A) OR (resid 19 and name HA and segid B))
        2.900 1.100 1.100
assign ((resid 20 and name HN and segid A) OR (resid 20 and name HN and segid B))
       ((resid 19 and name HB* and segid A) OR (resid 19 and name HB* and segid B))
        3.400 1.600 1.600
assign ((resid 20 and name HB and segid A) OR (resid 20 and name HB and segid B))
       ((resid 19 and name HB* and segid A) OR (resid 19 and name HB* and segid B))
        2.900 1.100 1.100
assign ((resid 19 and name HB* and segid A) OR (resid 19 and name HB* and segid B))
       ((resid 20 and name HB and segid A) OR (resid 20 and name HB and segid B))
        2.900 1.100 1.100
 
! =========== i+1 contacts to residue 20 ============
assign ((resid 20 and name HN and segid A) OR (resid 20 and name HN and segid B))
       ((resid 21 and name HN and segid A) OR (resid 21 and name HN and segid B))
        2.900 1.100 1.100
assign ((resid 21 and name HN and segid A) OR (resid 21 and name HN and segid B))
       ((resid 20 and name HN and segid A) OR (resid 20 and name HN and segid B))
        2.900 1.100 1.100
assign ((resid 21 and name HA and segid A) OR (resid 21 and name HA and segid B))
       ((resid 20 and name HN and segid A) OR (resid 20 and name HN and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 4. (23 viol avg 0.168)
assign ((resid 20 and name HA and segid A) OR (resid 20 and name HA and segid B))
       ((resid 21 and name HN and segid A) OR (resid 21 and name HN and segid B))
        2.900 1.100 1.100
assign ((resid 20 and name HB and segid A) OR (resid 20 and name HB and segid B))
       ((resid 21 and name HN and segid A) OR (resid 21 and name HN and segid B))
        2.900 1.100 1.100
assign ((resid 21 and name HG2* and segid A) OR (resid 21 and name HG2* and segid B))
       ((resid 20 and name HN and segid A) OR (resid 20 and name HN and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (10 viol avg 0.342)
assign ((resid 20 and name HN and segid A) OR (resid 20 and name HN and segid B))
       ((resid 21 and name HA and segid A) OR (resid 21 and name HA and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 4. (23 viol avg 0.168)
assign ((resid 21 and name HN and segid A) OR (resid 21 and name HN and segid B))
       ((resid 20 and name HA and segid A) OR (resid 20 and name HA and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 5. (44 viol avg 0.075)
assign ((resid 20 and name HA and segid A) OR (resid 20 and name HA and segid B))
       ((resid 21 and name HA and segid A) OR (resid 21 and name HA and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 4. (13 viol avg 0.141)
assign ((resid 20 and name HN and segid A) OR (resid 20 and name HN and segid B))
       ((resid 21 and name HB and segid A) OR (resid 21 and name HB and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 4. (12 viol avg 0.278)
assign ((resid 20 and name HN and segid A) OR (resid 20 and name HN and segid B))
       ((resid 21 and name HG2* and segid A) OR (resid 21 and name HG2* and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (10 viol avg 0.342)
assign ((resid 20 and name HG** and segid A) OR (resid 20 and name HG** and segid B))
       ((resid 21 and name HN and segid A) OR (resid 21 and name HN and segid B))
        2.900 1.100 1.100
assign ((resid 21 and name HN and segid A) OR (resid 21 and name HN and segid B))
       ((resid 20 and name HB and segid A) OR (resid 20 and name HB and segid B))
        2.900 1.100 1.100
assign ((resid 20 and name HA and segid A) OR (resid 20 and name HA and segid B))
       ((resid 21 and name HG2* and segid A) OR (resid 21 and name HG2* and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 4. (16 viol avg 0.143)
 
! =========== i+1 contacts to residue 21 ============
assign ((resid 22 and name HA and segid A) OR (resid 22 and name HA and segid B))
       ((resid 21 and name HB and segid A) OR (resid 21 and name HB and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 3. (11 viol avg 0.553)
assign ((resid 21 and name HG2* and segid A) OR (resid 21 and name HG2* and segid B))
       ((resid 22 and name HA and segid A) OR (resid 22 and name HA and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (15 viol avg 0.465)
assign ((resid 21 and name HG2* and segid A) OR (resid 21 and name HG2* and segid B))
       ((resid 22 and name HB and segid A) OR (resid 22 and name HB and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 6. (7 viol avg 0.100)
assign ((resid 22 and name HG** and segid A) OR (resid 22 and name HG** and segid B))
       ((resid 21 and name HB and segid A) OR (resid 21 and name HB and segid B))
        2.900 1.100 1.100
assign ((resid 22 and name HN and segid A) OR (resid 22 and name HN and segid B))
       ((resid 21 and name HG2* and segid A) OR (resid 21 and name HG2* and segid B))
        2.900 1.100 1.100
assign ((resid 22 and name HA and segid A) OR (resid 22 and name HA and segid B))
       ((resid 21 and name HG2* and segid A) OR (resid 21 and name HG2* and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (15 viol avg 0.465)
 
! =========== i+1 contacts to residue 22 ============
assign ((resid 22 and name HA and segid A) OR (resid 22 and name HA and segid B))
       ((resid 23 and name HA and segid A) OR (resid 23 and name HA and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 4. (10 viol avg 0.143)
assign ((resid 23 and name HA and segid A) OR (resid 23 and name HA and segid B))
       ((resid 22 and name HB and segid A) OR (resid 22 and name HB and segid B))
        3.900 2.100 2.100
assign ((resid 23 and name HG** and segid A) OR (resid 23 and name HG** and segid B))
       ((resid 22 and name HN and segid A) OR (resid 22 and name HN and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (22 viol avg 0.358)
assign ((resid 22 and name HG** and segid A) OR (resid 22 and name HG** and segid B))
       ((resid 23 and name HN and segid A) OR (resid 23 and name HN and segid B))
        2.900 1.100 1.100
assign ((resid 22 and name HB and segid A) OR (resid 22 and name HB and segid B))
       ((resid 23 and name HA and segid A) OR (resid 23 and name HA and segid B))
        2.900 1.100 1.100
assign ((resid 22 and name HG** and segid A) OR (resid 22 and name HG** and segid B))
       ((resid 23 and name HA and segid A) OR (resid 23 and name HA and segid B))
        2.900 1.100 1.100
assign ((resid 23 and name HN and segid A) OR (resid 23 and name HN and segid B))
       ((resid 22 and name HB and segid A) OR (resid 22 and name HB and segid B))
        2.900 1.100 1.100
assign ((resid 23 and name HN and segid A) OR (resid 23 and name HN and segid B))
       ((resid 22 and name HG** and segid A) OR (resid 22 and name HG** and segid B))
        3.400 1.600 1.600
assign ((resid 23 and name HB and segid A) OR (resid 23 and name HB and segid B))
       ((resid 22 and name HN and segid A) OR (resid 22 and name HN and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 6. (11 viol avg 0.108)
assign ((resid 22 and name HN and segid A) OR (resid 22 and name HN and segid B))
       ((resid 23 and name HG** and segid A) OR (resid 23 and name HG** and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (22 viol avg 0.358)
 
! =========== i+1 contacts to residue 23 ============
assign ((resid 23 and name HA and segid A) OR (resid 23 and name HA and segid B))
       ((resid 24 and name HN and segid A) OR (resid 24 and name HN and segid B))
        2.900 1.100 1.100
assign ((resid 23 and name HB and segid A) OR (resid 23 and name HB and segid B))
       ((resid 24 and name HN and segid A) OR (resid 24 and name HN and segid B))
        2.900 1.100 1.100
assign ((resid 24 and name HN and segid A) OR (resid 24 and name HN and segid B))
       ((resid 23 and name HA and segid A) OR (resid 23 and name HA and segid B))
        2.900 1.100 1.100
assign ((resid 24 and name HA and segid A) OR (resid 24 and name HA and segid B))
       ((resid 23 and name HA and segid A) OR (resid 23 and name HA and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 5. (57 viol avg 0.103)
assign ((resid 24 and name HN and segid A) OR (resid 24 and name HN and segid B))
       ((resid 23 and name HB and segid A) OR (resid 23 and name HB and segid B))
        2.900 1.100 1.100
assign ((resid 23 and name HG** and segid A) OR (resid 23 and name HG** and segid B))
       ((resid 24 and name HN and segid A) OR (resid 24 and name HN and segid B))
        2.900 1.100 1.100
assign ((resid 23 and name HG** and segid A) OR (resid 23 and name HG** and segid B))
       ((resid 24 and name HN and segid A) OR (resid 24 and name HN and segid B))
        2.900 1.100 1.100
assign ((resid 24 and name HD** and segid A) OR (resid 24 and name HD** and segid B))
       ((resid 23 and name HN and segid A) OR (resid 23 and name HN and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 4. (15 viol avg 0.167)
assign ((resid 23 and name HG** and segid A) OR (resid 23 and name HG** and segid B))
       ((resid 24 and name HA and segid A) OR (resid 24 and name HA and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (31 viol avg 0.394)
assign ((resid 23 and name HG** and segid A) OR (resid 23 and name HG** and segid B))
       ((resid 24 and name HA and segid A) OR (resid 24 and name HA and segid B))
        3.400 1.600 1.600
assign ((resid 24 and name HN and segid A) OR (resid 24 and name HN and segid B))
       ((resid 23 and name HG** and segid A) OR (resid 23 and name HG** and segid B))
        2.900 1.100 1.100
assign ((resid 23 and name HB and segid A) OR (resid 23 and name HB and segid B))
       ((resid 24 and name HB* and segid A) OR (resid 24 and name HB* and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 4. (10 viol avg 0.200)
assign ((resid 23 and name HA and segid A) OR (resid 23 and name HA and segid B))
       ((resid 24 and name HA and segid A) OR (resid 24 and name HA and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 5. (57 viol avg 0.103)
assign ((resid 23 and name HA and segid A) OR (resid 23 and name HA and segid B))
       ((resid 24 and name HB* and segid A) OR (resid 24 and name HB* and segid B))
        3.900 2.100 2.100
assign ((resid 23 and name HB and segid A) OR (resid 23 and name HB and segid B))
       ((resid 24 and name HA and segid A) OR (resid 24 and name HA and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 3. (14 viol avg 0.349)
assign ((resid 24 and name HN and segid A) OR (resid 24 and name HN and segid B))
       ((resid 23 and name HG** and segid A) OR (resid 23 and name HG** and segid B))
        2.900 1.100 1.100
 
! =========== i+1 contacts to residue 24 ============
assign ((resid 25 and name HA and segid A) OR (resid 25 and name HA and segid B))
       ((resid 24 and name HN and segid A) OR (resid 24 and name HN and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 4. (41 viol avg 0.174)
assign ((resid 25 and name HB* and segid A) OR (resid 25 and name HB* and segid B))
       ((resid 24 and name HN and segid A) OR (resid 24 and name HN and segid B))
        2.900 1.100 1.100
assign ((resid 25 and name HD* and segid A) OR (resid 25 and name HD* and segid B))
       ((resid 24 and name HN and segid A) OR (resid 24 and name HN and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (11 viol avg 0.350)
assign ((resid 24 and name HN and segid A) OR (resid 24 and name HN and segid B))
       ((resid 25 and name HD* and segid A) OR (resid 25 and name HD* and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (11 viol avg 0.350)
assign ((resid 25 and name HD* and segid A) OR (resid 25 and name HD* and segid B))
       ((resid 24 and name HB* and segid A) OR (resid 24 and name HB* and segid B))
        2.300 0.500 0.500
assign ((resid 25 and name HD* and segid A) OR (resid 25 and name HD* and segid B))
       ((resid 24 and name HD** and segid A) OR (resid 24 and name HD** and segid B))
        2.300 0.500 0.500
assign ((resid 25 and name HD* and segid A) OR (resid 25 and name HD* and segid B))
       ((resid 24 and name HD** and segid A) OR (resid 24 and name HD** and segid B))
        2.300 0.500 0.500
assign ((resid 25 and name HE* and segid A) OR (resid 25 and name HE* and segid B))
       ((resid 24 and name HD** and segid A) OR (resid 24 and name HD** and segid B))
        2.300 0.500 0.500
assign ((resid 25 and name HE* and segid A) OR (resid 25 and name HE* and segid B))
       ((resid 24 and name HD** and segid A) OR (resid 24 and name HD** and segid B))
        2.300 0.500 0.500
assign ((resid 24 and name HB* and segid A) OR (resid 24 and name HB* and segid B))
       ((resid 25 and name HD* and segid A) OR (resid 25 and name HD* and segid B))
        2.900 1.100 1.100
assign ((resid 25 and name HN and segid A) OR (resid 25 and name HN and segid B))
       ((resid 24 and name HA and segid A) OR (resid 24 and name HA and segid B))
        2.900 1.100 1.100
assign ((resid 24 and name HG and segid A) OR (resid 24 and name HG and segid B))
       ((resid 25 and name HD* and segid A) OR (resid 25 and name HD* and segid B))
        2.900 1.100 1.100
assign ((resid 24 and name HG and segid A) OR (resid 24 and name HG and segid B))
       ((resid 25 and name HE* and segid A) OR (resid 25 and name HE* and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 4. (18 viol avg 0.309)
assign ((resid 24 and name HG and segid A) OR (resid 24 and name HG and segid B))
       ((resid 25 and name HA and segid A) OR (resid 25 and name HA and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (24 viol avg 0.572)
assign ((resid 25 and name HD* and segid A) OR (resid 25 and name HD* and segid B))
       ((resid 24 and name HG and segid A) OR (resid 24 and name HG and segid B))
        2.900 1.100 1.100
assign ((resid 24 and name HN and segid A) OR (resid 24 and name HN and segid B))
       ((resid 25 and name HB* and segid A) OR (resid 25 and name HB* and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (40 viol avg 0.369)
assign ((resid 24 and name HN and segid A) OR (resid 24 and name HN and segid B))
       ((resid 25 and name HB* and segid A) OR (resid 25 and name HB* and segid B))
        2.900 1.100 1.100
assign ((resid 25 and name HB* and segid A) OR (resid 25 and name HB* and segid B))
       ((resid 24 and name HB* and segid A) OR (resid 24 and name HB* and segid B))
        2.900 1.100 1.100
assign ((resid 25 and name HB* and segid A) OR (resid 25 and name HB* and segid B))
       ((resid 24 and name HB* and segid A) OR (resid 24 and name HB* and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 2. (31 viol avg 0.795)
 
! =========== i+1 contacts to residue 25 ============
assign ((resid 26 and name HB* and segid A) OR (resid 26 and name HB* and segid B))
       ((resid 25 and name HN and segid A) OR (resid 25 and name HN and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 5. (10 viol avg 0.086)
assign ((resid 25 and name HD* and segid A) OR (resid 25 and name HD* and segid B))
       ((resid 26 and name HA and segid A) OR (resid 26 and name HA and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (18 viol avg 0.532)
assign ((resid 26 and name HA and segid A) OR (resid 26 and name HA and segid B))
       ((resid 25 and name HD* and segid A) OR (resid 25 and name HD* and segid B))
        2.900 1.100 1.100
assign ((resid 26 and name HN and segid A) OR (resid 26 and name HN and segid B))
       ((resid 25 and name HB* and segid A) OR (resid 25 and name HB* and segid B))
        2.300 0.500 0.500
assign ((resid 25 and name HD* and segid A) OR (resid 25 and name HD* and segid B))
       ((resid 26 and name HG* and segid A) OR (resid 26 and name HG* and segid B))
        2.900 1.100 1.100
assign ((resid 25 and name HD* and segid A) OR (resid 25 and name HD* and segid B))
       ((resid 26 and name HD* and segid A) OR (resid 26 and name HD* and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 8. (8 viol avg 0.080)
assign ((resid 25 and name HD* and segid A) OR (resid 25 and name HD* and segid B))
       ((resid 26 and name HB* and segid A) OR (resid 26 and name HB* and segid B))
        3.400 1.600 1.600
assign ((resid 26 and name HE* and segid A) OR (resid 26 and name HE* and segid B))
       ((resid 25 and name HD* and segid A) OR (resid 25 and name HD* and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 7. (7 viol avg 0.079)
assign ((resid 26 and name HB* and segid A) OR (resid 26 and name HB* and segid B))
       ((resid 25 and name HD* and segid A) OR (resid 25 and name HD* and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 5. (12 viol avg 0.119)
assign ((resid 26 and name HD* and segid A) OR (resid 26 and name HD* and segid B))
       ((resid 25 and name HD* and segid A) OR (resid 25 and name HD* and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 8. (8 viol avg 0.080)
assign ((resid 26 and name HG* and segid A) OR (resid 26 and name HG* and segid B))
       ((resid 25 and name HD* and segid A) OR (resid 25 and name HD* and segid B))
        2.900 1.100 1.100
assign ((resid 26 and name HN and segid A) OR (resid 26 and name HN and segid B))
       ((resid 25 and name HB* and segid A) OR (resid 25 and name HB* and segid B))
        2.900 1.100 1.100
assign ((resid 25 and name HE* and segid A) OR (resid 25 and name HE* and segid B))
       ((resid 26 and name HA and segid A) OR (resid 26 and name HA and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 4. (14 viol avg 0.276)
assign ((resid 25 and name HB* and segid A) OR (resid 25 and name HB* and segid B))
       ((resid 26 and name HB* and segid A) OR (resid 26 and name HB* and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 2. (27 viol avg 0.840)
assign ((resid 25 and name HB* and segid A) OR (resid 25 and name HB* and segid B))
       ((resid 26 and name HB* and segid A) OR (resid 26 and name HB* and segid B))
        3.400 1.600 1.600
 
! =========== i+1 contacts to residue 26 ============
assign ((resid 27 and name HN and segid A) OR (resid 27 and name HN and segid B))
       ((resid 26 and name HN and segid A) OR (resid 26 and name HN and segid B))
        2.900 1.100 1.100
assign ((resid 26 and name HN and segid A) OR (resid 26 and name HN and segid B))
       ((resid 27 and name HN and segid A) OR (resid 27 and name HN and segid B))
        2.900 1.100 1.100
assign ((resid 26 and name HA and segid A) OR (resid 26 and name HA and segid B))
       ((resid 27 and name HN and segid A) OR (resid 27 and name HN and segid B))
        2.900 1.100 1.100
assign ((resid 27 and name HG* and segid A) OR (resid 27 and name HG* and segid B))
       ((resid 26 and name HN and segid A) OR (resid 26 and name HN and segid B))
        3.400 1.600 1.600
assign ((resid 27 and name HN and segid A) OR (resid 27 and name HN and segid B))
       ((resid 26 and name HA and segid A) OR (resid 26 and name HA and segid B))
        2.900 1.100 1.100
assign ((resid 26 and name HA and segid A) OR (resid 26 and name HA and segid B))
       ((resid 27 and name H1 and segid A) OR (resid 27 and name H1 and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 4. (16 viol avg 0.239)
assign ((resid 27 and name H1 and segid A) OR (resid 27 and name H1 and segid B))
       ((resid 26 and name HA and segid A) OR (resid 26 and name HA and segid B))
        3.400 1.600 1.600
assign ((resid 26 and name HB* and segid A) OR (resid 26 and name HB* and segid B))
       ((resid 27 and name HN and segid A) OR (resid 27 and name HN and segid B))
        2.900 1.100 1.100
assign ((resid 27 and name HN and segid A) OR (resid 27 and name HN and segid B))
       ((resid 26 and name HB* and segid A) OR (resid 26 and name HB* and segid B))
        2.900 1.100 1.100
assign ((resid 27 and name HN and segid A) OR (resid 27 and name HN and segid B))
       ((resid 26 and name HD* and segid A) OR (resid 26 and name HD* and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 3. (13 viol avg 0.402)
assign ((resid 27 and name HG* and segid A) OR (resid 27 and name HG* and segid B))
       ((resid 26 and name HB* and segid A) OR (resid 26 and name HB* and segid B))
        3.400 1.600 1.600
assign ((resid 27 and name H2 and segid A) OR (resid 27 and name H2 and segid B))
       ((resid 26 and name HA and segid A) OR (resid 26 and name HA and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 4. (18 viol avg 0.141)
assign ((resid 26 and name HA and segid A) OR (resid 26 and name HA and segid B))
       ((resid 27 and name H2 and segid A) OR (resid 27 and name H2 and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 4. (18 viol avg 0.141)
assign ((resid 26 and name HN and segid A) OR (resid 26 and name HN and segid B))
       ((resid 27 and name H1 and segid A) OR (resid 27 and name H1 and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 3. (10 viol avg 0.305)
 
! =========== i+1 contacts to residue 27 ============
 
! --------------------------------------------------------------------------
! i +/- 2 contacts
 
! =========== i+2 contacts to residue 1 ============
 
! =========== i+2 contacts to residue 2 ============
 
! =========== i+2 contacts to residue 3 ============
! assign (resid   5 and name HA) (resid   3 and name HN)  2.300 1.800 2.800 ! Commented out at user request by SparkyNOEcal.tcl
! assign (resid   5 and name HB*) (resid   3 and name HN)  2.900 1.800 4.000 ! Commented out at user request by SparkyNOEcal.tcl
! assign (resid   3 and name HN) (resid   5 and name HA)  2.900 1.800 4.000 ! Commented out at user request by SparkyNOEcal.tcl
! assign (resid   3 and name HN) (resid   5 and name HB*)  2.900 1.800 4.000 ! Commented out at user request by SparkyNOEcal.tcl
 
! =========== i+2 contacts to residue 4 ============
assign ((resid  6 and name HN and segid A) OR (resid  6 and name HN and segid B))
       ((resid  4 and name HN and segid A) OR (resid  4 and name HN and segid B))
        2.900 1.100 1.100
assign ((resid  4 and name HN and segid A) OR (resid  4 and name HN and segid B))
       ((resid  6 and name HN and segid A) OR (resid  6 and name HN and segid B))
        2.900 1.100 1.100
assign ((resid  4 and name HB* and segid A) OR (resid  4 and name HB* and segid B))
       ((resid  6 and name HN and segid A) OR (resid  6 and name HN and segid B))
        2.900 1.100 1.100
assign ((resid  6 and name HB* and segid A) OR (resid  6 and name HB* and segid B))
       ((resid  4 and name HN and segid A) OR (resid  4 and name HN and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 4. (14 viol avg 0.216)
assign ((resid  6 and name HG and segid A) OR (resid  6 and name HG and segid B))
       ((resid  4 and name HN and segid A) OR (resid  4 and name HN and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 5. (14 viol avg 0.104)
assign ((resid  6 and name HN and segid A) OR (resid  6 and name HN and segid B))
       ((resid  4 and name HB* and segid A) OR (resid  4 and name HB* and segid B))
        2.900 1.100 1.100
assign ((resid  4 and name HG* and segid A) OR (resid  4 and name HG* and segid B))
       ((resid  6 and name HN and segid A) OR (resid  6 and name HN and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 3. (11 viol avg 0.368)
assign ((resid  6 and name HD** and segid A) OR (resid  6 and name HD** and segid B))
       ((resid  4 and name HN and segid A) OR (resid  4 and name HN and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 1. (33 viol avg 0.878)
assign ((resid  4 and name HN and segid A) OR (resid  4 and name HN and segid B))
       ((resid  6 and name HD** and segid A) OR (resid  6 and name HD** and segid B))
        2.900 1.100 1.100
assign ((resid  4 and name HN and segid A) OR (resid  4 and name HN and segid B))
       ((resid  6 and name HB* and segid A) OR (resid  6 and name HB* and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 4. (14 viol avg 0.216)
assign ((resid  4 and name HN and segid A) OR (resid  4 and name HN and segid B))
       ((resid  6 and name HG and segid A) OR (resid  6 and name HG and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 5. (14 viol avg 0.104)
assign ((resid  4 and name HG* and segid A) OR (resid  4 and name HG* and segid B))
       ((resid  6 and name HG and segid A) OR (resid  6 and name HG and segid B))
        3.900 2.100 2.100 ! incr to 6.0 after round 6. (17 viol avg 0.124)
assign ((resid  4 and name HB* and segid A) OR (resid  4 and name HB* and segid B))
       ((resid  6 and name HG and segid A) OR (resid  6 and name HG and segid B))
        3.900 2.100 2.100 ! incr to 6.0 after round 7. (8 viol avg 0.125)
 
! =========== i+2 contacts to residue 5 ============
 
! =========== i+2 contacts to residue 6 ============
assign ((resid  6 and name HD** and segid A) OR (resid  6 and name HD** and segid B))
       ((resid  8 and name HN and segid A) OR (resid  8 and name HN and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 3. (15 viol avg 0.460)
assign ((resid  6 and name HN and segid A) OR (resid  6 and name HN and segid B))
       ((resid  8 and name HG2* and segid A) OR (resid  8 and name HG2* and segid B))
        3.900 2.100 2.100 ! incr to 6.0 after round 5. (11 viol avg 0.121)
assign ((resid  6 and name HN and segid A) OR (resid  6 and name HN and segid B))
       ((resid  8 and name HB and segid A) OR (resid  8 and name HB and segid B))
        3.900 2.100 2.100 ! incr to 6.0 after round 5. (11 viol avg 0.107)
assign ((resid  8 and name HB and segid A) OR (resid  8 and name HB and segid B))
       ((resid  6 and name HB* and segid A) OR (resid  6 and name HB* and segid B))
        3.900 2.100 2.100 ! incr to 6.0 after round 6. (15 viol avg 0.129)
 
! =========== i+2 contacts to residue 7 ============
assign ((resid  7 and name HB* and segid A) OR (resid  7 and name HB* and segid B))
       ((resid  9 and name HN and segid A) OR (resid  9 and name HN and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (24 viol avg 0.447)
assign ((resid  9 and name HN and segid A) OR (resid  9 and name HN and segid B))
       ((resid  7 and name HB* and segid A) OR (resid  7 and name HB* and segid B))
        2.900 1.100 1.100
assign ((resid  9 and name HB* and segid A) OR (resid  9 and name HB* and segid B))
       ((resid  7 and name HB* and segid A) OR (resid  7 and name HB* and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 4. (13 viol avg 0.202)
assign ((resid  7 and name HB* and segid A) OR (resid  7 and name HB* and segid B))
       ((resid  9 and name HB* and segid A) OR (resid  9 and name HB* and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 4. (13 viol avg 0.202)
 
! =========== i+2 contacts to residue 8 ============
assign ((resid 10 and name HA and segid A) OR (resid 10 and name HA and segid B))
       ((resid  8 and name HA and segid A) OR (resid  8 and name HA and segid B))
        3.900 2.100 2.100 ! incr to 6.0 after round 3. (17 viol avg 0.440)
 
! =========== i+2 contacts to residue 9 ============
 
! =========== i+2 contacts to residue 10 ============
assign ((resid 10 and name HA and segid A) OR (resid 10 and name HA and segid B))
       ((resid 12 and name HN and segid A) OR (resid 12 and name HN and segid B))
        2.900 1.100 1.100
assign ((resid 12 and name HN and segid A) OR (resid 12 and name HN and segid B))
       ((resid 10 and name HA and segid A) OR (resid 10 and name HA and segid B))
        2.900 1.100 1.100
assign ((resid 12 and name HA* and segid A) OR (resid 12 and name HA* and segid B))
       ((resid 10 and name HA and segid A) OR (resid 10 and name HA and segid B))
        3.400 1.600 1.600
assign ((resid 10 and name HA and segid A) OR (resid 10 and name HA and segid B))
       ((resid 12 and name HA* and segid A) OR (resid 12 and name HA* and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 3. (22 viol avg 0.414)
assign ((resid 10 and name HG** and segid A) OR (resid 10 and name HG** and segid B))
       ((resid 12 and name HN and segid A) OR (resid 12 and name HN and segid B))
        2.900 1.100 1.100
assign ((resid 12 and name HN and segid A) OR (resid 12 and name HN and segid B))
       ((resid 10 and name HG** and segid A) OR (resid 10 and name HG** and segid B))
        2.900 1.100 1.100
 
! =========== i+2 contacts to residue 11 ============
assign ((resid 13 and name HN and segid A) OR (resid 13 and name HN and segid B))
       ((resid 11 and name HN and segid A) OR (resid 11 and name HN and segid B))
        3.400 1.600 1.600
assign ((resid 11 and name HB* and segid A) OR (resid 11 and name HB* and segid B))
       ((resid 13 and name HN and segid A) OR (resid 13 and name HN and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (11 viol avg 0.470)
assign ((resid 11 and name HN and segid A) OR (resid 11 and name HN and segid B))
       ((resid 13 and name HN and segid A) OR (resid 13 and name HN and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 4. (16 viol avg 0.233)
 
! =========== i+2 contacts to residue 12 ============
assign ((resid 12 and name HA* and segid A) OR (resid 12 and name HA* and segid B))
       ((resid 14 and name HN and segid A) OR (resid 14 and name HN and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (13 viol avg 0.390)
 
! =========== i+2 contacts to residue 13 ============
 
! =========== i+2 contacts to residue 14 ============
assign ((resid 16 and name HN and segid A) OR (resid 16 and name HN and segid B))
       ((resid 14 and name HA and segid A) OR (resid 14 and name HA and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (11 viol avg 0.446)
assign ((resid 16 and name HN and segid A) OR (resid 16 and name HN and segid B))
       ((resid 14 and name HB* and segid A) OR (resid 14 and name HB* and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 5. (10 viol avg 0.099)
assign ((resid 14 and name HA and segid A) OR (resid 14 and name HA and segid B))
       ((resid 16 and name HN and segid A) OR (resid 16 and name HN and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (11 viol avg 0.446)
assign ((resid 14 and name HA and segid A) OR (resid 14 and name HA and segid B))
       ((resid 16 and name HG and segid A) OR (resid 16 and name HG and segid B))
        3.900 2.100 2.100 ! incr to 6.0 after round 9. (5 viol avg 0.070)
 
! =========== i+2 contacts to residue 15 ============
assign ((resid 15 and name HN and segid A) OR (resid 15 and name HN and segid B))
       ((resid 17 and name HN and segid A) OR (resid 17 and name HN and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (30 viol avg 0.483)
assign ((resid 17 and name HN and segid A) OR (resid 17 and name HN and segid B))
       ((resid 15 and name HN and segid A) OR (resid 15 and name HN and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (30 viol avg 0.483)
assign ((resid 17 and name HN and segid A) OR (resid 17 and name HN and segid B))
       ((resid 15 and name HA and segid A) OR (resid 15 and name HA and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (26 viol avg 0.448)
assign ((resid 15 and name HA and segid A) OR (resid 15 and name HA and segid B))
       ((resid 17 and name HN and segid A) OR (resid 17 and name HN and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (26 viol avg 0.448)
 
! =========== i+2 contacts to residue 16 ============
assign ((resid 16 and name HG and segid A) OR (resid 16 and name HG and segid B))
       ((resid 18 and name HN and segid A) OR (resid 18 and name HN and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 3. (32 viol avg 0.560)
 
! =========== i+2 contacts to residue 17 ============
assign ((resid 17 and name HB* and segid A) OR (resid 17 and name HB* and segid B))
       ((resid 19 and name HN and segid A) OR (resid 19 and name HN and segid B))
        2.900 1.100 1.100
assign ((resid 19 and name HB* and segid A) OR (resid 19 and name HB* and segid B))
       ((resid 17 and name HN and segid A) OR (resid 17 and name HN and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (33 viol avg 0.603)
assign ((resid 19 and name HN and segid A) OR (resid 19 and name HN and segid B))
       ((resid 17 and name HB* and segid A) OR (resid 17 and name HB* and segid B))
        2.900 1.100 1.100
assign ((resid 17 and name HB* and segid A) OR (resid 17 and name HB* and segid B))
       ((resid 19 and name HN and segid A) OR (resid 19 and name HN and segid B))
        2.900 1.100 1.100
assign ((resid 17 and name HN and segid A) OR (resid 17 and name HN and segid B))
       ((resid 19 and name HB* and segid A) OR (resid 19 and name HB* and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (33 viol avg 0.603)
assign ((resid 17 and name HA and segid A) OR (resid 17 and name HA and segid B))
       ((resid 19 and name HB* and segid A) OR (resid 19 and name HB* and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 3. (12 viol avg 0.468)
 
! =========== i+2 contacts to residue 18 ============
assign ((resid 18 and name HA and segid A) OR (resid 18 and name HA and segid B))
       ((resid 20 and name HN and segid A) OR (resid 20 and name HN and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 3. (10 viol avg 0.398)
assign ((resid 18 and name HB* and segid A) OR (resid 18 and name HB* and segid B))
       ((resid 20 and name HN and segid A) OR (resid 20 and name HN and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 3. (23 viol avg 0.460)
assign ((resid 20 and name HN and segid A) OR (resid 20 and name HN and segid B))
       ((resid 18 and name HA and segid A) OR (resid 18 and name HA and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 3. (10 viol avg 0.398)
assign ((resid 18 and name HN and segid A) OR (resid 18 and name HN and segid B))
       ((resid 20 and name HG** and segid A) OR (resid 20 and name HG** and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 4. (16 viol avg 0.194)
 
! =========== i+2 contacts to residue 19 ============
assign ((resid 19 and name HA and segid A) OR (resid 19 and name HA and segid B))
       ((resid 21 and name HA and segid A) OR (resid 21 and name HA and segid B))
        3.900 2.100 2.100 ! incr to 6.0 after round 3. (15 viol avg 0.489)
assign ((resid 19 and name HN and segid A) OR (resid 19 and name HN and segid B))
       ((resid 21 and name HG2* and segid A) OR (resid 21 and name HG2* and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (22 viol avg 0.404)
assign ((resid 21 and name HA and segid A) OR (resid 21 and name HA and segid B))
       ((resid 19 and name HB* and segid A) OR (resid 19 and name HB* and segid B))
        3.900 2.100 2.100 ! incr to 6.0 after round 4. (22 viol avg 0.308)
assign ((resid 21 and name HB and segid A) OR (resid 21 and name HB and segid B))
       ((resid 19 and name HB* and segid A) OR (resid 19 and name HB* and segid B))
        3.900 2.100 2.100 ! incr to 6.0 after round 5. (16 viol avg 0.090)
 
! =========== i+2 contacts to residue 20 ============
 
! =========== i+2 contacts to residue 21 ============
assign ((resid 21 and name HA and segid A) OR (resid 21 and name HA and segid B))
       ((resid 23 and name HN and segid A) OR (resid 23 and name HN and segid B))
        2.900 1.100 1.100
assign ((resid 21 and name HG2* and segid A) OR (resid 21 and name HG2* and segid B))
       ((resid 23 and name HN and segid A) OR (resid 23 and name HN and segid B))
        2.900 1.100 1.100
assign ((resid 23 and name HN and segid A) OR (resid 23 and name HN and segid B))
       ((resid 21 and name HA and segid A) OR (resid 21 and name HA and segid B))
        2.900 1.100 1.100
assign ((resid 21 and name HB and segid A) OR (resid 21 and name HB and segid B))
       ((resid 23 and name HN and segid A) OR (resid 23 and name HN and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 3. (12 viol avg 0.442)
assign ((resid 23 and name HA and segid A) OR (resid 23 and name HA and segid B))
       ((resid 21 and name HN and segid A) OR (resid 21 and name HN and segid B))
        3.900 2.100 2.100 ! still violating at 6.0 after round 9. (7 viol avg 0.064)
assign ((resid 23 and name HN and segid A) OR (resid 23 and name HN and segid B))
       ((resid 21 and name HB and segid A) OR (resid 21 and name HB and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 3. (12 viol avg 0.442)
 
! =========== i+2 contacts to residue 22 ============
assign ((resid 24 and name HN and segid A) OR (resid 24 and name HN and segid B))
       ((resid 22 and name HN and segid A) OR (resid 22 and name HN and segid B))
        2.900 1.100 1.100
assign ((resid 22 and name HA and segid A) OR (resid 22 and name HA and segid B))
       ((resid 24 and name HN and segid A) OR (resid 24 and name HN and segid B))
        2.900 1.100 1.100
assign ((resid 24 and name HN and segid A) OR (resid 24 and name HN and segid B))
       ((resid 22 and name HA and segid A) OR (resid 22 and name HA and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (31 viol avg 0.428)
assign ((resid 22 and name HA and segid A) OR (resid 22 and name HA and segid B))
       ((resid 24 and name HB* and segid A) OR (resid 24 and name HB* and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 3. (31 viol avg 0.598)
 
! =========== i+2 contacts to residue 23 ============
assign ((resid 25 and name HD* and segid A) OR (resid 25 and name HD* and segid B))
       ((resid 23 and name HG** and segid A) OR (resid 23 and name HG** and segid B))
        3.900 2.100 2.100 ! incr to 6.0 after round 7. (9 viol avg 0.105)
 
! =========== i+2 contacts to residue 24 ============
assign ((resid 26 and name HB* and segid A) OR (resid 26 and name HB* and segid B))
       ((resid 24 and name HN and segid A) OR (resid 24 and name HN and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 3. (18 viol avg 0.402)
assign ((resid 26 and name HN and segid A) OR (resid 26 and name HN and segid B))
       ((resid 24 and name HG and segid A) OR (resid 24 and name HG and segid B))
        3.900 2.100 2.100 ! incr to 6.0 after round 5. (11 viol avg 0.087)
 
! =========== i+2 contacts to residue 25 ============
assign ((resid 25 and name HA and segid A) OR (resid 25 and name HA and segid B))
       ((resid 27 and name HN and segid A) OR (resid 27 and name HN and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 1. (33 viol avg 0.785)
 
! =========== i+2 contacts to residue 26 ============
 
! =========== i+2 contacts to residue 27 ============
 
! --------------------------------------------------------------------------
! i +/- 3 contacts
 
! =========== i+3 contacts to residue 1 ============
assign ((resid  4 and name HN and segid A) OR (resid  4 and name HN and segid B))
       ((resid  1 and name HA and segid A) OR (resid  1 and name HA and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 3. (22 viol avg 0.550)
 
! =========== i+3 contacts to residue 2 ============
 
! =========== i+3 contacts to residue 3 ============
assign ((resid  3 and name HA and segid A) OR (resid  3 and name HA and segid B))
       ((resid  6 and name HN and segid A) OR (resid  6 and name HN and segid B))
        2.900 1.100 1.100
assign ((resid  6 and name HN and segid A) OR (resid  6 and name HN and segid B))
       ((resid  3 and name HA and segid A) OR (resid  3 and name HA and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 1. (38 viol avg 0.988)
 
! =========== i+3 contacts to residue 4 ============
assign ((resid  4 and name HB* and segid A) OR (resid  4 and name HB* and segid B))
       ((resid  7 and name HB* and segid A) OR (resid  7 and name HB* and segid B))
        2.900 1.100 1.100
assign ((resid  7 and name HB* and segid A) OR (resid  7 and name HB* and segid B))
       ((resid  4 and name HB* and segid A) OR (resid  4 and name HB* and segid B))
        2.900 1.100 1.100
assign ((resid  7 and name HB* and segid A) OR (resid  7 and name HB* and segid B))
       ((resid  4 and name HB* and segid A) OR (resid  4 and name HB* and segid B))
        2.300 0.500 0.500
 
! =========== i+3 contacts to residue 5 ============
! assign (resid   8 and name HN) (resid   5 and name HA)  2.300 1.800 2.800 ! Commented out at user request by SparkyNOEcal.tcl
! assign (resid   8 and name HB) (resid   5 and name HA)  2.300 1.800 2.800 ! Commented out at user request by SparkyNOEcal.tcl
! assign (resid   5 and name HN) (resid   8 and name HG2*)  2.900 1.800 4.000 ! Commented out at user request by SparkyNOEcal.tcl
! assign (resid   8 and name HB) (resid   5 and name HB*)  2.900 1.800 4.000 ! Commented out at user request by SparkyNOEcal.tcl
! assign (resid   5 and name HA) (resid   8 and name HA)  2.900 1.800 4.000 ! Commented out at user request by SparkyNOEcal.tcl
! assign (resid   8 and name HA) (resid   5 and name HA)  2.900 1.800 4.000 ! Commented out at user request by SparkyNOEcal.tcl
 
! =========== i+3 contacts to residue 6 ============
assign ((resid  9 and name HN and segid A) OR (resid  9 and name HN and segid B))
       ((resid  6 and name HN and segid A) OR (resid  6 and name HN and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 4. (12 viol avg 0.241)
assign ((resid  6 and name HN and segid A) OR (resid  6 and name HN and segid B))
       ((resid  9 and name HN and segid A) OR (resid  9 and name HN and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 4. (12 viol avg 0.241)
assign ((resid  6 and name HN and segid A) OR (resid  6 and name HN and segid B))
       ((resid  9 and name HA and segid A) OR (resid  9 and name HA and segid B))
        3.900 2.100 2.100 ! still violating at 6.0 after round 9. (7 viol avg 0.089)
assign ((resid  9 and name HA and segid A) OR (resid  9 and name HA and segid B))
       ((resid  6 and name HN and segid A) OR (resid  6 and name HN and segid B))
        3.900 2.100 2.100 ! still violating at 6.0 after round 9. (7 viol avg 0.089)
 
! =========== i+3 contacts to residue 7 ============
assign ((resid 10 and name HB and segid A) OR (resid 10 and name HB and segid B))
       ((resid  7 and name HA and segid A) OR (resid  7 and name HA and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 3. (11 viol avg 0.444)
assign ((resid  7 and name HA and segid A) OR (resid  7 and name HA and segid B))
       ((resid 10 and name HB and segid A) OR (resid 10 and name HB and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 3. (11 viol avg 0.444)
assign ((resid 10 and name HG** and segid A) OR (resid 10 and name HG** and segid B))
       ((resid  7 and name HA and segid A) OR (resid  7 and name HA and segid B))
        2.900 1.100 1.100
 
! =========== i+3 contacts to residue 8 ============
assign ((resid 11 and name HB* and segid A) OR (resid 11 and name HB* and segid B))
       ((resid  8 and name HA and segid A) OR (resid  8 and name HA and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 3. (17 viol avg 0.495)
assign ((resid  8 and name HA and segid A) OR (resid  8 and name HA and segid B))
       ((resid 11 and name HD* and segid A) OR (resid 11 and name HD* and segid B))
        2.900 1.100 1.100
assign ((resid  8 and name HA and segid A) OR (resid  8 and name HA and segid B))
       ((resid 11 and name HZ and segid A) OR (resid 11 and name HZ and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (22 viol avg 0.504)
assign ((resid  8 and name HA and segid A) OR (resid  8 and name HA and segid B))
       ((resid 11 and name HE* and segid A) OR (resid 11 and name HE* and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 4. (11 viol avg 0.267)
assign ((resid  8 and name HD1* and segid A) OR (resid  8 and name HD1* and segid B))
       ((resid 11 and name HD* and segid A) OR (resid 11 and name HD* and segid B))
        2.900 1.100 1.100
assign ((resid  8 and name HD1* and segid A) OR (resid  8 and name HD1* and segid B))
       ((resid 11 and name HE* and segid A) OR (resid 11 and name HE* and segid B))
        2.300 0.500 0.500
assign ((resid 11 and name HD* and segid A) OR (resid 11 and name HD* and segid B))
       ((resid  8 and name HA and segid A) OR (resid  8 and name HA and segid B))
        2.900 1.100 1.100
assign ((resid 11 and name HZ and segid A) OR (resid 11 and name HZ and segid B))
       ((resid  8 and name HA and segid A) OR (resid  8 and name HA and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (22 viol avg 0.504)
assign ((resid 11 and name HE* and segid A) OR (resid 11 and name HE* and segid B))
       ((resid  8 and name HA and segid A) OR (resid  8 and name HA and segid B))
        2.900 1.100 1.100
assign ((resid 11 and name HD* and segid A) OR (resid 11 and name HD* and segid B))
       ((resid  8 and name HD1* and segid A) OR (resid  8 and name HD1* and segid B))
        2.900 1.100 1.100
assign ((resid 11 and name HZ and segid A) OR (resid 11 and name HZ and segid B))
       ((resid  8 and name HG1* and segid A) OR (resid  8 and name HG1* and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 4. (13 viol avg 0.228)
assign ((resid  8 and name HA and segid A) OR (resid  8 and name HA and segid B))
       ((resid 11 and name HB* and segid A) OR (resid 11 and name HB* and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 3. (17 viol avg 0.495)
 
! =========== i+3 contacts to residue 9 ============
 
! =========== i+3 contacts to residue 10 ============
assign ((resid 10 and name HA and segid A) OR (resid 10 and name HA and segid B))
       ((resid 13 and name HN and segid A) OR (resid 13 and name HN and segid B))
        2.900 1.100 1.100
assign ((resid 13 and name HN and segid A) OR (resid 13 and name HN and segid B))
       ((resid 10 and name HA and segid A) OR (resid 10 and name HA and segid B))
        2.900 1.100 1.100
assign ((resid 13 and name HA and segid A) OR (resid 13 and name HA and segid B))
       ((resid 10 and name HA and segid A) OR (resid 10 and name HA and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 3. (22 viol avg 0.427)
assign ((resid 13 and name HG* and segid A) OR (resid 13 and name HG* and segid B))
       ((resid 10 and name HA and segid A) OR (resid 10 and name HA and segid B))
        2.900 1.100 1.100
assign ((resid 13 and name HB* and segid A) OR (resid 13 and name HB* and segid B))
       ((resid 10 and name HA and segid A) OR (resid 10 and name HA and segid B))
        3.400 1.600 1.600
assign ((resid 13 and name HB* and segid A) OR (resid 13 and name HB* and segid B))
       ((resid 10 and name HA and segid A) OR (resid 10 and name HA and segid B))
        2.900 1.100 1.100
assign ((resid 10 and name HA and segid A) OR (resid 10 and name HA and segid B))
       ((resid 13 and name HB* and segid A) OR (resid 13 and name HB* and segid B))
        2.900 1.100 1.100
assign ((resid 10 and name HA and segid A) OR (resid 10 and name HA and segid B))
       ((resid 13 and name HB* and segid A) OR (resid 13 and name HB* and segid B))
        2.900 1.100 1.100
assign ((resid 10 and name HG** and segid A) OR (resid 10 and name HG** and segid B))
       ((resid 13 and name HN and segid A) OR (resid 13 and name HN and segid B))
        2.900 1.100 1.100
assign ((resid 13 and name HG* and segid A) OR (resid 13 and name HG* and segid B))
       ((resid 10 and name HA and segid A) OR (resid 10 and name HA and segid B))
        2.900 1.100 1.100
assign ((resid 13 and name HB* and segid A) OR (resid 13 and name HB* and segid B))
       ((resid 10 and name HA and segid A) OR (resid 10 and name HA and segid B))
        2.900 1.100 1.100
assign ((resid 13 and name HN and segid A) OR (resid 13 and name HN and segid B))
       ((resid 10 and name HG** and segid A) OR (resid 10 and name HG** and segid B))
        2.900 1.100 1.100
assign ((resid 10 and name HA and segid A) OR (resid 10 and name HA and segid B))
       ((resid 13 and name HG* and segid A) OR (resid 13 and name HG* and segid B))
        2.900 1.100 1.100
 
! =========== i+3 contacts to residue 11 ============
assign ((resid 11 and name HD* and segid A) OR (resid 11 and name HD* and segid B))
       ((resid 14 and name HB* and segid A) OR (resid 14 and name HB* and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 3. (10 viol avg 0.539)
 
! =========== i+3 contacts to residue 12 ============
assign ((resid 12 and name HA* and segid A) OR (resid 12 and name HA* and segid B))
       ((resid 15 and name HB* and segid A) OR (resid 15 and name HB* and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 3. (15 viol avg 0.624)
 
! =========== i+3 contacts to residue 13 ============
assign ((resid 16 and name HB* and segid A) OR (resid 16 and name HB* and segid B))
       ((resid 13 and name HN and segid A) OR (resid 13 and name HN and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 3. (18 viol avg 0.414)
assign ((resid 16 and name HD** and segid A) OR (resid 16 and name HD** and segid B))
       ((resid 13 and name HN and segid A) OR (resid 13 and name HN and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 4. (12 viol avg 0.246)
assign ((resid 13 and name HN and segid A) OR (resid 13 and name HN and segid B))
       ((resid 16 and name HB* and segid A) OR (resid 16 and name HB* and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 3. (18 viol avg 0.414)
assign ((resid 13 and name HA and segid A) OR (resid 13 and name HA and segid B))
       ((resid 16 and name HA and segid A) OR (resid 16 and name HA and segid B))
        3.900 2.100 2.100 ! incr to 6.0 after round 3. (15 viol avg 0.503)
 
! =========== i+3 contacts to residue 14 ============
assign ((resid 14 and name HA and segid A) OR (resid 14 and name HA and segid B))
       ((resid 17 and name HN and segid A) OR (resid 17 and name HN and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (16 viol avg 0.480)
assign ((resid 17 and name HN and segid A) OR (resid 17 and name HN and segid B))
       ((resid 14 and name HA and segid A) OR (resid 14 and name HA and segid B))
        2.900 1.100 1.100
assign ((resid 17 and name HB* and segid A) OR (resid 17 and name HB* and segid B))
       ((resid 14 and name HA and segid A) OR (resid 14 and name HA and segid B))
        2.900 1.100 1.100
assign ((resid 17 and name HB* and segid A) OR (resid 17 and name HB* and segid B))
       ((resid 14 and name HA and segid A) OR (resid 14 and name HA and segid B))
        2.900 1.100 1.100
assign ((resid 14 and name HA and segid A) OR (resid 14 and name HA and segid B))
       ((resid 17 and name HB* and segid A) OR (resid 17 and name HB* and segid B))
        2.900 1.100 1.100
assign ((resid 14 and name HA and segid A) OR (resid 14 and name HA and segid B))
       ((resid 17 and name HB* and segid A) OR (resid 17 and name HB* and segid B))
        2.900 1.100 1.100
assign ((resid 17 and name HA and segid A) OR (resid 17 and name HA and segid B))
       ((resid 14 and name HA and segid A) OR (resid 14 and name HA and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 2. (24 viol avg 0.666)
assign ((resid 17 and name HD2* and segid A) OR (resid 17 and name HD2* and segid B))
       ((resid 14 and name HA and segid A) OR (resid 14 and name HA and segid B))
        2.300 0.500 0.500
assign ((resid 17 and name HD2* and segid A) OR (resid 17 and name HD2* and segid B))
       ((resid 14 and name HA and segid A) OR (resid 14 and name HA and segid B))
        2.300 0.500 0.500
assign ((resid 14 and name HB* and segid A) OR (resid 14 and name HB* and segid B))
       ((resid 17 and name HN and segid A) OR (resid 17 and name HN and segid B))
        3.400 1.600 1.600
assign ((resid 17 and name HN and segid A) OR (resid 17 and name HN and segid B))
       ((resid 14 and name HB* and segid A) OR (resid 14 and name HB* and segid B))
        3.900 2.100 2.100
assign ((resid 17 and name HA and segid A) OR (resid 17 and name HA and segid B))
       ((resid 14 and name HB* and segid A) OR (resid 14 and name HB* and segid B))
        3.900 2.100 2.100 ! incr to 6.0 after round 4. (18 viol avg 0.258)
assign ((resid 17 and name HB* and segid A) OR (resid 17 and name HB* and segid B))
       ((resid 14 and name HB* and segid A) OR (resid 14 and name HB* and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (13 viol avg 0.689)
assign ((resid 17 and name HB* and segid A) OR (resid 17 and name HB* and segid B))
       ((resid 14 and name HB* and segid A) OR (resid 14 and name HB* and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (13 viol avg 0.689)
 
! =========== i+3 contacts to residue 15 ============
assign ((resid 15 and name HA and segid A) OR (resid 15 and name HA and segid B))
       ((resid 18 and name HN and segid A) OR (resid 18 and name HN and segid B))
        2.900 1.100 1.100
assign ((resid 18 and name HN and segid A) OR (resid 18 and name HN and segid B))
       ((resid 15 and name HA and segid A) OR (resid 15 and name HA and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (18 viol avg 0.522)
assign ((resid 18 and name HB* and segid A) OR (resid 18 and name HB* and segid B))
       ((resid 15 and name HA and segid A) OR (resid 15 and name HA and segid B))
        2.900 1.100 1.100
assign ((resid 18 and name HB* and segid A) OR (resid 18 and name HB* and segid B))
       ((resid 15 and name HA and segid A) OR (resid 15 and name HA and segid B))
        2.900 1.100 1.100
assign ((resid 15 and name HA and segid A) OR (resid 15 and name HA and segid B))
       ((resid 18 and name HB* and segid A) OR (resid 18 and name HB* and segid B))
        2.300 0.500 0.500
assign ((resid 15 and name HA and segid A) OR (resid 15 and name HA and segid B))
       ((resid 18 and name HB* and segid A) OR (resid 18 and name HB* and segid B))
        2.300 0.500 0.500
assign ((resid 15 and name HA and segid A) OR (resid 15 and name HA and segid B))
       ((resid 18 and name HB* and segid A) OR (resid 18 and name HB* and segid B))
        2.900 1.100 1.100
assign ((resid 18 and name HB* and segid A) OR (resid 18 and name HB* and segid B))
       ((resid 15 and name HN and segid A) OR (resid 15 and name HN and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 3. (27 viol avg 0.473)
 
! =========== i+3 contacts to residue 16 ============
assign ((resid 19 and name HN and segid A) OR (resid 19 and name HN and segid B))
       ((resid 16 and name HN and segid A) OR (resid 16 and name HN and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 4. (27 viol avg 0.234)
assign ((resid 16 and name HG and segid A) OR (resid 16 and name HG and segid B))
       ((resid 19 and name HN and segid A) OR (resid 19 and name HN and segid B))
        3.900 2.100 2.100 ! incr to 6.0 after round 4. (17 viol avg 0.231)
assign ((resid 16 and name HB* and segid A) OR (resid 16 and name HB* and segid B))
       ((resid 19 and name HN and segid A) OR (resid 19 and name HN and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 3. (25 viol avg 0.526)
assign ((resid 16 and name HD** and segid A) OR (resid 16 and name HD** and segid B))
       ((resid 19 and name HN and segid A) OR (resid 19 and name HN and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 3. (28 viol avg 0.425)
 
! =========== i+3 contacts to residue 17 ============
assign ((resid 17 and name HA and segid A) OR (resid 17 and name HA and segid B))
       ((resid 20 and name HN and segid A) OR (resid 20 and name HN and segid B))
        2.900 1.100 1.100
assign ((resid 17 and name HB* and segid A) OR (resid 17 and name HB* and segid B))
       ((resid 20 and name HN and segid A) OR (resid 20 and name HN and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 3. (13 viol avg 0.404)
assign ((resid 20 and name HN and segid A) OR (resid 20 and name HN and segid B))
       ((resid 17 and name HA and segid A) OR (resid 17 and name HA and segid B))
        2.900 1.100 1.100
assign ((resid 20 and name HA and segid A) OR (resid 20 and name HA and segid B))
       ((resid 17 and name HA and segid A) OR (resid 17 and name HA and segid B))
        3.900 2.100 2.100 ! incr to 6.0 after round 4. (14 viol avg 0.255)
assign ((resid 20 and name HB and segid A) OR (resid 20 and name HB and segid B))
       ((resid 17 and name HA and segid A) OR (resid 17 and name HA and segid B))
        2.900 1.100 1.100
assign ((resid 17 and name HA and segid A) OR (resid 17 and name HA and segid B))
       ((resid 20 and name HB and segid A) OR (resid 20 and name HB and segid B))
        2.900 1.100 1.100
assign ((resid 17 and name HB* and segid A) OR (resid 17 and name HB* and segid B))
       ((resid 20 and name HN and segid A) OR (resid 20 and name HN and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 3. (13 viol avg 0.404)
assign ((resid 17 and name HN and segid A) OR (resid 17 and name HN and segid B))
       ((resid 20 and name HB and segid A) OR (resid 20 and name HB and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 3. (14 viol avg 0.349)
 
! =========== i+3 contacts to residue 18 ============
assign ((resid 18 and name HA and segid A) OR (resid 18 and name HA and segid B))
       ((resid 21 and name HG2* and segid A) OR (resid 21 and name HG2* and segid B))
        3.400 1.600 1.600
assign ((resid 18 and name HN and segid A) OR (resid 18 and name HN and segid B))
       ((resid 21 and name HG2* and segid A) OR (resid 21 and name HG2* and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 3. (13 viol avg 0.426)
 
! =========== i+3 contacts to residue 19 ============
assign ((resid 19 and name HA and segid A) OR (resid 19 and name HA and segid B))
       ((resid 22 and name HA and segid A) OR (resid 22 and name HA and segid B))
        3.900 2.100 2.100 ! incr to 6.0 after round 4. (15 viol avg 0.205)
assign ((resid 22 and name HN and segid A) OR (resid 22 and name HN and segid B))
       ((resid 19 and name HB* and segid A) OR (resid 19 and name HB* and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 4. (10 viol avg 0.268)
 
! =========== i+3 contacts to residue 20 ============
assign ((resid 23 and name HN and segid A) OR (resid 23 and name HN and segid B))
       ((resid 20 and name HN and segid A) OR (resid 20 and name HN and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 4. (38 viol avg 0.223)
assign ((resid 20 and name HA and segid A) OR (resid 20 and name HA and segid B))
       ((resid 23 and name HN and segid A) OR (resid 23 and name HN and segid B))
        2.900 1.100 1.100
assign ((resid 23 and name HN and segid A) OR (resid 23 and name HN and segid B))
       ((resid 20 and name HA and segid A) OR (resid 20 and name HA and segid B))
        2.900 1.100 1.100
assign ((resid 23 and name HB and segid A) OR (resid 23 and name HB and segid B))
       ((resid 20 and name HA and segid A) OR (resid 20 and name HA and segid B))
        2.900 1.100 1.100
assign ((resid 20 and name HA and segid A) OR (resid 20 and name HA and segid B))
       ((resid 23 and name HB and segid A) OR (resid 23 and name HB and segid B))
        2.900 1.100 1.100
assign ((resid 20 and name HA and segid A) OR (resid 20 and name HA and segid B))
       ((resid 23 and name HA and segid A) OR (resid 23 and name HA and segid B))
        3.900 2.100 2.100 ! incr to 6.0 after round 4. (20 viol avg 0.222)
assign ((resid 23 and name HG** and segid A) OR (resid 23 and name HG** and segid B))
       ((resid 20 and name HN and segid A) OR (resid 20 and name HN and segid B))
        2.900 1.100 1.100
assign ((resid 23 and name HG** and segid A) OR (resid 23 and name HG** and segid B))
       ((resid 20 and name HA and segid A) OR (resid 20 and name HA and segid B))
        2.900 1.100 1.100
assign ((resid 20 and name HN and segid A) OR (resid 20 and name HN and segid B))
       ((resid 23 and name HG** and segid A) OR (resid 23 and name HG** and segid B))
        2.900 1.100 1.100
 
! =========== i+3 contacts to residue 21 ============
assign ((resid 21 and name HB and segid A) OR (resid 21 and name HB and segid B))
       ((resid 24 and name HN and segid A) OR (resid 24 and name HN and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 3. (23 viol avg 0.428)
assign ((resid 21 and name HG2* and segid A) OR (resid 21 and name HG2* and segid B))
       ((resid 24 and name HN and segid A) OR (resid 24 and name HN and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (29 viol avg 0.396)
assign ((resid 24 and name HN and segid A) OR (resid 24 and name HN and segid B))
       ((resid 21 and name HB and segid A) OR (resid 21 and name HB and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 3. (23 viol avg 0.428)
assign ((resid 24 and name HN and segid A) OR (resid 24 and name HN and segid B))
       ((resid 21 and name HG2* and segid A) OR (resid 21 and name HG2* and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (29 viol avg 0.396)
assign ((resid 24 and name HG and segid A) OR (resid 24 and name HG and segid B))
       ((resid 21 and name HA and segid A) OR (resid 21 and name HA and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 3. (28 viol avg 0.634)
assign ((resid 21 and name HA and segid A) OR (resid 21 and name HA and segid B))
       ((resid 24 and name HG and segid A) OR (resid 24 and name HG and segid B))
        3.400 1.600 1.600
 
! =========== i+3 contacts to residue 22 ============
assign ((resid 22 and name HA and segid A) OR (resid 22 and name HA and segid B))
       ((resid 25 and name HA and segid A) OR (resid 25 and name HA and segid B))
        3.900 2.100 2.100 ! incr to 6.0 after round 4. (14 viol avg 0.227)
assign ((resid 25 and name HB* and segid A) OR (resid 25 and name HB* and segid B))
       ((resid 22 and name HA and segid A) OR (resid 22 and name HA and segid B))
        2.900 1.100 1.100
assign ((resid 22 and name HA and segid A) OR (resid 22 and name HA and segid B))
       ((resid 25 and name HD* and segid A) OR (resid 25 and name HD* and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 4. (11 viol avg 0.223)
assign ((resid 25 and name HD* and segid A) OR (resid 25 and name HD* and segid B))
       ((resid 22 and name HA and segid A) OR (resid 22 and name HA and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 4. (11 viol avg 0.223)
assign ((resid 25 and name HD* and segid A) OR (resid 25 and name HD* and segid B))
       ((resid 22 and name HG** and segid A) OR (resid 22 and name HG** and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 4. (10 viol avg 0.288)
assign ((resid 22 and name HA and segid A) OR (resid 22 and name HA and segid B))
       ((resid 25 and name HB* and segid A) OR (resid 25 and name HB* and segid B))
        2.900 1.100 1.100
 
! =========== i+3 contacts to residue 23 ============
assign ((resid 26 and name HB* and segid A) OR (resid 26 and name HB* and segid B))
       ((resid 23 and name HA and segid A) OR (resid 23 and name HA and segid B))
        2.900 1.100 1.100
assign ((resid 23 and name HA and segid A) OR (resid 23 and name HA and segid B))
       ((resid 26 and name HB* and segid A) OR (resid 26 and name HB* and segid B))
        2.900 1.100 1.100
assign ((resid 23 and name HA and segid A) OR (resid 23 and name HA and segid B))
       ((resid 26 and name HN and segid A) OR (resid 26 and name HN and segid B))
        2.900 1.100 1.100
assign ((resid 23 and name HG** and segid A) OR (resid 23 and name HG** and segid B))
       ((resid 26 and name HB* and segid A) OR (resid 26 and name HB* and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 2. (33 viol avg 1.088)
 
! =========== i+3 contacts to residue 24 ============
assign ((resid 24 and name HN and segid A) OR (resid 24 and name HN and segid B))
       ((resid 27 and name HN and segid A) OR (resid 27 and name HN and segid B))
        2.900 1.100 1.100
assign ((resid 27 and name HN and segid A) OR (resid 27 and name HN and segid B))
       ((resid 24 and name HN and segid A) OR (resid 24 and name HN and segid B))
        2.900 1.100 1.100
assign ((resid 24 and name HD** and segid A) OR (resid 24 and name HD** and segid B))
       ((resid 27 and name HN and segid A) OR (resid 27 and name HN and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 3. (21 viol avg 0.475)
assign ((resid 27 and name HN and segid A) OR (resid 27 and name HN and segid B))
       ((resid 24 and name HD** and segid A) OR (resid 24 and name HD** and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 3. (21 viol avg 0.475)
 
! =========== i+3 contacts to residue 25 ============
 
! =========== i+3 contacts to residue 26 ============
 
! =========== i+3 contacts to residue 27 ============
 
! --------------------------------------------------------------------------
! i +/- 4 contacts
 
! =========== i+4 contacts to residue 1 ============
! assign (resid   1 and name HA) (resid   5 and name HA)  2.300 1.800 2.800 ! Commented out at user request by SparkyNOEcal.tcl
 
! =========== i+4 contacts to residue 2 ============
 
! =========== i+4 contacts to residue 3 ============
 
! =========== i+4 contacts to residue 4 ============
assign ((resid  4 and name HN and segid A) OR (resid  4 and name HN and segid B))
       ((resid  8 and name HD1* and segid A) OR (resid  8 and name HD1* and segid B))
        3.900 2.100 2.100 ! still violating at 6.0 after round 4. (11 viol avg 0.215)
 
! =========== i+4 contacts to residue 5 ============
 
! =========== i+4 contacts to residue 6 ============
 
! =========== i+4 contacts to residue 7 ============
assign ((resid 11 and name HE* and segid A) OR (resid 11 and name HE* and segid B))
       ((resid  7 and name HA and segid A) OR (resid  7 and name HA and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 3. (12 viol avg 0.679)
assign ((resid 11 and name HE* and segid A) OR (resid 11 and name HE* and segid B))
       ((resid  7 and name HE1 and segid A) OR (resid  7 and name HE1 and segid B))
        3.900 2.100 2.100 ! still violating at 6.0 after round 4. (14 viol avg 0.207)
 
! =========== i+4 contacts to residue 8 ============
assign ((resid  8 and name HA and segid A) OR (resid  8 and name HA and segid B))
       ((resid 12 and name HN and segid A) OR (resid 12 and name HN and segid B))
        2.900 1.100 1.100
assign ((resid 12 and name HN and segid A) OR (resid 12 and name HN and segid B))
       ((resid  8 and name HA and segid A) OR (resid  8 and name HA and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (29 viol avg 0.615)
assign ((resid 12 and name HN and segid A) OR (resid 12 and name HN and segid B))
       ((resid  8 and name HD1* and segid A) OR (resid  8 and name HD1* and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 3. (25 viol avg 0.456)
 
! =========== i+4 contacts to residue 9 ============
 
! =========== i+4 contacts to residue 10 ============
 
! =========== i+4 contacts to residue 11 ============
assign ((resid 11 and name HA and segid A) OR (resid 11 and name HA and segid B))
       ((resid 15 and name HN and segid A) OR (resid 15 and name HN and segid B))
        3.900 2.100 2.100 ! incr to 6.0 after round 3. (25 viol avg 0.658)
assign ((resid 15 and name HG and segid A) OR (resid 15 and name HG and segid B))
       ((resid 11 and name HE* and segid A) OR (resid 11 and name HE* and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 4. (10 viol avg 0.143)
assign ((resid 15 and name HG and segid A) OR (resid 15 and name HG and segid B))
       ((resid 11 and name HD* and segid A) OR (resid 11 and name HD* and segid B))
        2.300 0.500 0.500
assign ((resid 15 and name HD** and segid A) OR (resid 15 and name HD** and segid B))
       ((resid 11 and name HE* and segid A) OR (resid 11 and name HE* and segid B))
        3.400 1.600 1.600
assign ((resid 11 and name HD* and segid A) OR (resid 11 and name HD* and segid B))
       ((resid 15 and name HD** and segid A) OR (resid 15 and name HD** and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (17 viol avg 0.400)
assign ((resid 11 and name HE* and segid A) OR (resid 11 and name HE* and segid B))
       ((resid 15 and name HD** and segid A) OR (resid 15 and name HD** and segid B))
        2.900 1.100 1.100
assign ((resid 11 and name HE* and segid A) OR (resid 11 and name HE* and segid B))
       ((resid 15 and name HG and segid A) OR (resid 15 and name HG and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 4. (10 viol avg 0.143)
assign ((resid 11 and name HD* and segid A) OR (resid 11 and name HD* and segid B))
       ((resid 15 and name HG and segid A) OR (resid 15 and name HG and segid B))
        2.300 0.500 0.500
assign ((resid 11 and name HD* and segid A) OR (resid 11 and name HD* and segid B))
       ((resid 15 and name HB* and segid A) OR (resid 15 and name HB* and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 4. (13 viol avg 0.238)
 
! =========== i+4 contacts to residue 12 ============
assign ((resid 16 and name HD** and segid A) OR (resid 16 and name HD** and segid B))
       ((resid 12 and name HN and segid A) OR (resid 12 and name HN and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 3. (17 viol avg 0.521)
 
! =========== i+4 contacts to residue 13 ============
assign ((resid 17 and name HN and segid A) OR (resid 17 and name HN and segid B))
       ((resid 13 and name HA and segid A) OR (resid 13 and name HA and segid B))
        3.900 2.100 2.100 ! incr to 6.0 after round 4. (10 viol avg 0.219)
 
! =========== i+4 contacts to residue 14 ============
assign ((resid 14 and name HA and segid A) OR (resid 14 and name HA and segid B))
       ((resid 18 and name HN and segid A) OR (resid 18 and name HN and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 3. (12 viol avg 0.387)
assign ((resid 18 and name HN and segid A) OR (resid 18 and name HN and segid B))
       ((resid 14 and name HA and segid A) OR (resid 14 and name HA and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 3. (12 viol avg 0.387)
 
! =========== i+4 contacts to residue 15 ============
assign ((resid 15 and name HA and segid A) OR (resid 15 and name HA and segid B))
       ((resid 19 and name HN and segid A) OR (resid 19 and name HN and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 3. (10 viol avg 0.422)
assign ((resid 19 and name HN and segid A) OR (resid 19 and name HN and segid B))
       ((resid 15 and name HA and segid A) OR (resid 15 and name HA and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 3. (10 viol avg 0.422)
 
! =========== i+4 contacts to residue 16 ============
assign ((resid 16 and name HN and segid A) OR (resid 16 and name HN and segid B))
       ((resid 20 and name HN and segid A) OR (resid 20 and name HN and segid B))
        3.900 2.100 2.100 ! incr to 6.0 after round 4. (12 viol avg 0.220)
assign ((resid 16 and name HB* and segid A) OR (resid 16 and name HB* and segid B))
       ((resid 20 and name HN and segid A) OR (resid 20 and name HN and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 3. (20 viol avg 0.498)
assign ((resid 20 and name HN and segid A) OR (resid 20 and name HN and segid B))
       ((resid 16 and name HN and segid A) OR (resid 16 and name HN and segid B))
        3.900 2.100 2.100 ! incr to 6.0 after round 4. (12 viol avg 0.220)
assign ((resid 20 and name HB and segid A) OR (resid 20 and name HB and segid B))
       ((resid 16 and name HA and segid A) OR (resid 16 and name HA and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 3. (15 viol avg 0.559)
 
! =========== i+4 contacts to residue 17 ============
 
! =========== i+4 contacts to residue 18 ============
assign ((resid 22 and name HN and segid A) OR (resid 22 and name HN and segid B))
       ((resid 18 and name HN and segid A) OR (resid 18 and name HN and segid B))
        3.900 2.100 2.100 ! still violating at 6.0 after round 8. (7 viol avg 0.078)
 
! =========== i+4 contacts to residue 19 ============
assign ((resid 23 and name HN and segid A) OR (resid 23 and name HN and segid B))
       ((resid 19 and name HN and segid A) OR (resid 19 and name HN and segid B))
        3.900 2.100 2.100 ! incr to 6.0 after round 3. (10 viol avg 0.440)
assign ((resid 19 and name HB* and segid A) OR (resid 19 and name HB* and segid B))
       ((resid 23 and name HN and segid A) OR (resid 23 and name HN and segid B))
        2.900 1.100 1.100
assign ((resid 23 and name HN and segid A) OR (resid 23 and name HN and segid B))
       ((resid 19 and name HB* and segid A) OR (resid 19 and name HB* and segid B))
        2.900 1.100 1.100
assign ((resid 23 and name HN and segid A) OR (resid 23 and name HN and segid B))
       ((resid 19 and name HA and segid A) OR (resid 19 and name HA and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 3. (14 viol avg 0.535)
assign ((resid 19 and name HB* and segid A) OR (resid 19 and name HB* and segid B))
       ((resid 23 and name HB and segid A) OR (resid 23 and name HB and segid B))
        2.900 1.100 1.100
 
! =========== i+4 contacts to residue 20 ============
assign ((resid 20 and name HA and segid A) OR (resid 20 and name HA and segid B))
       ((resid 24 and name HN and segid A) OR (resid 24 and name HN and segid B))
        2.900 1.100 1.100
assign ((resid 20 and name HB and segid A) OR (resid 20 and name HB and segid B))
       ((resid 24 and name HN and segid A) OR (resid 24 and name HN and segid B))
        3.900 2.100 2.100 ! incr to 6.0 after round 3. (14 viol avg 0.392)
assign ((resid 24 and name HN and segid A) OR (resid 24 and name HN and segid B))
       ((resid 20 and name HA and segid A) OR (resid 20 and name HA and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (14 viol avg 0.369)
assign ((resid 20 and name HG** and segid A) OR (resid 20 and name HG** and segid B))
       ((resid 24 and name HN and segid A) OR (resid 24 and name HN and segid B))
        2.900 1.100 1.100
 
! =========== i+4 contacts to residue 21 ============
assign ((resid 25 and name HD* and segid A) OR (resid 25 and name HD* and segid B))
       ((resid 21 and name HG2* and segid A) OR (resid 21 and name HG2* and segid B))
        2.900 1.100 1.100
assign ((resid 25 and name HE* and segid A) OR (resid 25 and name HE* and segid B))
       ((resid 21 and name HG2* and segid A) OR (resid 21 and name HG2* and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (20 viol avg 0.421)
assign ((resid 25 and name HE* and segid A) OR (resid 25 and name HE* and segid B))
       ((resid 21 and name HA and segid A) OR (resid 21 and name HA and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 2. (23 viol avg 1.059)
assign ((resid 21 and name HG2* and segid A) OR (resid 21 and name HG2* and segid B))
       ((resid 25 and name HD* and segid A) OR (resid 25 and name HD* and segid B))
        2.900 1.100 1.100
assign ((resid 21 and name HG2* and segid A) OR (resid 21 and name HG2* and segid B))
       ((resid 25 and name HE* and segid A) OR (resid 25 and name HE* and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (20 viol avg 0.421)
 
! =========== i+4 contacts to residue 22 ============
assign ((resid 22 and name HA and segid A) OR (resid 22 and name HA and segid B))
       ((resid 26 and name HB* and segid A) OR (resid 26 and name HB* and segid B))
        2.900 1.100 1.100
 
! =========== i+4 contacts to residue 23 ============
assign ((resid 27 and name HN and segid A) OR (resid 27 and name HN and segid B))
       ((resid 23 and name HN and segid A) OR (resid 23 and name HN and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 3. (10 viol avg 0.367)
assign ((resid 23 and name HN and segid A) OR (resid 23 and name HN and segid B))
       ((resid 27 and name HN and segid A) OR (resid 27 and name HN and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 3. (10 viol avg 0.367)
assign ((resid 23 and name HA and segid A) OR (resid 23 and name HA and segid B))
       ((resid 27 and name HN and segid A) OR (resid 27 and name HN and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (14 viol avg 0.400)
assign ((resid 23 and name HB and segid A) OR (resid 23 and name HB and segid B))
       ((resid 27 and name HN and segid A) OR (resid 27 and name HN and segid B))
        3.900 2.100 2.100 ! incr to 6.0 after round 4. (35 viol avg 0.244)
assign ((resid 27 and name HN and segid A) OR (resid 27 and name HN and segid B))
       ((resid 23 and name HA and segid A) OR (resid 23 and name HA and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (14 viol avg 0.400)
assign ((resid 27 and name HG* and segid A) OR (resid 27 and name HG* and segid B))
       ((resid 23 and name HA and segid A) OR (resid 23 and name HA and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (11 viol avg 0.583)
assign ((resid 23 and name HA and segid A) OR (resid 23 and name HA and segid B))
       ((resid 27 and name HG* and segid A) OR (resid 27 and name HG* and segid B))
        2.900 1.100 1.100
assign ((resid 23 and name HG** and segid A) OR (resid 23 and name HG** and segid B))
       ((resid 27 and name HN and segid A) OR (resid 27 and name HN and segid B))
        2.900 1.100 1.100
assign ((resid 23 and name HG** and segid A) OR (resid 23 and name HG** and segid B))
       ((resid 27 and name HN and segid A) OR (resid 27 and name HN and segid B))
        2.900 1.100 1.100
assign ((resid 27 and name HN and segid A) OR (resid 27 and name HN and segid B))
       ((resid 23 and name HG** and segid A) OR (resid 23 and name HG** and segid B))
        2.900 1.100 1.100
assign ((resid 27 and name HN and segid A) OR (resid 27 and name HN and segid B))
       ((resid 23 and name HG** and segid A) OR (resid 23 and name HG** and segid B))
        2.900 1.100 1.100
 
! =========== i+4 contacts to residue 24 ============
 
! =========== i+4 contacts to residue 25 ============
 
! =========== i+4 contacts to residue 26 ============
 
! =========== i+4 contacts to residue 27 ============
 
! --------------------------------------------------------------------------
! i +/- 5 and longer contacts
 
! =========== i+5 or longer contacts to residue 1 ============
 
! =========== i+5 or longer contacts to residue 2 ============
 
! =========== i+5 or longer contacts to residue 3 ============
 
! =========== i+5 or longer contacts to residue 4 ============
assign ((resid  4 and name HN and segid A) OR (resid  4 and name HN and segid B))
       ((resid  9 and name HN and segid A) OR (resid  9 and name HN and segid B))
        3.900 2.100 2.100 ! still violating at 6.0 after round 9. (21 viol avg 0.155)
assign ((resid  4 and name HB* and segid A) OR (resid  4 and name HB* and segid B))
       ((resid  9 and name HB* and segid A) OR (resid  9 and name HB* and segid B))
        3.900 2.100 2.100 ! incr to 6.0 after round 6. (8 viol avg 0.125)
 
! =========== i+5 or longer contacts to residue 5 ============
! assign (resid   10 and name HG**) (resid   5 and name HN)  3.400 1.800 5.000 ! Commented out at user request by SparkyNOEcal.tcl
! assign (resid   5 and name HG) (resid   10 and name HA)  2.900 1.800 4.000 ! Commented out at user request by SparkyNOEcal.tcl
! assign (resid   10 and name HG**) (resid   5 and name HA)  2.300 1.800 2.800 ! Commented out at user request by SparkyNOEcal.tcl
! assign (resid   5 and name HD**) (resid   10 and name HA)  3.900 1.800 6.000 ! Commented out at user request by SparkyNOEcal.tcl
! assign (resid   5 and name HN) (resid   10 and name HG**)  3.400 1.800 5.000 ! Commented out at user request by SparkyNOEcal.tcl
! assign (resid   5 and name HG) (resid   10 and name HB)  2.900 1.800 4.000 ! Commented out at user request by SparkyNOEcal.tcl
! assign (resid   10 and name HG**) (resid   5 and name HB*)  2.900 1.800 4.000 ! Commented out at user request by SparkyNOEcal.tcl
 
! =========== i+5 or longer contacts to residue 6 ============
 
! =========== i+5 or longer contacts to residue 7 ============
 
! =========== i+5 or longer contacts to residue 8 ============
 
! =========== i+5 or longer contacts to residue 9 ============
 
! =========== i+5 or longer contacts to residue 10 ============
assign ((resid 10 and name HA and segid A) OR (resid 10 and name HA and segid B))
       ((resid 15 and name HN and segid A) OR (resid 15 and name HN and segid B))
        3.900 2.100 2.100 ! still violating at 6.0 after round 9. (10 viol avg 0.125)
 
! =========== i+5 or longer contacts to residue 11 ============
assign ((resid 16 and name HD** and segid A) OR (resid 16 and name HD** and segid B))
       ((resid 11 and name HD* and segid A) OR (resid 11 and name HD* and segid B))
        3.900 2.100 2.100 ! incr to 6.0 after round 4. (10 viol avg 0.239)
assign ((resid 11 and name HE* and segid A) OR (resid 11 and name HE* and segid B))
       ((resid 16 and name HA and segid A) OR (resid 16 and name HA and segid B))
        3.900 2.100 2.100 ! still violating at 6.0 after round 9. (5 viol avg 0.165)
 
! =========== i+5 or longer contacts to residue 12 ============
 
! =========== i+5 or longer contacts to residue 13 ============
 
! =========== i+5 or longer contacts to residue 14 ============
 
! =========== i+5 or longer contacts to residue 15 ============
 
! =========== i+5 or longer contacts to residue 16 ============
 
! =========== i+5 or longer contacts to residue 17 ============
 
! =========== i+5 or longer contacts to residue 18 ============
 
! =========== i+5 or longer contacts to residue 19 ============
assign ((resid 19 and name HB* and segid A) OR (resid 19 and name HB* and segid B))
       ((resid 24 and name HN and segid A) OR (resid 24 and name HN and segid B))
        3.900 2.100 2.100 ! incr to 6.0 after round 4. (11 viol avg 0.212)
assign ((resid 24 and name HN and segid A) OR (resid 24 and name HN and segid B))
       ((resid 19 and name HB* and segid A) OR (resid 19 and name HB* and segid B))
        3.900 2.100 2.100 ! incr to 6.0 after round 4. (11 viol avg 0.212)
 
! =========== i+5 or longer contacts to residue 20 ============
 
! =========== i+5 or longer contacts to residue 21 ============
 
! =========== i+5 or longer contacts to residue 22 ============
assign ((resid 22 and name HA and segid A) OR (resid 22 and name HA and segid B))
       ((resid 27 and name HN and segid A) OR (resid 27 and name HN and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (31 viol avg 0.568)
assign ((resid 22 and name HG** and segid A) OR (resid 22 and name HG** and segid B))
       ((resid 27 and name HN and segid A) OR (resid 27 and name HN and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (21 viol avg 0.427)
assign ((resid 27 and name HN and segid A) OR (resid 27 and name HN and segid B))
       ((resid 22 and name HG** and segid A) OR (resid 22 and name HG** and segid B))
        2.900 1.100 1.100
assign ((resid 22 and name HB and segid A) OR (resid 22 and name HB and segid B))
       ((resid 27 and name HN and segid A) OR (resid 27 and name HN and segid B))
        3.900 2.100 2.100 ! incr to 6.0 after round 4. (16 viol avg 0.238)
 
! =========== i+5 or longer contacts to residue 23 ============
 
! =========== i+5 or longer contacts to residue 24 ============
 
! =========== i+5 or longer contacts to residue 25 ============
 
! =========== i+5 or longer contacts to residue 26 ============
 
! =========== i+5 or longer contacts to residue 27 ============
 
! --------------------------------------------------------------------------
! Ambiguous NOEs
assign ((resid 12 and name HN and segid A) OR (resid 12 and name HN and segid B))
       ((resid 10 and name HN and segid A) OR (resid 10 and name HN and segid B) OR 
        (resid 14 and name HN and segid A) OR (resid 14 and name HN and segid B))
        2.900 1.100 1.100
assign ((resid 10 and name HN and segid A) OR (resid 10 and name HN and segid B) OR 
        (resid 14 and name HN and segid A) OR (resid 14 and name HN and segid B))
       ((resid 12 and name HN and segid A) OR (resid 12 and name HN and segid B))
        2.900 1.100 1.100
assign ((resid 20 and name HN and segid A) OR (resid 20 and name HN and segid B))
       ((resid 15 and name HN and segid A) OR (resid 15 and name HN and segid B) OR 
        (resid 22 and name HN and segid A) OR (resid 22 and name HN and segid B))
        2.900 1.100 1.100
assign ((resid 24 and name HN and segid A) OR (resid 24 and name HN and segid B))
       ((resid 23 and name HN and segid A) OR (resid 23 and name HN and segid B) OR 
        (resid 25 and name HN and segid A) OR (resid 25 and name HN and segid B))
        2.900 1.100 1.100
! assign ((resid   9 and name HN))
!        ((resid   5 and name HN) or (resid   7 and name HN))
!         2.900 1.800 4.000 ! Commented out at user request by SparkyNOEcal.tcl
assign ((resid 11 and name HN and segid A) OR (resid 11 and name HN and segid B) OR 
        (resid 27 and name HN and segid A) OR (resid 27 and name HN and segid B))
       ((resid 23 and name HN and segid A) OR (resid 23 and name HN and segid B) OR 
        (resid 25 and name HN and segid A) OR (resid 25 and name HN and segid B))
        2.900 1.100 1.100
! assign ((resid   5 and name HN) or (resid   7 and name HN))
!        ((resid   8 and name HN))
!         2.900 1.800 4.000 ! Commented out at user request by SparkyNOEcal.tcl
assign ((resid 10 and name HN and segid A) OR (resid 10 and name HN and segid B) OR 
        (resid 14 and name HN and segid A) OR (resid 14 and name HN and segid B) OR 
        (resid 21 and name HN and segid A) OR (resid 21 and name HN and segid B))
       ((resid 15 and name HN and segid A) OR (resid 15 and name HN and segid B) OR 
        (resid 22 and name HN and segid A) OR (resid 22 and name HN and segid B))
        2.900 1.100 1.100
assign ((resid 23 and name HN and segid A) OR (resid 23 and name HN and segid B) OR 
        (resid 25 and name HN and segid A) OR (resid 25 and name HN and segid B))
       ((resid 15 and name HN and segid A) OR (resid 15 and name HN and segid B) OR 
        (resid 22 and name HN and segid A) OR (resid 22 and name HN and segid B))
        2.900 1.100 1.100
! assign ((resid   5 and name HN) or (resid   7 and name HN))
!        ((resid   9 and name HN))
!         3.400 1.800 5.000 ! Commented out at user request by SparkyNOEcal.tcl
assign ((resid 23 and name HN and segid A) OR (resid 23 and name HN and segid B) OR 
        (resid 25 and name HN and segid A) OR (resid 25 and name HN and segid B))
       ((resid 24 and name HN and segid A) OR (resid 24 and name HN and segid B))
        2.900 1.100 1.100
assign ((resid 11 and name HN and segid A) OR (resid 11 and name HN and segid B) OR 
        (resid 27 and name HN and segid A) OR (resid 27 and name HN and segid B))
       ((resid 24 and name HN and segid A) OR (resid 24 and name HN and segid B))
        3.400 1.600 1.600
assign ((resid 15 and name HN and segid A) OR (resid 15 and name HN and segid B) OR 
        (resid 22 and name HN and segid A) OR (resid 22 and name HN and segid B))
       ((resid 20 and name HN and segid A) OR (resid 20 and name HN and segid B))
        2.900 1.100 1.100
assign ((resid 15 and name HN and segid A) OR (resid 15 and name HN and segid B) OR 
        (resid 22 and name HN and segid A) OR (resid 22 and name HN and segid B))
       ((resid 24 and name HN and segid A) OR (resid 24 and name HN and segid B))
        2.900 1.100 1.100
assign ((resid 15 and name HN and segid A) OR (resid 15 and name HN and segid B) OR 
        (resid 22 and name HN and segid A) OR (resid 22 and name HN and segid B))
       ((resid 23 and name HN and segid A) OR (resid 23 and name HN and segid B) OR 
        (resid 25 and name HN and segid A) OR (resid 25 and name HN and segid B))
        2.900 1.100 1.100
! assign ((resid   8 and name HN))
!        ((resid   5 and name HN) or (resid   7 and name HN))
!         2.900 1.800 4.000 ! Commented out at user request by SparkyNOEcal.tcl
assign ((resid 23 and name HN and segid A) OR (resid 23 and name HN and segid B) OR 
        (resid 25 and name HN and segid A) OR (resid 25 and name HN and segid B))
       ((resid 11 and name HN and segid A) OR (resid 11 and name HN and segid B) OR 
        (resid 27 and name HN and segid A) OR (resid 27 and name HN and segid B))
        2.900 1.100 1.100
assign ((resid 24 and name HN and segid A) OR (resid 24 and name HN and segid B))
       ((resid 11 and name HN and segid A) OR (resid 11 and name HN and segid B) OR 
        (resid 27 and name HN and segid A) OR (resid 27 and name HN and segid B))
        2.900 1.100 1.100
assign ((resid 15 and name HN and segid A) OR (resid 15 and name HN and segid B) OR 
        (resid 22 and name HN and segid A) OR (resid 22 and name HN and segid B))
       ((resid 21 and name HN and segid A) OR (resid 21 and name HN and segid B))
        2.900 1.100 1.100
assign ((resid  3 and name HA and segid A) OR (resid  3 and name HA and segid B) OR 
        (resid  7 and name HA and segid A) OR (resid  7 and name HA and segid B))
       ((resid  9 and name HN and segid A) OR (resid  9 and name HN and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (29 viol avg 0.529)
assign ((resid 21 and name HB and segid A) OR (resid 21 and name HB and segid B))
       ((resid 15 and name HN and segid A) OR (resid 15 and name HN and segid B) OR 
        (resid 22 and name HN and segid A) OR (resid 22 and name HN and segid B))
        2.900 1.100 1.100
! assign ((resid   5 and name HA) or (resid   16 and name HA))
!        ((resid   12 and name HN))
!         2.300 1.800 2.800 ! Commented out at user request by SparkyNOEcal.tcl
assign ((resid  4 and name HA and segid A) OR (resid  4 and name HA and segid B) OR 
        (resid  6 and name HA and segid A) OR (resid  6 and name HA and segid B))
       ((resid  9 and name HN and segid A) OR (resid  9 and name HN and segid B))
        2.900 1.100 1.100
! assign ((resid   5 and name HA) or (resid   16 and name HA))
!        ((resid   17 and name HN))
!         2.900 1.800 4.000 ! Commented out at user request by SparkyNOEcal.tcl
assign ((resid 13 and name HA and segid A) OR (resid 13 and name HA and segid B) OR 
        (resid 21 and name HA and segid A) OR (resid 21 and name HA and segid B))
       ((resid 24 and name HN and segid A) OR (resid 24 and name HN and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (13 viol avg 0.464)
assign ((resid 13 and name HA and segid A) OR (resid 13 and name HA and segid B) OR 
        (resid 21 and name HA and segid A) OR (resid 21 and name HA and segid B))
       ((resid 17 and name HN and segid A) OR (resid 17 and name HN and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 3. (16 viol avg 0.551)
! assign ((resid   8 and name HA))
!        ((resid   5 and name HN) or (resid   7 and name HN))
!         2.900 1.800 4.000 ! Commented out at user request by SparkyNOEcal.tcl
assign ((resid 22 and name HA and segid A) OR (resid 22 and name HA and segid B))
       ((resid 23 and name HN and segid A) OR (resid 23 and name HN and segid B) OR 
        (resid 25 and name HN and segid A) OR (resid 25 and name HN and segid B))
        2.900 1.100 1.100
assign ((resid 13 and name HA and segid A) OR (resid 13 and name HA and segid B) OR 
        (resid 21 and name HA and segid A) OR (resid 21 and name HA and segid B))
       ((resid 16 and name HN and segid A) OR (resid 16 and name HN and segid B))
        2.900 1.100 1.100
! assign ((resid   9 and name HA))
!        ((resid   5 and name HN) or (resid   7 and name HN))
!         2.900 1.800 4.000 ! Commented out at user request by SparkyNOEcal.tcl
assign ((resid 24 and name HA and segid A) OR (resid 24 and name HA and segid B))
       ((resid 23 and name HN and segid A) OR (resid 23 and name HN and segid B) OR 
        (resid 25 and name HN and segid A) OR (resid 25 and name HN and segid B))
        2.900 1.100 1.100
assign ((resid  4 and name HA and segid A) OR (resid  4 and name HA and segid B) OR 
        (resid  6 and name HA and segid A) OR (resid  6 and name HA and segid B))
       ((resid  8 and name HN and segid A) OR (resid  8 and name HN and segid B))
        2.900 1.100 1.100
assign ((resid 19 and name HA and segid A) OR (resid 19 and name HA and segid B))
       ((resid 15 and name HN and segid A) OR (resid 15 and name HN and segid B) OR 
        (resid 22 and name HN and segid A) OR (resid 22 and name HN and segid B))
        2.900 1.100 1.100
assign ((resid 13 and name HA and segid A) OR (resid 13 and name HA and segid B) OR 
        (resid 21 and name HA and segid A) OR (resid 21 and name HA and segid B))
       ((resid 15 and name HN and segid A) OR (resid 15 and name HN and segid B) OR 
        (resid 22 and name HN and segid A) OR (resid 22 and name HN and segid B))
        2.900 1.100 1.100
assign ((resid 20 and name HA and segid A) OR (resid 20 and name HA and segid B))
       ((resid 15 and name HN and segid A) OR (resid 15 and name HN and segid B) OR 
        (resid 22 and name HN and segid A) OR (resid 22 and name HN and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (29 viol avg 0.422)
assign ((resid 23 and name HA and segid A) OR (resid 23 and name HA and segid B))
       ((resid 15 and name HN and segid A) OR (resid 15 and name HN and segid B) OR 
        (resid 22 and name HN and segid A) OR (resid 22 and name HN and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 4. (33 viol avg 0.165)
assign ((resid 13 and name HB* and segid A) OR (resid 13 and name HB* and segid B) OR 
        (resid 20 and name HB and segid A) OR (resid 20 and name HB and segid B) OR 
        (resid 22 and name HB and segid A) OR (resid 22 and name HB and segid B))
       ((resid 23 and name HN and segid A) OR (resid 23 and name HN and segid B) OR 
        (resid 25 and name HN and segid A) OR (resid 25 and name HN and segid B))
        2.900 1.100 1.100
assign ((resid 24 and name HB* and segid A) OR (resid 24 and name HB* and segid B))
       ((resid 23 and name HN and segid A) OR (resid 23 and name HN and segid B) OR 
        (resid 25 and name HN and segid A) OR (resid 25 and name HN and segid B))
        2.900 1.100 1.100
assign ((resid 21 and name HG2* and segid A) OR (resid 21 and name HG2* and segid B))
       ((resid 15 and name HN and segid A) OR (resid 15 and name HN and segid B) OR 
        (resid 22 and name HN and segid A) OR (resid 22 and name HN and segid B))
        2.900 1.100 1.100
assign ((resid 15 and name HN and segid A) OR (resid 15 and name HN and segid B) OR 
        (resid 22 and name HN and segid A) OR (resid 22 and name HN and segid B))
       ((resid 21 and name HB and segid A) OR (resid 21 and name HB and segid B))
        2.900 1.100 1.100
assign ((resid 11 and name HN and segid A) OR (resid 11 and name HN and segid B) OR 
        (resid 27 and name HN and segid A) OR (resid 27 and name HN and segid B))
       ((resid 25 and name HA and segid A) OR (resid 25 and name HA and segid B))
        2.900 1.100 1.100
assign ((resid  9 and name HN and segid A) OR (resid  9 and name HN and segid B))
       ((resid  4 and name HA and segid A) OR (resid  4 and name HA and segid B) OR 
        (resid  6 and name HA and segid A) OR (resid  6 and name HA and segid B))
        2.900 1.100 1.100
assign ((resid  8 and name HN and segid A) OR (resid  8 and name HN and segid B))
       ((resid  4 and name HA and segid A) OR (resid  4 and name HA and segid B) OR 
        (resid  6 and name HA and segid A) OR (resid  6 and name HA and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (23 viol avg 0.541)
! assign ((resid   12 and name HN))
!        ((resid   5 and name HA) or (resid   16 and name HA))
!         2.300 1.800 2.800 ! Commented out at user request by SparkyNOEcal.tcl
assign ((resid 24 and name HN and segid A) OR (resid 24 and name HN and segid B))
       ((resid 13 and name HA and segid A) OR (resid 13 and name HA and segid B) OR 
        (resid 21 and name HA and segid A) OR (resid 21 and name HA and segid B))
        2.900 1.100 1.100
assign ((resid 15 and name HN and segid A) OR (resid 15 and name HN and segid B) OR 
        (resid 22 and name HN and segid A) OR (resid 22 and name HN and segid B))
       ((resid 13 and name HA and segid A) OR (resid 13 and name HA and segid B) OR 
        (resid 21 and name HA and segid A) OR (resid 21 and name HA and segid B))
        2.900 1.100 1.100
assign ((resid 15 and name HN and segid A) OR (resid 15 and name HN and segid B) OR 
        (resid 22 and name HN and segid A) OR (resid 22 and name HN and segid B))
       ((resid 19 and name HA and segid A) OR (resid 19 and name HA and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (14 viol avg 0.487)
assign ((resid 23 and name HN and segid A) OR (resid 23 and name HN and segid B) OR 
        (resid 25 and name HN and segid A) OR (resid 25 and name HN and segid B))
       ((resid 22 and name HA and segid A) OR (resid 22 and name HA and segid B))
        2.900 1.100 1.100
assign ((resid 11 and name HN and segid A) OR (resid 11 and name HN and segid B) OR 
        (resid 27 and name HN and segid A) OR (resid 27 and name HN and segid B))
       ((resid 23 and name HA and segid A) OR (resid 23 and name HA and segid B))
        2.900 1.100 1.100
assign ((resid 16 and name HN and segid A) OR (resid 16 and name HN and segid B))
       ((resid 13 and name HA and segid A) OR (resid 13 and name HA and segid B) OR 
        (resid 21 and name HA and segid A) OR (resid 21 and name HA and segid B))
        2.900 1.100 1.100
! assign ((resid   5 and name HN) or (resid   7 and name HN))
!        ((resid   8 and name HA))
!         2.900 1.800 4.000 ! Commented out at user request by SparkyNOEcal.tcl
assign ((resid 11 and name HN and segid A) OR (resid 11 and name HN and segid B) OR 
        (resid 27 and name HN and segid A) OR (resid 27 and name HN and segid B))
       ((resid 22 and name HA and segid A) OR (resid 22 and name HA and segid B))
        2.900 1.100 1.100
! assign ((resid   5 and name HN) or (resid   7 and name HN))
!        ((resid   9 and name HA))
!         2.900 1.800 4.000 ! Commented out at user request by SparkyNOEcal.tcl
assign ((resid 15 and name HN and segid A) OR (resid 15 and name HN and segid B) OR 
        (resid 22 and name HN and segid A) OR (resid 22 and name HN and segid B))
       ((resid 23 and name HA and segid A) OR (resid 23 and name HA and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 4. (33 viol avg 0.165)
assign ((resid 15 and name HN and segid A) OR (resid 15 and name HN and segid B) OR 
        (resid 22 and name HN and segid A) OR (resid 22 and name HN and segid B))
       ((resid 20 and name HA and segid A) OR (resid 20 and name HA and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (29 viol avg 0.422)
assign ((resid  8 and name HA and segid A) OR (resid  8 and name HA and segid B))
       ((resid 11 and name HA and segid A) OR (resid 11 and name HA and segid B) OR 
        (resid 18 and name HA and segid A) OR (resid 18 and name HA and segid B))
        3.900 2.100 2.100 ! incr to 6.0 after round 3. (21 viol avg 0.464)
! assign ((resid   10 and name HA))
!        ((resid   5 and name HA) or (resid   16 and name HA))
!         2.300 1.800 2.800 ! Commented out at user request by SparkyNOEcal.tcl
! assign ((resid   5 and name HA))
!        ((resid   4 and name HA) or (resid   6 and name HA))
!         2.900 1.800 4.000 ! Commented out at user request by SparkyNOEcal.tcl
assign ((resid 24 and name HA and segid A) OR (resid 24 and name HA and segid B))
       ((resid 13 and name HA and segid A) OR (resid 13 and name HA and segid B) OR 
        (resid 21 and name HA and segid A) OR (resid 21 and name HA and segid B))
        3.900 2.100 2.100 ! incr to 6.0 after round 4. (13 viol avg 0.257)
! assign ((resid   5 and name HA) or (resid   16 and name HA))
!        ((resid   10 and name HA))
!         2.900 1.800 4.000 ! Commented out at user request by SparkyNOEcal.tcl
assign ((resid 10 and name HA and segid A) OR (resid 10 and name HA and segid B))
       ((resid 13 and name HA and segid A) OR (resid 13 and name HA and segid B) OR 
        (resid 21 and name HA and segid A) OR (resid 21 and name HA and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 3. (22 viol avg 0.423)
assign ((resid 22 and name HA and segid A) OR (resid 22 and name HA and segid B))
       ((resid 13 and name HA and segid A) OR (resid 13 and name HA and segid B) OR 
        (resid 21 and name HA and segid A) OR (resid 21 and name HA and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 4. (16 viol avg 0.147)
assign ((resid 13 and name HA and segid A) OR (resid 13 and name HA and segid B) OR 
        (resid 21 and name HA and segid A) OR (resid 21 and name HA and segid B))
       ((resid 22 and name HA and segid A) OR (resid 22 and name HA and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 4. (16 viol avg 0.147)
assign ((resid  7 and name HB* and segid A) OR (resid  7 and name HB* and segid B))
       ((resid  4 and name HA and segid A) OR (resid  4 and name HA and segid B) OR 
        (resid  6 and name HA and segid A) OR (resid  6 and name HA and segid B))
        2.900 1.100 1.100
assign ((resid  8 and name HB and segid A) OR (resid  8 and name HB and segid B))
       ((resid  4 and name HA and segid A) OR (resid  4 and name HA and segid B) OR 
        (resid  6 and name HA and segid A) OR (resid  6 and name HA and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 3. (14 viol avg 0.439)
assign ((resid 16 and name HB* and segid A) OR (resid 16 and name HB* and segid B))
       ((resid 13 and name HA and segid A) OR (resid 13 and name HA and segid B) OR 
        (resid 21 and name HA and segid A) OR (resid 21 and name HA and segid B))
        2.900 1.100 1.100
assign ((resid 16 and name HG and segid A) OR (resid 16 and name HG and segid B))
       ((resid 13 and name HA and segid A) OR (resid 13 and name HA and segid B) OR 
        (resid 21 and name HA and segid A) OR (resid 21 and name HA and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 3. (11 viol avg 0.541)
assign ((resid 27 and name HG* and segid A) OR (resid 27 and name HG* and segid B))
       ((resid 26 and name HE* and segid A) OR (resid 26 and name HE* and segid B) OR 
        (resid 27 and name HE* and segid A) OR (resid 27 and name HE* and segid B))
        3.400 1.600 1.600
assign ((resid 27 and name HD* and segid A) OR (resid 27 and name HD* and segid B))
       ((resid 26 and name HE* and segid A) OR (resid 26 and name HE* and segid B) OR 
        (resid 27 and name HE* and segid A) OR (resid 27 and name HE* and segid B))
        3.400 1.600 1.600
assign ((resid  4 and name HA and segid A) OR (resid  4 and name HA and segid B) OR 
        (resid  6 and name HA and segid A) OR (resid  6 and name HA and segid B))
       ((resid  7 and name HB* and segid A) OR (resid  7 and name HB* and segid B))
        2.900 1.100 1.100
assign ((resid  4 and name HA and segid A) OR (resid  4 and name HA and segid B) OR 
        (resid  6 and name HA and segid A) OR (resid  6 and name HA and segid B))
       ((resid  8 and name HB and segid A) OR (resid  8 and name HB and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 3. (14 viol avg 0.439)
assign ((resid 19 and name HA and segid A) OR (resid 19 and name HA and segid B))
       ((resid 13 and name HB* and segid A) OR (resid 13 and name HB* and segid B) OR 
        (resid 20 and name HB and segid A) OR (resid 20 and name HB and segid B) OR 
        (resid 22 and name HB and segid A) OR (resid 22 and name HB and segid B))
        2.900 1.100 1.100
assign ((resid 13 and name HA and segid A) OR (resid 13 and name HA and segid B) OR 
        (resid 21 and name HA and segid A) OR (resid 21 and name HA and segid B))
       ((resid 16 and name HB* and segid A) OR (resid 16 and name HB* and segid B))
        2.900 1.100 1.100
assign ((resid 24 and name HG and segid A) OR (resid 24 and name HG and segid B))
       ((resid 23 and name HN and segid A) OR (resid 23 and name HN and segid B) OR 
        (resid 25 and name HN and segid A) OR (resid 25 and name HN and segid B))
        2.900 1.100 1.100
! assign ((resid   5 and name HA) or (resid   16 and name HA))
!        ((resid   17 and name HB*))
!         2.900 1.800 4.000 ! Commented out at user request by SparkyNOEcal.tcl
assign ((resid 11 and name HN and segid A) OR (resid 11 and name HN and segid B) OR 
        (resid 27 and name HN and segid A) OR (resid 27 and name HN and segid B))
       ((resid 25 and name HD* and segid A) OR (resid 25 and name HD* and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 4. (24 viol avg 0.174)
assign ((resid 25 and name HD* and segid A) OR (resid 25 and name HD* and segid B))
       ((resid 11 and name HN and segid A) OR (resid 11 and name HN and segid B) OR 
        (resid 27 and name HN and segid A) OR (resid 27 and name HN and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 4. (24 viol avg 0.174)
assign ((resid 27 and name H2 and segid A) OR (resid 27 and name H2 and segid B))
       ((resid 15 and name HA and segid A) OR (resid 15 and name HA and segid B) OR 
        (resid 26 and name HA and segid A) OR (resid 26 and name HA and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 4. (18 viol avg 0.139)
assign ((resid 13 and name HA and segid A) OR (resid 13 and name HA and segid B) OR 
        (resid 21 and name HA and segid A) OR (resid 21 and name HA and segid B))
       ((resid 25 and name HD* and segid A) OR (resid 25 and name HD* and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (10 viol avg 0.471)
assign ((resid 11 and name HB* and segid A) OR (resid 11 and name HB* and segid B))
       ((resid 10 and name HN and segid A) OR (resid 10 and name HN and segid B) OR 
        (resid 14 and name HN and segid A) OR (resid 14 and name HN and segid B))
        2.900 1.100 1.100
assign ((resid 25 and name HB* and segid A) OR (resid 25 and name HB* and segid B))
       ((resid 23 and name HN and segid A) OR (resid 23 and name HN and segid B) OR 
        (resid 25 and name HN and segid A) OR (resid 25 and name HN and segid B))
        2.900 1.100 1.100
! assign ((resid   13 and name HN))
!        ((resid   5 and name HA) or (resid   16 and name HA))
!         2.300 1.800 2.800 ! Commented out at user request by SparkyNOEcal.tcl
! assign ((resid   8 and name HB))
!        ((resid   5 and name HN) or (resid   7 and name HN))
!         2.900 1.800 4.000 ! Commented out at user request by SparkyNOEcal.tcl
! assign ((resid   5 and name HA) or (resid   16 and name HA))
!        ((resid   18 and name HN))
!         2.900 1.800 4.000 ! Commented out at user request by SparkyNOEcal.tcl
assign ((resid 13 and name HA and segid A) OR (resid 13 and name HA and segid B) OR 
        (resid 21 and name HA and segid A) OR (resid 21 and name HA and segid B))
       ((resid 18 and name HN and segid A) OR (resid 18 and name HN and segid B))
        3.900 2.100 2.100 ! still violating at 6.0 after round 9. (5 viol avg 0.062)
assign ((resid 26 and name HE* and segid A) OR (resid 26 and name HE* and segid B) OR 
        (resid 27 and name HE* and segid A) OR (resid 27 and name HE* and segid B))
       ((resid 27 and name HN and segid A) OR (resid 27 and name HN and segid B))
        2.900 1.100 1.100
! assign ((resid   15 and name HN) or (resid   22 and name HN))
!        ((resid   5 and name HA) or (resid   16 and name HA))
!         2.300 1.800 2.800 ! Commented out at user request by SparkyNOEcal.tcl
assign ((resid 10 and name HA and segid A) OR (resid 10 and name HA and segid B))
       ((resid 11 and name HN and segid A) OR (resid 11 and name HN and segid B) OR 
        (resid 27 and name HN and segid A) OR (resid 27 and name HN and segid B))
        2.900 1.100 1.100
assign ((resid 19 and name HN and segid A) OR (resid 19 and name HN and segid B) OR 
        (resid 20 and name HN and segid A) OR (resid 20 and name HN and segid B))
       ((resid 16 and name HA and segid A) OR (resid 16 and name HA and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (18 viol avg 0.600)
assign ((resid 20 and name HG** and segid A) OR (resid 20 and name HG** and segid B) OR 
        (resid 22 and name HG** and segid A) OR (resid 22 and name HG** and segid B))
       ((resid 21 and name HA and segid A) OR (resid 21 and name HA and segid B))
        2.900 1.100 1.100
! assign ((resid   5 and name HD**) or (resid   6 and name HD**))
!        ((resid   3 and name HN))
!         2.900 1.800 4.000 ! Commented out at user request by SparkyNOEcal.tcl
assign ((resid 20 and name HG** and segid A) OR (resid 20 and name HG** and segid B) OR 
        (resid 22 and name HG** and segid A) OR (resid 22 and name HG** and segid B))
       ((resid 17 and name HN and segid A) OR (resid 17 and name HN and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 2. (33 viol avg 0.863)
assign ((resid 20 and name HG** and segid A) OR (resid 20 and name HG** and segid B) OR 
        (resid 22 and name HG** and segid A) OR (resid 22 and name HG** and segid B))
       ((resid 21 and name HN and segid A) OR (resid 21 and name HN and segid B))
        2.900 1.100 1.100
assign ((resid  6 and name HB* and segid A) OR (resid  6 and name HB* and segid B) OR 
        (resid  9 and name HB* and segid A) OR (resid  9 and name HB* and segid B))
       ((resid  7 and name HD2 and segid A) OR (resid  7 and name HD2 and segid B))
        2.300 0.500 0.500
assign ((resid 25 and name HD* and segid A) OR (resid 25 and name HD* and segid B))
       ((resid 13 and name HA and segid A) OR (resid 13 and name HA and segid B) OR 
        (resid 21 and name HA and segid A) OR (resid 21 and name HA and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (10 viol avg 0.471)
assign ((resid 15 and name HN and segid A) OR (resid 15 and name HN and segid B))
       ((resid 15 and name HD** and segid A) OR (resid 15 and name HD** and segid B) OR 
        (resid 16 and name HD** and segid A) OR (resid 16 and name HD** and segid B))
        2.900 1.100 1.100
assign ((resid 13 and name HB* and segid A) OR (resid 13 and name HB* and segid B) OR 
        (resid 20 and name HB and segid A) OR (resid 20 and name HB and segid B) OR 
        (resid 22 and name HB and segid A) OR (resid 22 and name HB and segid B))
       ((resid 21 and name HB and segid A) OR (resid 21 and name HB and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 4. (18 viol avg 0.237)
! assign ((resid   19 and name HB*))
!        ((resid   5 and name HA) or (resid   16 and name HA))
!         3.400 1.800 5.000 ! Commented out at user request by SparkyNOEcal.tcl
assign ((resid 25 and name HE* and segid A) OR (resid 25 and name HE* and segid B))
       ((resid 11 and name HN and segid A) OR (resid 11 and name HN and segid B) OR 
        (resid 27 and name HN and segid A) OR (resid 27 and name HN and segid B))
        3.900 2.100 2.100 ! incr to 6.0 after round 3. (19 viol avg 0.404)
assign ((resid 20 and name HG** and segid A) OR (resid 20 and name HG** and segid B) OR 
        (resid 22 and name HG** and segid A) OR (resid 22 and name HG** and segid B))
       ((resid 13 and name HA and segid A) OR (resid 13 and name HA and segid B) OR 
        (resid 21 and name HA and segid A) OR (resid 21 and name HA and segid B))
        2.900 1.100 1.100
assign ((resid 19 and name HN and segid A) OR (resid 19 and name HN and segid B) OR 
        (resid 20 and name HN and segid A) OR (resid 20 and name HN and segid B))
       ((resid 17 and name HN and segid A) OR (resid 17 and name HN and segid B))
        2.900 1.100 1.100
! assign ((resid   9 and name HB*))
!        ((resid   5 and name HN) or (resid   7 and name HN))
!         2.900 1.800 4.000 ! Commented out at user request by SparkyNOEcal.tcl
assign ((resid  8 and name HB and segid A) OR (resid  8 and name HB and segid B))
       ((resid 23 and name HN and segid A) OR (resid 23 and name HN and segid B) OR 
        (resid 25 and name HN and segid A) OR (resid 25 and name HN and segid B))
        3.900 2.100 2.100 ! still violating at 6.0 after round 6. (9 viol avg 0.097)
assign ((resid 25 and name HB* and segid A) OR (resid 25 and name HB* and segid B))
       ((resid 11 and name HN and segid A) OR (resid 11 and name HN and segid B) OR 
        (resid 27 and name HN and segid A) OR (resid 27 and name HN and segid B))
        2.900 1.100 1.100
! assign ((resid   5 and name HD**) or (resid   6 and name HD**))
!        ((resid   3 and name HA))
!         2.900 1.800 4.000 ! Commented out at user request by SparkyNOEcal.tcl
assign ((resid 20 and name HG** and segid A) OR (resid 20 and name HG** and segid B) OR 
        (resid 22 and name HG** and segid A) OR (resid 22 and name HG** and segid B))
       ((resid 18 and name HA and segid A) OR (resid 18 and name HA and segid B))
        2.900 1.100 1.100
assign ((resid 20 and name HG** and segid A) OR (resid 20 and name HG** and segid B) OR 
        (resid 22 and name HG** and segid A) OR (resid 22 and name HG** and segid B))
       ((resid 17 and name HA and segid A) OR (resid 17 and name HA and segid B))
        2.900 1.100 1.100
assign ((resid 20 and name HG** and segid A) OR (resid 20 and name HG** and segid B) OR 
        (resid 22 and name HG** and segid A) OR (resid 22 and name HG** and segid B))
       ((resid 21 and name HB and segid A) OR (resid 21 and name HB and segid B))
        2.900 1.100 1.100
assign ((resid 20 and name HG** and segid A) OR (resid 20 and name HG** and segid B) OR 
        (resid 22 and name HG** and segid A) OR (resid 22 and name HG** and segid B))
       ((resid 19 and name HA and segid A) OR (resid 19 and name HA and segid B))
        3.400 1.600 1.600
assign ((resid 24 and name HD** and segid A) OR (resid 24 and name HD** and segid B))
       ((resid 13 and name HA and segid A) OR (resid 13 and name HA and segid B) OR 
        (resid 21 and name HA and segid A) OR (resid 21 and name HA and segid B))
        2.900 1.100 1.100
assign ((resid  6 and name HD** and segid A) OR (resid  6 and name HD** and segid B) OR 
        (resid 10 and name HG** and segid A) OR (resid 10 and name HG** and segid B))
       ((resid  8 and name HA and segid A) OR (resid  8 and name HA and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 4. (10 viol avg 0.269)
assign ((resid 23 and name HG** and segid A) OR (resid 23 and name HG** and segid B))
       ((resid 13 and name HA and segid A) OR (resid 13 and name HA and segid B) OR 
        (resid 21 and name HA and segid A) OR (resid 21 and name HA and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 3. (16 viol avg 0.456)
! assign ((resid   5 and name HD**) or (resid   16 and name HD**))
!        ((resid   12 and name HA*))
!         2.300 1.800 2.800 ! Commented out at user request by SparkyNOEcal.tcl
assign ((resid 15 and name HD** and segid A) OR (resid 15 and name HD** and segid B) OR 
        (resid 16 and name HD** and segid A) OR (resid 16 and name HD** and segid B))
       ((resid 17 and name HN and segid A) OR (resid 17 and name HN and segid B))
        2.900 1.100 1.100
! assign ((resid   3 and name HN))
!        ((resid   5 and name HD**) or (resid   6 and name HD**))
!         2.900 1.800 4.000 ! Commented out at user request by SparkyNOEcal.tcl
! assign ((resid   13 and name HN))
!        ((resid   5 and name HD**) or (resid   16 and name HD**))
!         2.300 1.800 2.800 ! Commented out at user request by SparkyNOEcal.tcl
assign ((resid 24 and name HN and segid A) OR (resid 24 and name HN and segid B))
       ((resid 20 and name HG** and segid A) OR (resid 20 and name HG** and segid B) OR 
        (resid 22 and name HG** and segid A) OR (resid 22 and name HG** and segid B))
        2.900 1.100 1.100
assign ((resid 19 and name HN and segid A) OR (resid 19 and name HN and segid B) OR 
        (resid 20 and name HN and segid A) OR (resid 20 and name HN and segid B))
       ((resid 24 and name HD** and segid A) OR (resid 24 and name HD** and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 3. (19 viol avg 0.491)
assign ((resid 19 and name HN and segid A) OR (resid 19 and name HN and segid B) OR 
        (resid 20 and name HN and segid A) OR (resid 20 and name HN and segid B))
       ((resid 16 and name HB* and segid A) OR (resid 16 and name HB* and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 7. (8 viol avg 0.102)
assign ((resid 23 and name HN and segid A) OR (resid 23 and name HN and segid B) OR 
        (resid 25 and name HN and segid A) OR (resid 25 and name HN and segid B))
       ((resid 26 and name HB* and segid A) OR (resid 26 and name HB* and segid B))
        2.900 1.100 1.100
! assign ((resid   5 and name HN) or (resid   7 and name HN))
!        ((resid   9 and name HB*))
!         2.900 1.800 4.000 ! Commented out at user request by SparkyNOEcal.tcl
assign ((resid 23 and name HN and segid A) OR (resid 23 and name HN and segid B) OR 
        (resid 25 and name HN and segid A) OR (resid 25 and name HN and segid B))
       ((resid 24 and name HB* and segid A) OR (resid 24 and name HB* and segid B))
        2.900 1.100 1.100
assign ((resid 23 and name HN and segid A) OR (resid 23 and name HN and segid B) OR 
        (resid 25 and name HN and segid A) OR (resid 25 and name HN and segid B))
       ((resid 24 and name HG and segid A) OR (resid 24 and name HG and segid B))
        2.900 1.100 1.100
assign ((resid 23 and name HN and segid A) OR (resid 23 and name HN and segid B) OR 
        (resid 25 and name HN and segid A) OR (resid 25 and name HN and segid B))
       ((resid 21 and name HG2* and segid A) OR (resid 21 and name HG2* and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 4. (26 viol avg 0.258)
assign ((resid 23 and name HN and segid A) OR (resid 23 and name HN and segid B))
       ((resid 20 and name HG** and segid A) OR (resid 20 and name HG** and segid B) OR 
        (resid 22 and name HG** and segid A) OR (resid 22 and name HG** and segid B))
        3.400 1.600 1.600
assign ((resid 21 and name HN and segid A) OR (resid 21 and name HN and segid B))
       ((resid 20 and name HG** and segid A) OR (resid 20 and name HG** and segid B) OR 
        (resid 22 and name HG** and segid A) OR (resid 22 and name HG** and segid B))
        2.900 1.100 1.100
assign ((resid 17 and name HN and segid A) OR (resid 17 and name HN and segid B))
       ((resid 20 and name HG** and segid A) OR (resid 20 and name HG** and segid B) OR 
        (resid 22 and name HG** and segid A) OR (resid 22 and name HG** and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 2. (33 viol avg 0.863)
! assign ((resid   5 and name HN) or (resid   7 and name HN))
!        ((resid   8 and name HD1*))
!         3.400 1.800 5.000 ! Commented out at user request by SparkyNOEcal.tcl
assign ((resid  8 and name HN and segid A) OR (resid  8 and name HN and segid B))
       ((resid  6 and name HD** and segid A) OR (resid  6 and name HD** and segid B) OR 
        (resid 10 and name HG** and segid A) OR (resid 10 and name HG** and segid B))
        3.400 1.600 1.600
assign ((resid 23 and name HN and segid A) OR (resid 23 and name HN and segid B) OR 
        (resid 25 and name HN and segid A) OR (resid 25 and name HN and segid B))
       ((resid 24 and name HD** and segid A) OR (resid 24 and name HD** and segid B))
        2.900 1.100 1.100
assign ((resid 23 and name HN and segid A) OR (resid 23 and name HN and segid B) OR 
        (resid 25 and name HN and segid A) OR (resid 25 and name HN and segid B))
       ((resid 24 and name HD** and segid A) OR (resid 24 and name HD** and segid B))
        2.900 1.100 1.100
! assign ((resid   5 and name HN) or (resid   7 and name HN))
!        ((resid   5 and name HD**))
!         3.400 1.800 5.000 ! Commented out at user request by SparkyNOEcal.tcl
assign ((resid  7 and name HD2 and segid A) OR (resid  7 and name HD2 and segid B) OR 
        (resid 11 and name HZ and segid A) OR (resid 11 and name HZ and segid B))
       ((resid  8 and name HD1* and segid A) OR (resid  8 and name HD1* and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 6. (8 viol avg 0.091)
assign ((resid  7 and name HD2 and segid A) OR (resid  7 and name HD2 and segid B) OR 
        (resid 11 and name HZ and segid A) OR (resid 11 and name HZ and segid B))
       ((resid  6 and name HD** and segid A) OR (resid  6 and name HD** and segid B) OR 
        (resid 10 and name HG** and segid A) OR (resid 10 and name HG** and segid B))
        2.900 1.100 1.100
! assign ((resid   11 and name HD*))
!        ((resid   5 and name HD**) or (resid   16 and name HD**))
!         2.900 1.800 4.000 ! Commented out at user request by SparkyNOEcal.tcl
! assign ((resid   11 and name HE*))
!        ((resid   5 and name HD**) or (resid   16 and name HD**))
!         2.900 1.800 4.000 ! Commented out at user request by SparkyNOEcal.tcl
assign ((resid 25 and name HD* and segid A) OR (resid 25 and name HD* and segid B))
       ((resid 20 and name HG** and segid A) OR (resid 20 and name HG** and segid B) OR 
        (resid 22 and name HG** and segid A) OR (resid 22 and name HG** and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (10 viol avg 0.342)
assign ((resid 25 and name HE* and segid A) OR (resid 25 and name HE* and segid B))
       ((resid 20 and name HG** and segid A) OR (resid 20 and name HG** and segid B) OR 
        (resid 22 and name HG** and segid A) OR (resid 22 and name HG** and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 7. (7 viol avg 0.083)
assign ((resid 25 and name HE* and segid A) OR (resid 25 and name HE* and segid B))
       ((resid 20 and name HG** and segid A) OR (resid 20 and name HG** and segid B) OR 
        (resid 22 and name HG** and segid A) OR (resid 22 and name HG** and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 7. (7 viol avg 0.083)
assign ((resid 12 and name HN and segid A) OR (resid 12 and name HN and segid B))
       ((resid  8 and name HG* and segid A) OR (resid  8 and name HG* and segid B) OR 
        (resid 15 and name HB* and segid A) OR (resid 15 and name HB* and segid B) OR 
        (resid 16 and name HB* and segid A) OR (resid 16 and name HB* and segid B))
        2.900 1.100 1.100
assign ((resid  7 and name HD2 and segid A) OR (resid  7 and name HD2 and segid B))
       ((resid  6 and name HB* and segid A) OR (resid  6 and name HB* and segid B) OR 
        (resid  9 and name HB* and segid A) OR (resid  9 and name HB* and segid B))
        2.300 0.500 0.500
assign ((resid  4 and name HN and segid A) OR (resid  4 and name HN and segid B))
       ((resid  2 and name HD1* and segid A) OR (resid  2 and name HD1* and segid B) OR 
        (resid  6 and name HD** and segid A) OR (resid  6 and name HD** and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 3. (21 viol avg 0.436)
assign ((resid  6 and name HD** and segid A) OR (resid  6 and name HD** and segid B) OR 
        (resid 10 and name HG** and segid A) OR (resid 10 and name HG** and segid B))
       ((resid  8 and name HB and segid A) OR (resid  8 and name HB and segid B))
        3.400 1.600 1.600
assign ((resid 26 and name HB* and segid A) OR (resid 26 and name HB* and segid B) OR 
        (resid 27 and name HB* and segid A) OR (resid 27 and name HB* and segid B))
       ((resid 26 and name HG* and segid A) OR (resid 26 and name HG* and segid B) OR 
        (resid 27 and name HG* and segid A) OR (resid 27 and name HG* and segid B))
        3.400 1.600 1.600
assign ((resid 25 and name HE* and segid A) OR (resid 25 and name HE* and segid B))
       ((resid 26 and name HG* and segid A) OR (resid 26 and name HG* and segid B) OR 
        (resid 27 and name HG* and segid A) OR (resid 27 and name HG* and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 8. (7 viol avg 0.119)
assign ((resid 11 and name HA and segid A) OR (resid 11 and name HA and segid B) OR 
        (resid 18 and name HA and segid A) OR (resid 18 and name HA and segid B))
       ((resid 14 and name HB* and segid A) OR (resid 14 and name HB* and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 3. (12 viol avg 0.427)
assign ((resid 16 and name HA and segid A) OR (resid 16 and name HA and segid B))
       ((resid 19 and name HN and segid A) OR (resid 19 and name HN and segid B) OR 
        (resid 20 and name HN and segid A) OR (resid 20 and name HN and segid B))
        2.900 1.100 1.100
! assign ((resid   5 and name HN) or (resid   7 and name HN))
!        ((resid   4 and name HN))
!         2.900 1.800 4.000 ! Commented out at user request by SparkyNOEcal.tcl
assign ((resid  8 and name HA and segid A) OR (resid  8 and name HA and segid B))
       ((resid  4 and name HA and segid A) OR (resid  4 and name HA and segid B) OR 
        (resid  6 and name HA and segid A) OR (resid  6 and name HA and segid B))
        3.900 2.100 2.100 ! incr to 6.0 after round 4. (18 viol avg 0.254)
assign ((resid 22 and name HA and segid A) OR (resid 22 and name HA and segid B))
       ((resid 24 and name HA and segid A) OR (resid 24 and name HA and segid B) OR 
        (resid 26 and name HA and segid A) OR (resid 26 and name HA and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 4. (43 viol avg 0.341)
assign ((resid 24 and name HA and segid A) OR (resid 24 and name HA and segid B) OR 
        (resid 26 and name HA and segid A) OR (resid 26 and name HA and segid B))
       ((resid 25 and name HE* and segid A) OR (resid 25 and name HE* and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 5. (16 viol avg 0.152)
assign ((resid 13 and name HB* and segid A) OR (resid 13 and name HB* and segid B) OR 
        (resid 20 and name HB and segid A) OR (resid 20 and name HB and segid B) OR 
        (resid 22 and name HB and segid A) OR (resid 22 and name HB and segid B))
       ((resid 17 and name HN and segid A) OR (resid 17 and name HN and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 4. (12 viol avg 0.305)
assign ((resid 17 and name HN and segid A) OR (resid 17 and name HN and segid B))
       ((resid 19 and name HN and segid A) OR (resid 19 and name HN and segid B) OR 
        (resid 20 and name HN and segid A) OR (resid 20 and name HN and segid B))
        2.900 1.100 1.100
! assign ((resid   4 and name HG*))
!        ((resid   5 and name HN) or (resid   7 and name HN))
!         2.900 1.800 4.000 ! Commented out at user request by SparkyNOEcal.tcl
assign ((resid 19 and name HN and segid A) OR (resid 19 and name HN and segid B) OR 
        (resid 20 and name HN and segid A) OR (resid 20 and name HN and segid B))
       ((resid 16 and name HG and segid A) OR (resid 16 and name HG and segid B))
        3.400 1.600 1.600 ! incr to 5.0 after round 3. (23 viol avg 0.447)
assign ((resid 20 and name HA and segid A) OR (resid 20 and name HA and segid B))
       ((resid 16 and name HB* and segid A) OR (resid 16 and name HB* and segid B) OR 
        (resid 24 and name HB* and segid A) OR (resid 24 and name HB* and segid B))
        2.900 1.100 1.100
assign ((resid 22 and name HA and segid A) OR (resid 22 and name HA and segid B))
       ((resid 26 and name HG* and segid A) OR (resid 26 and name HG* and segid B) OR 
        (resid 27 and name HG* and segid A) OR (resid 27 and name HG* and segid B))
        3.900 2.100 2.100
! assign ((resid   3 and name HA) or (resid   7 and name HA))
!        ((resid   5 and name HG) or (resid   9 and name HG))
!         2.900 1.800 4.000 ! Commented out at user request by SparkyNOEcal.tcl
assign ((resid 21 and name HA and segid A) OR (resid 21 and name HA and segid B))
       ((resid 20 and name HG** and segid A) OR (resid 20 and name HG** and segid B) OR 
        (resid 22 and name HG** and segid A) OR (resid 22 and name HG** and segid B))
        2.900 1.100 1.100 ! incr to 4.0 after round 4. (10 viol avg 0.136)
assign ((resid 19 and name HA and segid A) OR (resid 19 and name HA and segid B))
       ((resid 20 and name HG** and segid A) OR (resid 20 and name HG** and segid B) OR 
        (resid 22 and name HG** and segid A) OR (resid 22 and name HG** and segid B))
        2.900 1.100 1.100
assign ((resid  9 and name HB* and segid A) OR (resid  9 and name HB* and segid B))
       ((resid  3 and name HA and segid A) OR (resid  3 and name HA and segid B))
        3.900 2.100 2.100 ! incr to 6.0 after round 4. (13 viol avg 0.256)
assign ((resid  3 and name HA and segid A) OR (resid  3 and name HA and segid B))
       ((resid  9 and name HB* and segid A) OR (resid  9 and name HB* and segid B))
        3.900 2.100 2.100 ! incr to 6.0 after round 4. (13 viol avg 0.256)
assign ((resid  9 and name HG and segid A) OR (resid  9 and name HG and segid B))
       ((resid  3 and name HA and segid A) OR (resid  3 and name HA and segid B))
        3.900 2.100 2.100 ! still violating at 6.0 after round 9. (9 viol avg 0.137)

! Chemical shift based phi/psi restraints for polypeptide chains A & B.
assign (resid  2 and name C  and segid A) (resid  3 and name N  and segid A)
       (resid  3 and name CA and segid A) (resid  3 and name C  and segid A)  1.0  -60  30 2
assign (resid  3 and name N  and segid A) (resid  3 and name CA and segid A)
       (resid  3 and name C  and segid A) (resid  4 and name N  and segid A)  1.0  -40  40 2
assign (resid  3 and name C  and segid A) (resid  4 and name N  and segid A)
       (resid  4 and name CA and segid A) (resid  4 and name C  and segid A)  1.0  -60  30 2
assign (resid  4 and name N  and segid A) (resid  4 and name CA and segid A)
       (resid  4 and name C  and segid A) (resid  5 and name N  and segid A)  1.0  -40  40 2
assign (resid  4 and name C  and segid A) (resid  5 and name N  and segid A)
       (resid  5 and name CA and segid A) (resid  5 and name C  and segid A)  1.0  -60  30 2
assign (resid  5 and name N  and segid A) (resid  5 and name CA and segid A)
       (resid  5 and name C  and segid A) (resid  6 and name N  and segid A)  1.0  -40  40 2
assign (resid  5 and name C  and segid A) (resid  6 and name N  and segid A)
       (resid  6 and name CA and segid A) (resid  6 and name C  and segid A)  1.0  -60  30 2
assign (resid  6 and name N  and segid A) (resid  6 and name CA and segid A)
       (resid  6 and name C  and segid A) (resid  7 and name N  and segid A)  1.0  -40  40 2
assign (resid  6 and name C  and segid A) (resid  7 and name N  and segid A)
       (resid  7 and name CA and segid A) (resid  7 and name C  and segid A)  1.0  -60  30 2
assign (resid  7 and name N  and segid A) (resid  7 and name CA and segid A)
       (resid  7 and name C  and segid A) (resid  8 and name N  and segid A)  1.0  -40  40 2
assign (resid  7 and name C  and segid A) (resid  8 and name N  and segid A)
       (resid  8 and name CA and segid A) (resid  8 and name C  and segid A)  1.0  -60  30 2
assign (resid  8 and name N  and segid A) (resid  8 and name CA and segid A)
       (resid  8 and name C  and segid A) (resid  9 and name N  and segid A)  1.0  -40  40 2
assign (resid  8 and name C  and segid A) (resid  9 and name N  and segid A)
       (resid  9 and name CA and segid A) (resid  9 and name C  and segid A)  1.0  -60  30 2
assign (resid  9 and name N  and segid A) (resid  9 and name CA and segid A)
       (resid  9 and name C  and segid A) (resid 10 and name N  and segid A)  1.0  -40  40 2
assign (resid  9 and name C  and segid A) (resid 10 and name N  and segid A)
       (resid 10 and name CA and segid A) (resid 10 and name C  and segid A)  1.0  -60  30 2
assign (resid 10 and name N  and segid A) (resid 10 and name CA and segid A)
       (resid 10 and name C  and segid A) (resid 11 and name N  and segid A)  1.0  -40  40 2
assign (resid 10 and name C  and segid A) (resid 11 and name N  and segid A)
       (resid 11 and name CA and segid A) (resid 11 and name C  and segid A)  1.0  -60  30 2
assign (resid 11 and name N  and segid A) (resid 11 and name CA and segid A)
       (resid 11 and name C  and segid A) (resid 12 and name N  and segid A)  1.0  -40  40 2
assign (resid 12 and name C  and segid A) (resid 13 and name N  and segid A)
       (resid 13 and name CA and segid A) (resid 13 and name C  and segid A)  1.0  -60  30 2
assign (resid 13 and name N  and segid A) (resid 13 and name CA and segid A)
       (resid 13 and name C  and segid A) (resid 14 and name N  and segid A)  1.0  -40  40 2
assign (resid 13 and name C  and segid A) (resid 14 and name N  and segid A)
       (resid 14 and name CA and segid A) (resid 14 and name C  and segid A)  1.0  -60  30 2
assign (resid 14 and name N  and segid A) (resid 14 and name CA and segid A)
       (resid 14 and name C  and segid A) (resid 15 and name N  and segid A)  1.0  -40  40 2
assign (resid 14 and name C  and segid A) (resid 15 and name N  and segid A)
       (resid 15 and name CA and segid A) (resid 15 and name C  and segid A)  1.0  -60  30 2
assign (resid 15 and name N  and segid A) (resid 15 and name CA and segid A)
       (resid 15 and name C  and segid A) (resid 16 and name N  and segid A)  1.0  -40  40 2
assign (resid 15 and name C  and segid A) (resid 16 and name N  and segid A)
       (resid 16 and name CA and segid A) (resid 16 and name C  and segid A)  1.0  -60  30 2
assign (resid 16 and name N  and segid A) (resid 16 and name CA and segid A)
       (resid 16 and name C  and segid A) (resid 17 and name N  and segid A)  1.0  -40  40 2
assign (resid 16 and name C  and segid A) (resid 17 and name N  and segid A)
       (resid 17 and name CA and segid A) (resid 17 and name C  and segid A)  1.0  -60  30 2
assign (resid 17 and name N  and segid A) (resid 17 and name CA and segid A)
       (resid 17 and name C  and segid A) (resid 18 and name N  and segid A)  1.0  -40  40 2
assign (resid 17 and name C  and segid A) (resid 18 and name N  and segid A)
       (resid 18 and name CA and segid A) (resid 18 and name C  and segid A)  1.0  -60  30 2
assign (resid 18 and name N  and segid A) (resid 18 and name CA and segid A)
       (resid 18 and name C  and segid A) (resid 19 and name N  and segid A)  1.0  -40  40 2
assign (resid 18 and name C  and segid A) (resid 19 and name N  and segid A)
       (resid 19 and name CA and segid A) (resid 19 and name C  and segid A)  1.0  -60  30 2
assign (resid 19 and name N  and segid A) (resid 19 and name CA and segid A)
       (resid 19 and name C  and segid A) (resid 20 and name N  and segid A)  1.0  -40  40 2
assign (resid 19 and name C  and segid A) (resid 20 and name N  and segid A)
       (resid 20 and name CA and segid A) (resid 20 and name C  and segid A)  1.0  -60  30 2
assign (resid 20 and name N  and segid A) (resid 20 and name CA and segid A)
       (resid 20 and name C  and segid A) (resid 21 and name N  and segid A)  1.0  -40  40 2
assign (resid 20 and name C  and segid A) (resid 21 and name N  and segid A)
       (resid 21 and name CA and segid A) (resid 21 and name C  and segid A)  1.0  -60  30 2
assign (resid 21 and name N  and segid A) (resid 21 and name CA and segid A)
       (resid 21 and name C  and segid A) (resid 22 and name N  and segid A)  1.0  -40  40 2
assign (resid 22 and name C  and segid A) (resid 23 and name N  and segid A)
       (resid 23 and name CA and segid A) (resid 23 and name C  and segid A)  1.0  -60  30 2
assign (resid 23 and name N  and segid A) (resid 23 and name CA and segid A)
       (resid 23 and name C  and segid A) (resid 24 and name N  and segid A)  1.0  -40  40 2
assign (resid 23 and name C  and segid A) (resid 24 and name N  and segid A)
       (resid 24 and name CA and segid A) (resid 24 and name C  and segid A)  1.0  -60  30 2
assign (resid 24 and name N  and segid A) (resid 24 and name CA and segid A)
       (resid 24 and name C  and segid A) (resid 25 and name N  and segid A)  1.0  -40  40 2
assign (resid 24 and name C  and segid A) (resid 25 and name N  and segid A)
       (resid 25 and name CA and segid A) (resid 25 and name C  and segid A)  1.0  -60  30 2
assign (resid 25 and name N  and segid A) (resid 25 and name CA and segid A)
       (resid 25 and name C  and segid A) (resid 26 and name N  and segid A)  1.0  -40  40 2
assign (resid 25 and name C  and segid A) (resid 26 and name N  and segid A)
       (resid 26 and name CA and segid A) (resid 26 and name C  and segid A)  1.0  -60  30 2
assign (resid 26 and name N  and segid A) (resid 26 and name CA and segid A)
       (resid 26 and name C  and segid A) (resid 27 and name N  and segid A)  1.0  -40  40 2
assign (resid  2 and name C  and segid B) (resid  3 and name N  and segid B)
       (resid  3 and name CA and segid B) (resid  3 and name C  and segid B)  1.0  -60  30 2
assign (resid  3 and name N  and segid B) (resid  3 and name CA and segid B)
       (resid  3 and name C  and segid B) (resid  4 and name N  and segid B)  1.0  -40  40 2
assign (resid  3 and name C  and segid B) (resid  4 and name N  and segid B)
       (resid  4 and name CA and segid B) (resid  4 and name C  and segid B)  1.0  -60  30 2
assign (resid  4 and name N  and segid B) (resid  4 and name CA and segid B)
       (resid  4 and name C  and segid B) (resid  5 and name N  and segid B)  1.0  -40  40 2
assign (resid  4 and name C  and segid B) (resid  5 and name N  and segid B)
       (resid  5 and name CA and segid B) (resid  5 and name C  and segid B)  1.0  -60  30 2
assign (resid  5 and name N  and segid B) (resid  5 and name CA and segid B)
       (resid  5 and name C  and segid B) (resid  6 and name N  and segid B)  1.0  -40  40 2
assign (resid  5 and name C  and segid B) (resid  6 and name N  and segid B)
       (resid  6 and name CA and segid B) (resid  6 and name C  and segid B)  1.0  -60  30 2
assign (resid  6 and name N  and segid B) (resid  6 and name CA and segid B)
       (resid  6 and name C  and segid B) (resid  7 and name N  and segid B)  1.0  -40  40 2
assign (resid  6 and name C  and segid B) (resid  7 and name N  and segid B)
       (resid  7 and name CA and segid B) (resid  7 and name C  and segid B)  1.0  -60  30 2
assign (resid  7 and name N  and segid B) (resid  7 and name CA and segid B)
       (resid  7 and name C  and segid B) (resid  8 and name N  and segid B)  1.0  -40  40 2
assign (resid  7 and name C  and segid B) (resid  8 and name N  and segid B)
       (resid  8 and name CA and segid B) (resid  8 and name C  and segid B)  1.0  -60  30 2
assign (resid  8 and name N  and segid B) (resid  8 and name CA and segid B)
       (resid  8 and name C  and segid B) (resid  9 and name N  and segid B)  1.0  -40  40 2
assign (resid  8 and name C  and segid B) (resid  9 and name N  and segid B)
       (resid  9 and name CA and segid B) (resid  9 and name C  and segid B)  1.0  -60  30 2
assign (resid  9 and name N  and segid B) (resid  9 and name CA and segid B)
       (resid  9 and name C  and segid B) (resid 10 and name N  and segid B)  1.0  -40  40 2
assign (resid  9 and name C  and segid B) (resid 10 and name N  and segid B)
       (resid 10 and name CA and segid B) (resid 10 and name C  and segid B)  1.0  -60  30 2
assign (resid 10 and name N  and segid B) (resid 10 and name CA and segid B)
       (resid 10 and name C  and segid B) (resid 11 and name N  and segid B)  1.0  -40  40 2
assign (resid 10 and name C  and segid B) (resid 11 and name N  and segid B)
       (resid 11 and name CA and segid B) (resid 11 and name C  and segid B)  1.0  -60  30 2
assign (resid 11 and name N  and segid B) (resid 11 and name CA and segid B)
       (resid 11 and name C  and segid B) (resid 12 and name N  and segid B)  1.0  -40  40 2
assign (resid 12 and name C  and segid B) (resid 13 and name N  and segid B)
       (resid 13 and name CA and segid B) (resid 13 and name C  and segid B)  1.0  -60  30 2
assign (resid 13 and name N  and segid B) (resid 13 and name CA and segid B)
       (resid 13 and name C  and segid B) (resid 14 and name N  and segid B)  1.0  -40  40 2
assign (resid 13 and name C  and segid B) (resid 14 and name N  and segid B)
       (resid 14 and name CA and segid B) (resid 14 and name C  and segid B)  1.0  -60  30 2
assign (resid 14 and name N  and segid B) (resid 14 and name CA and segid B)
       (resid 14 and name C  and segid B) (resid 15 and name N  and segid B)  1.0  -40  40 2
assign (resid 14 and name C  and segid B) (resid 15 and name N  and segid B)
       (resid 15 and name CA and segid B) (resid 15 and name C  and segid B)  1.0  -60  30 2
assign (resid 15 and name N  and segid B) (resid 15 and name CA and segid B)
       (resid 15 and name C  and segid B) (resid 16 and name N  and segid B)  1.0  -40  40 2
assign (resid 15 and name C  and segid B) (resid 16 and name N  and segid B)
       (resid 16 and name CA and segid B) (resid 16 and name C  and segid B)  1.0  -60  30 2
assign (resid 16 and name N  and segid B) (resid 16 and name CA and segid B)
       (resid 16 and name C  and segid B) (resid 17 and name N  and segid B)  1.0  -40  40 2
assign (resid 16 and name C  and segid B) (resid 17 and name N  and segid B)
       (resid 17 and name CA and segid B) (resid 17 and name C  and segid B)  1.0  -60  30 2
assign (resid 17 and name N  and segid B) (resid 17 and name CA and segid B)
       (resid 17 and name C  and segid B) (resid 18 and name N  and segid B)  1.0  -40  40 2
assign (resid 17 and name C  and segid B) (resid 18 and name N  and segid B)
       (resid 18 and name CA and segid B) (resid 18 and name C  and segid B)  1.0  -60  30 2
assign (resid 18 and name N  and segid B) (resid 18 and name CA and segid B)
       (resid 18 and name C  and segid B) (resid 19 and name N  and segid B)  1.0  -40  40 2
assign (resid 18 and name C  and segid B) (resid 19 and name N  and segid B)
       (resid 19 and name CA and segid B) (resid 19 and name C  and segid B)  1.0  -60  30 2
assign (resid 19 and name N  and segid B) (resid 19 and name CA and segid B)
       (resid 19 and name C  and segid B) (resid 20 and name N  and segid B)  1.0  -40  40 2
assign (resid 19 and name C  and segid B) (resid 20 and name N  and segid B)
       (resid 20 and name CA and segid B) (resid 20 and name C  and segid B)  1.0  -60  30 2
assign (resid 20 and name N  and segid B) (resid 20 and name CA and segid B)
       (resid 20 and name C  and segid B) (resid 21 and name N  and segid B)  1.0  -40  40 2
assign (resid 20 and name C  and segid B) (resid 21 and name N  and segid B)
       (resid 21 and name CA and segid B) (resid 21 and name C  and segid B)  1.0  -60  30 2
assign (resid 21 and name N  and segid B) (resid 21 and name CA and segid B)
       (resid 21 and name C  and segid B) (resid 22 and name N  and segid B)  1.0  -40  40 2
assign (resid 22 and name C  and segid B) (resid 23 and name N  and segid B)
       (resid 23 and name CA and segid B) (resid 23 and name C  and segid B)  1.0  -60  30 2
assign (resid 23 and name N  and segid B) (resid 23 and name CA and segid B)
       (resid 23 and name C  and segid B) (resid 24 and name N  and segid B)  1.0  -40  40 2
assign (resid 23 and name C  and segid B) (resid 24 and name N  and segid B)
       (resid 24 and name CA and segid B) (resid 24 and name C  and segid B)  1.0  -60  30 2
assign (resid 24 and name N  and segid B) (resid 24 and name CA and segid B)
       (resid 24 and name C  and segid B) (resid 25 and name N  and segid B)  1.0  -40  40 2
assign (resid 24 and name C  and segid B) (resid 25 and name N  and segid B)
       (resid 25 and name CA and segid B) (resid 25 and name C  and segid B)  1.0  -60  30 2
assign (resid 25 and name N  and segid B) (resid 25 and name CA and segid B)
       (resid 25 and name C  and segid B) (resid 26 and name N  and segid B)  1.0  -40  40 2
assign (resid 25 and name C  and segid B) (resid 26 and name N  and segid B)
       (resid 26 and name CA and segid B) (resid 26 and name C  and segid B)  1.0  -60  30 2
assign (resid 26 and name N  and segid B) (resid 26 and name CA and segid B)
       (resid 26 and name C  and segid B) (resid 27 and name N  and segid B)  1.0  -40  40 2

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    HIS 250          1H        HIS 250  47.961  -5.126  17.626
    2   2H    HIS 250          2H        HIS 250  47.881  -6.755  18.100
    3   3H    HIS 250          3H        HIS 250  47.428  -6.302  16.527
    4    HA   HIS 250           HA       HIS 250  50.025  -6.887  17.588
    5   1HB   HIS 250          1HB       HIS 250  48.470  -7.108  15.133
    6   2HB   HIS 250          2HB       HIS 250  50.120  -6.570  14.815
    7    HD2  HIS 250           HD2      HIS 250  52.070  -8.354  16.352
    8    HE1  HIS 250           HE1      HIS 250  49.536 -11.687  15.800
    9    HE2  HIS 250           HE2      HIS 250  51.882 -10.958  16.445
   10    H    ILE 251           H        ILE 251  51.961  -5.832  16.615
   11    HA   ILE 251           HA       ILE 251  51.613  -3.015  15.913
   12    HB   ILE 251           HB       ILE 251  52.985  -2.153  17.637
   13   1HG1  ILE 251          1HG1      ILE 251  54.746  -3.808  17.746
   14   2HG1  ILE 251          2HG1      ILE 251  54.034  -3.689  19.350
   15   1HG2  ILE 251          1HG2      ILE 251  51.779  -2.753  19.658
   16   2HG2  ILE 251          2HG2      ILE 251  51.261  -4.278  18.938
   17   3HG2  ILE 251          3HG2      ILE 251  50.652  -2.749  18.303
   18   1HD1  ILE 251          1HD1      ILE 251  53.647  -5.869  17.301
   19   2HD1  ILE 251          2HD1      ILE 251  52.516  -5.646  18.635
   20   3HD1  ILE 251          3HD1      ILE 251  54.207  -6.015  18.966
   21    H    ASN 252           H        ASN 252  52.730  -5.744  14.911
   22    HA   ASN 252           HA       ASN 252  55.512  -5.092  14.395
   23   1HB   ASN 252          1HB       ASN 252  53.712  -7.398  13.709
   24   2HB   ASN 252          2HB       ASN 252  55.273  -7.212  12.913
   25   1HD2  ASN 252          1HD2      ASN 252  53.738  -7.661  16.105
   26   2HD2  ASN 252          2HD2      ASN 252  55.141  -8.226  16.876
   27    H    GLU 253           H        GLU 253  52.438  -5.085  12.669
   28    HA   GLU 253           HA       GLU 253  53.751  -4.216  10.203
   29   1HB   GLU 253          1HB       GLU 253  51.155  -4.177   9.568
   30   2HB   GLU 253          2HB       GLU 253  52.099  -5.665   9.547
   31   1HG   GLU 253          1HG       GLU 253  50.750  -4.782  12.085
   32   2HG   GLU 253          2HG       GLU 253  49.820  -5.618  10.841
   33    H    LEU 254           H        LEU 254  52.687  -2.848  12.999
   34    HA   LEU 254           HA       LEU 254  51.108  -0.683  12.430
   35   1HB   LEU 254          1HB       LEU 254  53.003  -1.391  14.475
   36   2HB   LEU 254          2HB       LEU 254  53.165   0.321  14.085
   37    HG   LEU 254           HG       LEU 254  50.523  -1.045  14.675
   38   1HD1  LEU 254          1HD1      LEU 254  51.175   0.852  16.663
   39   2HD1  LEU 254          2HD1      LEU 254  52.621  -0.132  16.442
   40   3HD1  LEU 254          3HD1      LEU 254  51.085  -0.899  16.851
   41   1HD2  LEU 254          1HD2      LEU 254  50.612   1.803  15.095
   42   2HD2  LEU 254          2HD2      LEU 254  49.599   0.889  13.978
   43   3HD2  LEU 254          3HD2      LEU 254  51.196   1.440  13.470
   44    H    LEU 255           H        LEU 255  54.118  -1.374  11.053
   45    HA   LEU 255           HA       LEU 255  54.588   1.428  10.282
   46   1HB   LEU 255          1HB       LEU 255  56.425  -0.890   9.710
   47   2HB   LEU 255          2HB       LEU 255  56.816   0.827   9.793
   48    HG   LEU 255           HG       LEU 255  55.783   0.400  12.290
   49   1HD1  LEU 255          1HD1      LEU 255  57.369  -2.078  11.547
   50   2HD1  LEU 255          2HD1      LEU 255  55.627  -2.045  11.818
   51   3HD1  LEU 255          3HD1      LEU 255  56.733  -1.686  13.144
   52   1HD2  LEU 255          1HD2      LEU 255  58.627   0.152  11.271
   53   2HD2  LEU 255          2HD2      LEU 255  58.225   0.255  12.985
   54   3HD2  LEU 255          3HD2      LEU 255  57.836   1.595  11.906
   55    H    HIS 256           H        HIS 256  54.040  -1.812   8.991
   56    HA   HIS 256           HA       HIS 256  54.130  -0.891   6.239
   57   1HB   HIS 256          1HB       HIS 256  53.409  -3.582   7.422
   58   2HB   HIS 256          2HB       HIS 256  53.594  -3.243   5.700
   59    HD2  HIS 256           HD2      HIS 256  56.265  -1.240   7.381
   60    HE1  HIS 256           HE1      HIS 256  58.072  -4.988   6.660
   61    HE2  HIS 256           HE2      HIS 256  58.513  -2.571   7.302
   62    H    ILE 257           H        ILE 257  51.649  -3.026   7.587
   63    HA   ILE 257           HA       ILE 257  49.585  -2.295   5.971
   64    HB   ILE 257           HB       ILE 257  49.612  -4.067   7.834
   65   1HG1  ILE 257          1HG1      ILE 257  47.207  -2.308   7.273
   66   2HG1  ILE 257          2HG1      ILE 257  47.675  -3.781   6.422
   67   1HG2  ILE 257          1HG2      ILE 257  50.000  -2.105   9.547
   68   2HG2  ILE 257          2HG2      ILE 257  48.963  -3.457   9.996
   69   3HG2  ILE 257          3HG2      ILE 257  48.248  -1.938   9.459
   70   1HD1  ILE 257          1HD1      ILE 257  47.511  -4.863   8.821
   71   2HD1  ILE 257          2HD1      ILE 257  46.048  -4.603   7.871
   72   3HD1  ILE 257          3HD1      ILE 257  46.477  -3.473   9.155
   73    H    LEU 258           H        LEU 258  51.013  -0.410   8.486
   74    HA   LEU 258           HA       LEU 258  48.868   1.353   9.001
   75   1HB   LEU 258          1HB       LEU 258  50.524   1.523  10.599
   76   2HB   LEU 258          2HB       LEU 258  51.822   1.367   9.419
   77    HG   LEU 258           HG       LEU 258  51.504   3.656   8.681
   78   1HD1  LEU 258          1HD1      LEU 258  48.951   3.356  10.153
   79   2HD1  LEU 258          2HD1      LEU 258  49.331   4.378   8.767
   80   3HD1  LEU 258          3HD1      LEU 258  49.764   4.899  10.392
   81   1HD2  LEU 258          1HD2      LEU 258  51.517   3.367  11.693
   82   2HD2  LEU 258          2HD2      LEU 258  51.926   4.858  10.847
   83   3HD2  LEU 258          3HD2      LEU 258  52.919   3.419  10.623
   84    H    VAL 259           H        VAL 259  51.794   1.880   7.019
   85    HA   VAL 259           HA       VAL 259  50.598   4.157   5.700
   86    HB   VAL 259           HB       VAL 259  52.712   4.281   4.475
   87   1HG1  VAL 259          1HG1      VAL 259  52.419   4.974   6.965
   88   2HG1  VAL 259          2HG1      VAL 259  54.057   4.859   6.319
   89   3HG1  VAL 259          3HG1      VAL 259  53.409   3.557   7.317
   90   1HG2  VAL 259          1HG2      VAL 259  53.238   2.001   4.040
   91   2HG2  VAL 259          2HG2      VAL 259  53.139   1.571   5.747
   92   3HG2  VAL 259          3HG2      VAL 259  54.484   2.548   5.160
   93    H    PHE 260           H        PHE 260  50.996   0.758   5.030
   94    HA   PHE 260           HA       PHE 260  50.912   0.531   2.326
   95   1HB   PHE 260          1HB       PHE 260  50.680  -1.277   4.179
   96   2HB   PHE 260          2HB       PHE 260  48.945  -1.049   3.952
   97    HD1  PHE 260           HD1      PHE 260  47.829  -1.827   1.973
   98    HD2  PHE 260           HD2      PHE 260  52.111  -1.993   2.264
   99    HE1  PHE 260           HE1      PHE 260  47.912  -3.241  -0.063
  100    HE2  PHE 260           HE2      PHE 260  52.195  -3.406   0.229
  101    HZ   PHE 260           HZ       PHE 260  50.095  -4.031  -0.935
  102    H    GLY 261           H        GLY 261  48.536   2.039   4.304
  103   1HA   GLY 261          1HA       GLY 261  47.048   2.880   1.972
  104   2HA   GLY 261          2HA       GLY 261  46.145   1.811   3.041
  105    H    GLU 262           H        GLU 262  48.558   4.186   4.060
  106    HA   GLU 262           HA       GLU 262  47.253   5.228   6.208
  107   1HB   GLU 262          1HB       GLU 262  48.412   7.486   5.410
  108   2HB   GLU 262          2HB       GLU 262  49.361   6.123   6.003
  109   1HG   GLU 262          1HG       GLU 262  50.084   5.527   3.879
  110   2HG   GLU 262          2HG       GLU 262  48.681   6.238   3.086
  111    H    SER 263           H        SER 263  47.412   7.454   3.491
  112    HA   SER 263           HA       SER 263  44.659   8.277   4.044
  113   1HB   SER 263          1HB       SER 263  47.042   9.522   2.804
  114   2HB   SER 263          2HB       SER 263  45.486   9.978   2.115
  115    HG   SER 263           HG       SER 263  44.806  10.504   4.237
  116    H    LEU 264           H        LEU 264  46.499   6.505   1.729
  117    HA   LEU 264           HA       LEU 264  45.071   6.817  -0.622
  118   1HB   LEU 264          1HB       LEU 264  46.771   4.734   0.564
  119   2HB   LEU 264          2HB       LEU 264  45.604   4.116  -0.604
  120    HG   LEU 264           HG       LEU 264  47.804   4.796  -1.622
  121   1HD1  LEU 264          1HD1      LEU 264  46.574   5.082  -3.481
  122   2HD1  LEU 264          2HD1      LEU 264  46.199   6.733  -2.989
  123   3HD1  LEU 264          3HD1      LEU 264  45.153   5.406  -2.488
  124   1HD2  LEU 264          1HD2      LEU 264  48.668   6.885  -1.358
  125   2HD2  LEU 264          2HD2      LEU 264  47.606   6.961   0.049
  126   3HD2  LEU 264          3HD2      LEU 264  47.087   7.657  -1.486
  127    H    LEU 265           H        LEU 265  43.988   5.565   2.355
  128    HA   LEU 265           HA       LEU 265  41.818   4.009   1.172
  129   1HB   LEU 265          1HB       LEU 265  43.007   3.209   3.219
  130   2HB   LEU 265          2HB       LEU 265  42.394   4.615   4.083
  131    HG   LEU 265           HG       LEU 265  40.066   3.886   3.571
  132   1HD1  LEU 265          1HD1      LEU 265  40.046   2.555   1.686
  133   2HD1  LEU 265          2HD1      LEU 265  40.086   1.293   2.916
  134   3HD1  LEU 265          3HD1      LEU 265  41.571   1.769   2.093
  135   1HD2  LEU 265          1HD2      LEU 265  40.903   3.240   5.709
  136   2HD2  LEU 265          2HD2      LEU 265  41.920   1.979   5.010
  137   3HD2  LEU 265          3HD2      LEU 265  40.167   1.787   5.032
  138    H    ASN 266           H        ASN 266  42.332   7.005   2.977
  139    HA   ASN 266           HA       ASN 266  39.594   7.661   3.326
  140   1HB   ASN 266          1HB       ASN 266  40.384   9.509   4.365
  141   2HB   ASN 266          2HB       ASN 266  41.947   8.704   4.228
  142   1HD2  ASN 266          1HD2      ASN 266  43.321   9.324   2.329
  143   2HD2  ASN 266          2HD2      ASN 266  43.113  10.850   1.617
  144    H    ASP 267           H        ASP 267  41.647   7.714   0.593
  145    HA   ASP 267           HA       ASP 267  40.071   9.718  -0.831
  146   1HB   ASP 267          1HB       ASP 267  42.681   8.431  -1.174
  147   2HB   ASP 267          2HB       ASP 267  41.770   8.581  -2.676
  148    H    ALA 268           H        ALA 268  40.354   6.274  -0.511
  149    HA   ALA 268           HA       ALA 268  38.736   5.776  -2.901
  150   1HB   ALA 268          1HB       ALA 268  39.296   3.510  -2.657
  151   2HB   ALA 268          2HB       ALA 268  39.632   3.682  -0.934
  152   3HB   ALA 268          3HB       ALA 268  40.753   4.346  -2.122
  153    H    VAL 269           H        VAL 269  38.315   6.407   0.385
  154    HA   VAL 269           HA       VAL 269  35.895   4.828   0.704
  155    HB   VAL 269           HB       VAL 269  37.686   5.520   2.513
  156   1HG1  VAL 269          1HG1      VAL 269  35.694   7.754   2.892
  157   2HG1  VAL 269          2HG1      VAL 269  37.165   8.000   1.951
  158   3HG1  VAL 269          3HG1      VAL 269  37.272   7.544   3.650
  159   1HG2  VAL 269          1HG2      VAL 269  35.733   4.133   2.979
  160   2HG2  VAL 269          2HG2      VAL 269  34.683   5.548   2.953
  161   3HG2  VAL 269          3HG2      VAL 269  35.877   5.359   4.237
  162    H    THR 270           H        THR 270  36.800   7.961  -0.376
  163    HA   THR 270           HA       THR 270  34.136   9.092   0.051
  164    HB   THR 270           HB       THR 270  36.354  10.437  -1.467
  165    HG1  THR 270           HG1      THR 270  36.207  10.917   1.229
  166   1HG2  THR 270          1HG2      THR 270  34.175  11.412   0.401
  167   2HG2  THR 270          2HG2      THR 270  34.138  11.505  -1.360
  168   3HG2  THR 270          3HG2      THR 270  35.329  12.438  -0.453
  169    H    VAL 271           H        VAL 271  36.348   8.695  -2.730
  170    HA   VAL 271           HA       VAL 271  34.668   9.320  -4.793
  171    HB   VAL 271           HB       VAL 271  36.677   7.058  -4.690
  172   1HG1  VAL 271          1HG1      VAL 271  35.221   8.393  -6.982
  173   2HG1  VAL 271          2HG1      VAL 271  35.284   6.673  -6.596
  174   3HG1  VAL 271          3HG1      VAL 271  36.721   7.494  -7.206
  175   1HG2  VAL 271          1HG2      VAL 271  37.142   9.711  -4.336
  176   2HG2  VAL 271          2HG2      VAL 271  37.202   9.619  -6.097
  177   3HG2  VAL 271          3HG2      VAL 271  38.288   8.626  -5.125
  178    H    VAL 272           H        VAL 272  34.553   6.491  -2.759
  179    HA   VAL 272           HA       VAL 272  32.606   5.163  -4.489
  180    HB   VAL 272           HB       VAL 272  34.485   3.981  -3.180
  181   1HG1  VAL 272          1HG1      VAL 272  34.184   3.585  -0.884
  182   2HG1  VAL 272          2HG1      VAL 272  32.480   4.036  -0.934
  183   3HG1  VAL 272          3HG1      VAL 272  33.724   5.281  -1.046
  184   1HG2  VAL 272          1HG2      VAL 272  32.554   2.230  -2.404
  185   2HG2  VAL 272          2HG2      VAL 272  33.078   2.416  -4.077
  186   3HG2  VAL 272          3HG2      VAL 272  31.630   3.247  -3.510
  187    H    LEU 273           H        LEU 273  32.733   7.104  -1.606
  188    HA   LEU 273           HA       LEU 273  29.970   6.463  -0.889
  189   1HB   LEU 273          1HB       LEU 273  31.801   6.753   0.835
  190   2HB   LEU 273          2HB       LEU 273  31.807   8.469   0.428
  191    HG   LEU 273           HG       LEU 273  29.133   8.017   0.783
  192   1HD1  LEU 273          1HD1      LEU 273  28.861   6.663   2.797
  193   2HD1  LEU 273          2HD1      LEU 273  30.596   6.357   2.856
  194   3HD1  LEU 273          3HD1      LEU 273  29.628   5.690   1.542
  195   1HD2  LEU 273          1HD2      LEU 273  31.257   8.820   2.791
  196   2HD2  LEU 273          2HD2      LEU 273  29.527   9.025   3.072
  197   3HD2  LEU 273          3HD2      LEU 273  30.314   9.888   1.750
  198    H    TYR 274           H        TYR 274  31.871   9.031  -2.329
  199    HA   TYR 274           HA       TYR 274  29.595  10.863  -2.370
  200   1HB   TYR 274          1HB       TYR 274  32.510  11.052  -2.989
  201   2HB   TYR 274          2HB       TYR 274  31.416  12.192  -3.769
  202    HD1  TYR 274           HD1      TYR 274  31.936  10.667  -0.376
  203    HD2  TYR 274           HD2      TYR 274  31.014  14.196  -2.646
  204    HE1  TYR 274           HE1      TYR 274  31.833  11.987   1.720
  205    HE2  TYR 274           HE2      TYR 274  30.909  15.515  -0.550
  206    HH   TYR 274           HH       TYR 274  30.383  14.756   2.077
  207    H    LYS 275           H        LYS 275  31.926  10.285  -4.953
  208    HA   LYS 275           HA       LYS 275  30.027  10.617  -7.018
  209   1HB   LYS 275          1HB       LYS 275  32.600   9.100  -7.369
  210   2HB   LYS 275          2HB       LYS 275  31.791  10.186  -8.500
  211   1HG   LYS 275          1HG       LYS 275  32.200  11.872  -6.393
  212   2HG   LYS 275          2HG       LYS 275  33.608  10.821  -6.248
  213   1HD   LYS 275          1HD       LYS 275  34.347  12.508  -7.715
  214   2HD   LYS 275          2HD       LYS 275  33.882  11.203  -8.806
  215   1HE   LYS 275          1HE       LYS 275  31.502  12.510  -8.535
  216   2HE   LYS 275          2HE       LYS 275  32.637  13.854  -8.400
  217   1HZ   LYS 275          1HZ       LYS 275  31.885  13.229 -10.714
  218   2HZ   LYS 275          2HZ       LYS 275  32.837  11.833 -10.552
  219   3HZ   LYS 275          3HZ       LYS 275  33.558  13.369 -10.480
  220    H    LYS 276           H        LYS 276  30.923   7.879  -5.111
  221    HA   LYS 276           HA       LYS 276  30.421   5.624  -5.278
  222   1HB   LYS 276          1HB       LYS 276  27.820   6.767  -6.323
  223   2HB   LYS 276          2HB       LYS 276  28.046   5.206  -5.533
  224   1HG   LYS 276          1HG       LYS 276  29.169   7.230  -3.846
  225   2HG   LYS 276          2HG       LYS 276  27.543   7.735  -4.306
  226   1HD   LYS 276          1HD       LYS 276  28.232   4.993  -3.209
  227   2HD   LYS 276          2HD       LYS 276  27.588   6.319  -2.241
  228   1HE   LYS 276          1HE       LYS 276  25.498   5.817  -2.899
  229   2HE   LYS 276          2HE       LYS 276  25.963   6.022  -4.587
  230   1HZ   LYS 276          1HZ       LYS 276  26.322   3.815  -4.858
  231   2HZ   LYS 276          2HZ       LYS 276  25.144   3.720  -3.638
  232   3HZ   LYS 276          3HZ       LYS 276  26.790   3.562  -3.248
  233   1HN   NH2 277          1HN       NH2 277  31.391   7.059  -7.900
  234   2HN   NH2 277          2HN       NH2 277  30.988   5.924  -9.111
  Start of MODEL    2
    1   1H    HIS 250          1H        HIS 250  51.526  15.608  -6.578
    2   2H    HIS 250          2H        HIS 250  50.358  16.651  -7.236
    3   3H    HIS 250          3H        HIS 250  49.898  15.136  -6.621
    4    HA   HIS 250           HA       HIS 250  49.341  16.977  -5.111
    5   1HB   HIS 250          1HB       HIS 250  50.092  14.534  -4.461
    6   2HB   HIS 250          2HB       HIS 250  51.514  15.356  -3.820
    7    HD2  HIS 250           HD2      HIS 250  47.710  16.520  -3.499
    8    HE1  HIS 250           HE1      HIS 250  49.422  16.261   0.351
    9    HE2  HIS 250           HE2      HIS 250  47.330  16.891  -0.943
   10    H    ILE 251           H        ILE 251  51.473  17.202  -2.986
   11    HA   ILE 251           HA       ILE 251  52.835  19.541  -4.149
   12    HB   ILE 251           HB       ILE 251  53.060  19.152  -1.256
   13   1HG1  ILE 251          1HG1      ILE 251  50.846  18.149  -1.516
   14   2HG1  ILE 251          2HG1      ILE 251  50.678  19.758  -0.820
   15   1HG2  ILE 251          1HG2      ILE 251  51.963  21.386  -2.988
   16   2HG2  ILE 251          2HG2      ILE 251  53.637  21.232  -2.457
   17   3HG2  ILE 251          3HG2      ILE 251  52.359  21.511  -1.275
   18   1HD1  ILE 251          1HD1      ILE 251  49.620  18.729  -3.318
   19   2HD1  ILE 251          2HD1      ILE 251  50.605  20.162  -3.604
   20   3HD1  ILE 251          3HD1      ILE 251  49.242  20.238  -2.489
   21    H    ASN 252           H        ASN 252  55.050  19.984  -3.249
   22    HA   ASN 252           HA       ASN 252  56.660  17.571  -3.528
   23   1HB   ASN 252          1HB       ASN 252  57.417  20.493  -3.309
   24   2HB   ASN 252          2HB       ASN 252  58.566  19.178  -3.551
   25   1HD2  ASN 252          1HD2      ASN 252  55.483  18.718  -5.070
   26   2HD2  ASN 252          2HD2      ASN 252  55.969  19.106  -6.649
   27    H    GLU 253           H        GLU 253  55.550  19.707  -1.047
   28    HA   GLU 253           HA       GLU 253  57.563  18.810   0.873
   29   1HB   GLU 253          1HB       GLU 253  55.167  20.519   1.509
   30   2HB   GLU 253          2HB       GLU 253  56.734  20.470   2.319
   31   1HG   GLU 253          1HG       GLU 253  57.618  21.186  -0.079
   32   2HG   GLU 253          2HG       GLU 253  55.972  21.792  -0.256
   33    H    LEU 254           H        LEU 254  54.039  18.641   0.409
   34    HA   LEU 254           HA       LEU 254  53.708  16.833   2.647
   35   1HB   LEU 254          1HB       LEU 254  51.619  17.340   0.548
   36   2HB   LEU 254          2HB       LEU 254  51.409  17.022   2.271
   37    HG   LEU 254           HG       LEU 254  52.527  19.545   1.018
   38   1HD1  LEU 254          1HD1      LEU 254  50.233  19.491   2.922
   39   2HD1  LEU 254          2HD1      LEU 254  49.936  18.901   1.287
   40   3HD1  LEU 254          3HD1      LEU 254  50.519  20.547   1.539
   41   1HD2  LEU 254          1HD2      LEU 254  52.403  20.257   3.532
   42   2HD2  LEU 254          2HD2      LEU 254  53.789  19.315   2.986
   43   3HD2  LEU 254          3HD2      LEU 254  52.472  18.524   3.851
   44    H    LEU 255           H        LEU 255  54.992  16.406  -0.316
   45    HA   LEU 255           HA       LEU 255  53.758  14.254  -1.529
   46   1HB   LEU 255          1HB       LEU 255  55.946  15.575  -2.132
   47   2HB   LEU 255          2HB       LEU 255  56.741  14.266  -1.257
   48    HG   LEU 255           HG       LEU 255  55.114  12.775  -2.761
   49   1HD1  LEU 255          1HD1      LEU 255  54.039  14.725  -3.829
   50   2HD1  LEU 255          2HD1      LEU 255  54.908  13.754  -5.016
   51   3HD1  LEU 255          3HD1      LEU 255  55.608  15.262  -4.428
   52   1HD2  LEU 255          1HD2      LEU 255  57.806  13.975  -3.329
   53   2HD2  LEU 255          2HD2      LEU 255  57.056  12.944  -4.547
   54   3HD2  LEU 255          3HD2      LEU 255  57.390  12.307  -2.938
   55    H    HIS 256           H        HIS 256  54.983  14.377   1.603
   56    HA   HIS 256           HA       HIS 256  56.175  12.024   2.215
   57   1HB   HIS 256          1HB       HIS 256  53.950  13.442   3.680
   58   2HB   HIS 256          2HB       HIS 256  54.810  12.060   4.359
   59    HD2  HIS 256           HD2      HIS 256  56.962  14.572   2.301
   60    HE1  HIS 256           HE1      HIS 256  57.793  15.243   6.386
   61    HE2  HIS 256           HE2      HIS 256  58.497  15.810   4.013
   62    H    ILE 257           H        ILE 257  52.723  12.459   1.528
   63    HA   ILE 257           HA       ILE 257  51.624  10.070   2.200
   64    HB   ILE 257           HB       ILE 257  51.202  11.888  -0.136
   65   1HG1  ILE 257          1HG1      ILE 257  48.988  12.098   0.919
   66   2HG1  ILE 257          2HG1      ILE 257  49.413  10.841   2.081
   67   1HG2  ILE 257          1HG2      ILE 257  50.083   9.100   0.176
   68   2HG2  ILE 257          2HG2      ILE 257  50.777   9.847  -1.263
   69   3HG2  ILE 257          3HG2      ILE 257  49.193  10.357  -0.682
   70   1HD1  ILE 257          1HD1      ILE 257  49.690  13.192   2.956
   71   2HD1  ILE 257          2HD1      ILE 257  50.968  13.419   1.763
   72   3HD1  ILE 257          3HD1      ILE 257  51.155  12.213   3.036
   73    H    LEU 258           H        LEU 258  53.381  10.679  -0.848
   74    HA   LEU 258           HA       LEU 258  53.238   8.281  -2.104
   75   1HB   LEU 258          1HB       LEU 258  54.956  10.499  -2.223
   76   2HB   LEU 258          2HB       LEU 258  56.011   9.095  -2.073
   77    HG   LEU 258           HG       LEU 258  53.777   9.413  -4.102
   78   1HD1  LEU 258          1HD1      LEU 258  55.502   9.709  -5.736
   79   2HD1  LEU 258          2HD1      LEU 258  56.764   9.290  -4.576
   80   3HD1  LEU 258          3HD1      LEU 258  55.886  10.811  -4.414
   81   1HD2  LEU 258          1HD2      LEU 258  53.876   7.137  -4.053
   82   2HD2  LEU 258          2HD2      LEU 258  55.413   7.129  -3.189
   83   3HD2  LEU 258          3HD2      LEU 258  55.386   7.352  -4.938
   84    H    VAL 259           H        VAL 259  55.101   8.992   0.797
   85    HA   VAL 259           HA       VAL 259  56.727   6.731   0.916
   86    HB   VAL 259           HB       VAL 259  55.387   8.147   3.233
   87   1HG1  VAL 259          1HG1      VAL 259  57.419   7.332   4.457
   88   2HG1  VAL 259          2HG1      VAL 259  57.849   6.387   3.032
   89   3HG1  VAL 259          3HG1      VAL 259  56.366   6.026   3.914
   90   1HG2  VAL 259          1HG2      VAL 259  58.179   8.773   2.693
   91   2HG2  VAL 259          2HG2      VAL 259  56.813   9.869   2.895
   92   3HG2  VAL 259          3HG2      VAL 259  57.156   9.169   1.313
   93    H    PHE 260           H        PHE 260  53.780   7.094   2.895
   94    HA   PHE 260           HA       PHE 260  53.501   4.211   3.046
   95   1HB   PHE 260          1HB       PHE 260  51.229   5.338   4.180
   96   2HB   PHE 260          2HB       PHE 260  52.693   4.862   5.041
   97    HD1  PHE 260           HD1      PHE 260  50.636   7.625   3.943
   98    HD2  PHE 260           HD2      PHE 260  54.563   6.558   5.318
   99    HE1  PHE 260           HE1      PHE 260  51.090  10.001   4.491
  100    HE2  PHE 260           HE2      PHE 260  55.017   8.934   5.867
  101    HZ   PHE 260           HZ       PHE 260  53.280  10.655   5.454
  102    H    GLY 261           H        GLY 261  50.954   6.616   2.469
  103   1HA   GLY 261          1HA       GLY 261  49.698   6.800   0.429
  104   2HA   GLY 261          2HA       GLY 261  50.145   5.140   0.047
  105    H    GLU 262           H        GLU 262  49.321   5.621   3.310
  106    HA   GLU 262           HA       GLU 262  47.127   3.847   3.228
  107   1HB   GLU 262          1HB       GLU 262  46.784   4.450   5.561
  108   2HB   GLU 262          2HB       GLU 262  48.511   4.278   5.248
  109   1HG   GLU 262          1HG       GLU 262  48.186   6.907   4.667
  110   2HG   GLU 262          2HG       GLU 262  46.941   6.708   5.899
  111    H    SER 263           H        SER 263  47.287   6.901   2.033
  112    HA   SER 263           HA       SER 263  44.902   8.120   2.931
  113   1HB   SER 263          1HB       SER 263  46.925   8.978   1.409
  114   2HB   SER 263          2HB       SER 263  45.797   8.554   0.124
  115    HG   SER 263           HG       SER 263  45.517  10.412   2.229
  116    H    LEU 264           H        LEU 264  45.206   5.232   1.434
  117    HA   LEU 264           HA       LEU 264  43.289   5.268  -0.628
  118   1HB   LEU 264          1HB       LEU 264  44.034   3.000   1.233
  119   2HB   LEU 264          2HB       LEU 264  43.175   2.835  -0.299
  120    HG   LEU 264           HG       LEU 264  45.654   4.384  -0.533
  121   1HD1  LEU 264          1HD1      LEU 264  47.078   2.290  -0.398
  122   2HD1  LEU 264          2HD1      LEU 264  45.721   1.506   0.410
  123   3HD1  LEU 264          3HD1      LEU 264  46.507   2.897   1.156
  124   1HD2  LEU 264          1HD2      LEU 264  44.313   3.534  -2.435
  125   2HD2  LEU 264          2HD2      LEU 264  44.608   1.881  -1.897
  126   3HD2  LEU 264          3HD2      LEU 264  45.949   2.876  -2.462
  127    H    LEU 265           H        LEU 265  42.984   4.818   2.864
  128    HA   LEU 265           HA       LEU 265  40.099   4.416   2.642
  129   1HB   LEU 265          1HB       LEU 265  40.323   4.342   5.207
  130   2HB   LEU 265          2HB       LEU 265  41.058   3.028   4.288
  131    HG   LEU 265           HG       LEU 265  42.811   5.367   4.689
  132   1HD1  LEU 265          1HD1      LEU 265  43.330   4.544   7.060
  133   2HD1  LEU 265          2HD1      LEU 265  41.774   3.715   7.001
  134   3HD1  LEU 265          3HD1      LEU 265  41.843   5.472   6.867
  135   1HD2  LEU 265          1HD2      LEU 265  44.458   3.630   5.040
  136   2HD2  LEU 265          2HD2      LEU 265  43.438   3.130   3.691
  137   3HD2  LEU 265          3HD2      LEU 265  43.200   2.420   5.288
  138    H    ASN 266           H        ASN 266  42.072   7.024   2.542
  139    HA   ASN 266           HA       ASN 266  40.518   8.763   4.295
  140   1HB   ASN 266          1HB       ASN 266  42.889   9.240   2.484
  141   2HB   ASN 266          2HB       ASN 266  42.078  10.530   3.372
  142   1HD2  ASN 266          1HD2      ASN 266  42.819   7.164   4.420
  143   2HD2  ASN 266          2HD2      ASN 266  43.750   7.634   5.761
  144    H    ASP 267           H        ASP 267  41.619   9.470   1.005
  145    HA   ASP 267           HA       ASP 267  39.028  10.686   0.425
  146   1HB   ASP 267          1HB       ASP 267  41.746  11.094  -0.426
  147   2HB   ASP 267          2HB       ASP 267  40.718  10.832  -1.833
  148    H    ALA 268           H        ALA 268  41.226   8.397  -1.220
  149    HA   ALA 268           HA       ALA 268  39.701   7.554  -3.300
  150   1HB   ALA 268          1HB       ALA 268  40.831   5.263  -1.879
  151   2HB   ALA 268          2HB       ALA 268  41.966   6.604  -2.033
  152   3HB   ALA 268          3HB       ALA 268  41.226   5.905  -3.473
  153    H    VAL 269           H        VAL 269  39.006   7.105   0.050
  154    HA   VAL 269           HA       VAL 269  37.241   4.880  -0.179
  155    HB   VAL 269           HB       VAL 269  38.353   5.960   1.935
  156   1HG1  VAL 269          1HG1      VAL 269  37.113   7.615   3.054
  157   2HG1  VAL 269          2HG1      VAL 269  35.669   7.319   2.087
  158   3HG1  VAL 269          3HG1      VAL 269  37.053   8.148   1.375
  159   1HG2  VAL 269          1HG2      VAL 269  35.686   4.643   1.605
  160   2HG2  VAL 269          2HG2      VAL 269  36.134   5.217   3.212
  161   3HG2  VAL 269          3HG2      VAL 269  37.146   4.033   2.384
  162    H    THR 270           H        THR 270  36.998   7.846  -1.540
  163    HA   THR 270           HA       THR 270  34.113   8.160  -1.119
  164    HB   THR 270           HB       THR 270  36.251   9.868  -2.367
  165    HG1  THR 270           HG1      THR 270  35.734  11.162  -0.737
  166   1HG2  THR 270          1HG2      THR 270  33.279   9.930  -2.816
  167   2HG2  THR 270          2HG2      THR 270  34.582  10.154  -3.983
  168   3HG2  THR 270          3HG2      THR 270  34.209  11.430  -2.824
  169    H    VAL 271           H        VAL 271  36.189   8.408  -4.006
  170    HA   VAL 271           HA       VAL 271  34.193   7.824  -5.864
  171    HB   VAL 271           HB       VAL 271  37.158   7.259  -6.089
  172   1HG1  VAL 271          1HG1      VAL 271  35.963   6.132  -7.855
  173   2HG1  VAL 271          2HG1      VAL 271  36.654   7.599  -8.545
  174   3HG1  VAL 271          3HG1      VAL 271  34.941   7.541  -8.135
  175   1HG2  VAL 271          1HG2      VAL 271  37.031   9.554  -5.642
  176   2HG2  VAL 271          2HG2      VAL 271  35.460   9.720  -6.426
  177   3HG2  VAL 271          3HG2      VAL 271  36.917   9.522  -7.401
  178    H    VAL 272           H        VAL 272  36.847   5.593  -5.044
  179    HA   VAL 272           HA       VAL 272  35.869   3.296  -6.146
  180    HB   VAL 272           HB       VAL 272  37.367   3.652  -3.545
  181   1HG1  VAL 272          1HG1      VAL 272  37.993   1.195  -4.028
  182   2HG1  VAL 272          2HG1      VAL 272  36.571   1.169  -5.069
  183   3HG1  VAL 272          3HG1      VAL 272  36.395   1.499  -3.346
  184   1HG2  VAL 272          1HG2      VAL 272  38.550   4.412  -5.552
  185   2HG2  VAL 272          2HG2      VAL 272  38.196   2.888  -6.364
  186   3HG2  VAL 272          3HG2      VAL 272  39.276   2.915  -4.968
  187    H    LEU 273           H        LEU 273  34.521   5.045  -3.523
  188    HA   LEU 273           HA       LEU 273  32.892   2.744  -2.673
  189   1HB   LEU 273          1HB       LEU 273  34.092   4.173  -0.974
  190   2HB   LEU 273          2HB       LEU 273  33.010   5.491  -1.422
  191    HG   LEU 273           HG       LEU 273  31.203   3.500  -1.021
  192   1HD1  LEU 273          1HD1      LEU 273  31.821   2.133   0.833
  193   2HD1  LEU 273          2HD1      LEU 273  33.288   3.068   1.126
  194   3HD1  LEU 273          3HD1      LEU 273  33.171   2.032  -0.297
  195   1HD2  LEU 273          1HD2      LEU 273  30.943   5.644  -0.003
  196   2HD2  LEU 273          2HD2      LEU 273  32.430   5.462   0.928
  197   3HD2  LEU 273          3HD2      LEU 273  31.010   4.497   1.334
  198    H    TYR 274           H        TYR 274  32.157   6.218  -2.897
  199    HA   TYR 274           HA       TYR 274  29.448   6.002  -3.351
  200   1HB   TYR 274          1HB       TYR 274  31.481   8.067  -4.124
  201   2HB   TYR 274          2HB       TYR 274  29.809   8.235  -4.660
  202    HD1  TYR 274           HD1      TYR 274  31.790   7.473  -1.567
  203    HD2  TYR 274           HD2      TYR 274  28.267   9.274  -3.240
  204    HE1  TYR 274           HE1      TYR 274  31.158   8.321   0.675
  205    HE2  TYR 274           HE2      TYR 274  27.635  10.121  -0.997
  206    HH   TYR 274           HH       TYR 274  28.297  10.387   1.120
  207    H    LYS 275           H        LYS 275  31.395   7.179  -6.045
  208    HA   LYS 275           HA       LYS 275  29.726   6.492  -8.091
  209   1HB   LYS 275          1HB       LYS 275  32.736   6.253  -8.261
  210   2HB   LYS 275          2HB       LYS 275  31.615   6.621  -9.574
  211   1HG   LYS 275          1HG       LYS 275  31.040   8.515  -7.584
  212   2HG   LYS 275          2HG       LYS 275  32.800   8.419  -7.624
  213   1HD   LYS 275          1HD       LYS 275  32.132  10.079  -9.243
  214   2HD   LYS 275          2HD       LYS 275  32.674   8.657 -10.134
  215   1HE   LYS 275          1HE       LYS 275  29.927   8.250  -9.631
  216   2HE   LYS 275          2HE       LYS 275  30.078   9.926 -10.156
  217   1HZ   LYS 275          1HZ       LYS 275  30.578   9.296 -12.215
  218   2HZ   LYS 275          2HZ       LYS 275  30.049   7.741 -11.777
  219   3HZ   LYS 275          3HZ       LYS 275  31.699   8.136 -11.691
  220    H    LYS 276           H        LYS 276  32.174   4.405  -6.588
  221    HA   LYS 276           HA       LYS 276  31.103   2.124  -8.137
  222   1HB   LYS 276          1HB       LYS 276  33.490   2.470  -8.465
  223   2HB   LYS 276          2HB       LYS 276  33.755   2.467  -6.722
  224   1HG   LYS 276          1HG       LYS 276  33.682   0.203  -6.601
  225   2HG   LYS 276          2HG       LYS 276  32.289   0.109  -7.680
  226   1HD   LYS 276          1HD       LYS 276  34.293  -0.958  -8.680
  227   2HD   LYS 276          2HD       LYS 276  33.751   0.427  -9.628
  228   1HE   LYS 276          1HE       LYS 276  35.675   1.096  -7.495
  229   2HE   LYS 276          2HE       LYS 276  36.327   0.057  -8.763
  230   1HZ   LYS 276          1HZ       LYS 276  36.429   1.791 -10.110
  231   2HZ   LYS 276          2HZ       LYS 276  35.858   2.802  -8.869
  232   3HZ   LYS 276          3HZ       LYS 276  34.764   2.069  -9.942
  233   1HN   NH2 277          1HN       NH2 277  32.895   1.985  -5.060
  234   2HN   NH2 277          2HN       NH2 277  31.636   1.241  -4.180
  Start of MODEL    3
    1   1H    HIS 250          1H        HIS 250  53.229  -4.648  -5.799
    2   2H    HIS 250          2H        HIS 250  52.894  -4.777  -7.460
    3   3H    HIS 250          3H        HIS 250  52.706  -3.287  -6.666
    4    HA   HIS 250           HA       HIS 250  55.225  -4.710  -7.293
    5   1HB   HIS 250          1HB       HIS 250  53.731  -2.736  -8.620
    6   2HB   HIS 250          2HB       HIS 250  55.065  -1.869  -7.859
    7    HD2  HIS 250           HD2      HIS 250  57.603  -3.695  -8.328
    8    HE1  HIS 250           HE1      HIS 250  56.311  -4.242 -12.310
    9    HE2  HIS 250           HE2      HIS 250  58.290  -4.448 -10.732
   10    H    ILE 251           H        ILE 251  57.159  -3.491  -6.571
   11    HA   ILE 251           HA       ILE 251  56.722  -2.310  -3.893
   12    HB   ILE 251           HB       ILE 251  59.262  -2.993  -3.713
   13   1HG1  ILE 251          1HG1      ILE 251  58.940  -3.796  -6.248
   14   2HG1  ILE 251          2HG1      ILE 251  60.026  -4.633  -5.141
   15   1HG2  ILE 251          1HG2      ILE 251  57.691  -3.904  -2.195
   16   2HG2  ILE 251          2HG2      ILE 251  58.441  -5.309  -2.949
   17   3HG2  ILE 251          3HG2      ILE 251  56.839  -4.779  -3.466
   18   1HD1  ILE 251          1HD1      ILE 251  57.126  -5.442  -5.419
   19   2HD1  ILE 251          2HD1      ILE 251  58.464  -6.375  -4.748
   20   3HD1  ILE 251          3HD1      ILE 251  58.374  -6.085  -6.484
   21    H    ASN 252           H        ASN 252  57.012  -1.203  -6.804
   22    HA   ASN 252           HA       ASN 252  59.358   0.494  -6.551
   23   1HB   ASN 252          1HB       ASN 252  57.216   0.136  -8.634
   24   2HB   ASN 252          2HB       ASN 252  58.338   1.495  -8.705
   25   1HD2  ASN 252          1HD2      ASN 252  59.622  -1.390  -7.267
   26   2HD2  ASN 252          2HD2      ASN 252  60.538  -1.896  -8.602
   27    H    GLU 253           H        GLU 253  55.924   0.669  -5.988
   28    HA   GLU 253           HA       GLU 253  55.691   3.506  -5.963
   29   1HB   GLU 253          1HB       GLU 253  53.583   3.048  -4.685
   30   2HB   GLU 253          2HB       GLU 253  53.701   2.183  -6.217
   31   1HG   GLU 253          1HG       GLU 253  54.936   0.575  -4.200
   32   2HG   GLU 253          2HG       GLU 253  53.361   1.087  -3.600
   33    H    LEU 254           H        LEU 254  57.556   1.636  -4.059
   34    HA   LEU 254           HA       LEU 254  57.053   2.305  -1.417
   35   1HB   LEU 254          1HB       LEU 254  59.441   1.562  -2.991
   36   2HB   LEU 254          2HB       LEU 254  59.774   2.423  -1.489
   37    HG   LEU 254           HG       LEU 254  57.846   0.103  -1.549
   38   1HD1  LEU 254          1HD1      LEU 254  60.795   0.070  -1.789
   39   2HD1  LEU 254          2HD1      LEU 254  59.617  -1.175  -2.204
   40   3HD1  LEU 254          3HD1      LEU 254  60.135  -0.974  -0.531
   41   1HD2  LEU 254          1HD2      LEU 254  57.904   0.290   0.724
   42   2HD2  LEU 254          2HD2      LEU 254  58.485   1.923   0.397
   43   3HD2  LEU 254          3HD2      LEU 254  59.633   0.631   0.747
   44    H    LEU 255           H        LEU 255  57.645   4.388  -3.971
   45    HA   LEU 255           HA       LEU 255  58.674   6.531  -2.234
   46   1HB   LEU 255          1HB       LEU 255  59.835   5.981  -4.426
   47   2HB   LEU 255          2HB       LEU 255  58.398   6.599  -5.241
   48    HG   LEU 255           HG       LEU 255  58.871   8.613  -3.471
   49   1HD1  LEU 255          1HD1      LEU 255  61.008   7.322  -2.838
   50   2HD1  LEU 255          2HD1      LEU 255  61.198   9.029  -3.238
   51   3HD1  LEU 255          3HD1      LEU 255  61.618   7.792  -4.423
   52   1HD2  LEU 255          1HD2      LEU 255  58.480   9.104  -5.755
   53   2HD2  LEU 255          2HD2      LEU 255  59.855   8.136  -6.285
   54   3HD2  LEU 255          3HD2      LEU 255  60.123   9.678  -5.472
   55    H    HIS 256           H        HIS 256  56.103   5.758  -4.551
   56    HA   HIS 256           HA       HIS 256  54.723   8.260  -4.084
   57   1HB   HIS 256          1HB       HIS 256  54.222   5.821  -5.755
   58   2HB   HIS 256          2HB       HIS 256  52.908   6.959  -5.451
   59    HD2  HIS 256           HD2      HIS 256  56.709   7.606  -6.516
   60    HE1  HIS 256           HE1      HIS 256  54.150   9.942  -8.928
   61    HE2  HIS 256           HE2      HIS 256  56.575   9.363  -8.443
   62    H    ILE 257           H        ILE 257  53.172   5.088  -4.057
   63    HA   ILE 257           HA       ILE 257  51.156   5.611  -2.309
   64    HB   ILE 257           HB       ILE 257  52.749   3.046  -2.489
   65   1HG1  ILE 257          1HG1      ILE 257  51.482   4.174  -4.535
   66   2HG1  ILE 257          2HG1      ILE 257  51.377   2.437  -4.260
   67   1HG2  ILE 257          1HG2      ILE 257  50.127   3.740  -1.170
   68   2HG2  ILE 257          2HG2      ILE 257  51.498   2.861  -0.497
   69   3HG2  ILE 257          3HG2      ILE 257  50.473   2.096  -1.711
   70   1HD1  ILE 257          1HD1      ILE 257  49.217   2.593  -3.323
   71   2HD1  ILE 257          2HD1      ILE 257  49.171   3.716  -4.680
   72   3HD1  ILE 257          3HD1      ILE 257  49.366   4.327  -3.039
   73    H    LEU 258           H        LEU 258  54.459   4.639  -1.443
   74    HA   LEU 258           HA       LEU 258  54.230   4.288   1.266
   75   1HB   LEU 258          1HB       LEU 258  56.343   3.998   0.088
   76   2HB   LEU 258          2HB       LEU 258  56.453   5.738  -0.183
   77    HG   LEU 258           HG       LEU 258  55.994   5.108   2.629
   78   1HD1  LEU 258          1HD1      LEU 258  58.208   4.137   3.071
   79   2HD1  LEU 258          2HD1      LEU 258  58.535   4.070   1.340
   80   3HD1  LEU 258          3HD1      LEU 258  57.262   3.068   2.036
   81   1HD2  LEU 258          1HD2      LEU 258  58.335   6.468   1.267
   82   2HD2  LEU 258          2HD2      LEU 258  57.781   6.699   2.925
   83   3HD2  LEU 258          3HD2      LEU 258  56.797   7.274   1.579
   84    H    VAL 259           H        VAL 259  54.099   7.286  -0.539
   85    HA   VAL 259           HA       VAL 259  54.461   9.126   1.547
   86    HB   VAL 259           HB       VAL 259  52.667   9.387  -0.878
   87   1HG1  VAL 259          1HG1      VAL 259  53.146  11.825  -0.555
   88   2HG1  VAL 259          2HG1      VAL 259  53.944  11.427   0.967
   89   3HG1  VAL 259          3HG1      VAL 259  52.218  11.124   0.770
   90   1HG2  VAL 259          1HG2      VAL 259  55.208  10.751  -1.019
   91   2HG2  VAL 259          2HG2      VAL 259  54.546   9.536  -2.113
   92   3HG2  VAL 259          3HG2      VAL 259  55.469   9.037  -0.695
   93    H    PHE 260           H        PHE 260  51.280   8.539   0.068
   94    HA   PHE 260           HA       PHE 260  49.938   9.247   2.519
   95   1HB   PHE 260          1HB       PHE 260  48.036   8.109   0.848
   96   2HB   PHE 260          2HB       PHE 260  48.438   9.823   0.944
   97    HD1  PHE 260           HD1      PHE 260  48.509   6.860  -1.104
   98    HD2  PHE 260           HD2      PHE 260  50.320  10.715  -0.545
   99    HE1  PHE 260           HE1      PHE 260  49.382   6.787  -3.424
  100    HE2  PHE 260           HE2      PHE 260  51.193  10.641  -2.864
  101    HZ   PHE 260           HZ       PHE 260  50.725   8.677  -4.304
  102    H    GLY 261           H        GLY 261  49.593   6.334   0.487
  103   1HA   GLY 261          1HA       GLY 261  49.300   4.119   1.035
  104   2HA   GLY 261          2HA       GLY 261  50.185   4.466   2.517
  105    H    GLU 262           H        GLU 262  48.864   5.703   4.204
  106    HA   GLU 262           HA       GLU 262  46.455   4.197   4.702
  107   1HB   GLU 262          1HB       GLU 262  46.396   5.778   6.756
  108   2HB   GLU 262          2HB       GLU 262  47.704   4.601   6.645
  109   1HG   GLU 262          1HG       GLU 262  49.288   6.213   6.063
  110   2HG   GLU 262          2HG       GLU 262  48.070   7.333   5.454
  111    H    SER 263           H        SER 263  47.140   6.996   2.991
  112    HA   SER 263           HA       SER 263  44.607   8.326   3.588
  113   1HB   SER 263          1HB       SER 263  47.102   9.243   2.784
  114   2HB   SER 263          2HB       SER 263  46.120   9.376   1.329
  115    HG   SER 263           HG       SER 263  44.758  10.720   2.359
  116    H    LEU 264           H        LEU 264  45.987   6.163   1.273
  117    HA   LEU 264           HA       LEU 264  44.344   6.668  -0.955
  118   1HB   LEU 264          1HB       LEU 264  46.325   4.794  -0.242
  119   2HB   LEU 264          2HB       LEU 264  44.899   3.853  -0.684
  120    HG   LEU 264           HG       LEU 264  46.130   6.060  -2.363
  121   1HD1  LEU 264          1HD1      LEU 264  47.086   4.396  -3.704
  122   2HD1  LEU 264          2HD1      LEU 264  45.992   3.149  -3.107
  123   3HD1  LEU 264          3HD1      LEU 264  47.307   3.730  -2.086
  124   1HD2  LEU 264          1HD2      LEU 264  44.130   6.081  -3.403
  125   2HD2  LEU 264          2HD2      LEU 264  43.536   4.781  -2.370
  126   3HD2  LEU 264          3HD2      LEU 264  44.401   4.399  -3.858
  127    H    LEU 265           H        LEU 265  43.891   4.558   1.862
  128    HA   LEU 265           HA       LEU 265  41.409   3.463   0.959
  129   1HB   LEU 265          1HB       LEU 265  41.195   2.623   3.260
  130   2HB   LEU 265          2HB       LEU 265  42.810   2.315   2.623
  131    HG   LEU 265           HG       LEU 265  43.083   4.824   3.743
  132   1HD1  LEU 265          1HD1      LEU 265  40.745   4.404   4.722
  133   2HD1  LEU 265          2HD1      LEU 265  42.008   4.851   5.869
  134   3HD1  LEU 265          3HD1      LEU 265  41.507   3.167   5.722
  135   1HD2  LEU 265          1HD2      LEU 265  43.544   2.120   5.046
  136   2HD2  LEU 265          2HD2      LEU 265  44.328   3.628   5.516
  137   3HD2  LEU 265          3HD2      LEU 265  44.651   2.923   3.932
  138    H    ASN 266           H        ASN 266  42.341   6.274   2.839
  139    HA   ASN 266           HA       ASN 266  39.594   6.885   3.580
  140   1HB   ASN 266          1HB       ASN 266  40.561   8.125   5.175
  141   2HB   ASN 266          2HB       ASN 266  42.124   7.553   4.597
  142   1HD2  ASN 266          1HD2      ASN 266  43.098   8.889   2.739
  143   2HD2  ASN 266          2HD2      ASN 266  42.791  10.557   2.728
  144    H    ASP 267           H        ASP 267  41.762   7.525   1.005
  145    HA   ASP 267           HA       ASP 267  40.364   9.940   0.138
  146   1HB   ASP 267          1HB       ASP 267  42.788   9.866  -0.127
  147   2HB   ASP 267          2HB       ASP 267  42.660   8.396  -1.091
  148    H    ALA 268           H        ALA 268  40.273   6.544  -0.356
  149    HA   ALA 268           HA       ALA 268  38.868   6.770  -2.916
  150   1HB   ALA 268          1HB       ALA 268  40.602   4.974  -2.461
  151   2HB   ALA 268          2HB       ALA 268  39.048   4.390  -3.052
  152   3HB   ALA 268          3HB       ALA 268  39.444   4.258  -1.339
  153    H    VAL 269           H        VAL 269  38.277   6.342   0.456
  154    HA   VAL 269           HA       VAL 269  35.734   5.106   0.339
  155    HB   VAL 269           HB       VAL 269  37.382   5.575   2.345
  156   1HG1  VAL 269          1HG1      VAL 269  36.908   7.490   3.637
  157   2HG1  VAL 269          2HG1      VAL 269  35.406   7.814   2.773
  158   3HG1  VAL 269          3HG1      VAL 269  36.957   8.109   1.987
  159   1HG2  VAL 269          1HG2      VAL 269  35.595   4.191   2.862
  160   2HG2  VAL 269          2HG2      VAL 269  34.398   5.338   2.260
  161   3HG2  VAL 269          3HG2      VAL 269  35.167   5.605   3.824
  162    H    THR 270           H        THR 270  36.702   8.081  -0.793
  163    HA   THR 270           HA       THR 270  34.185   9.455  -0.202
  164    HB   THR 270           HB       THR 270  35.216  11.414  -0.974
  165    HG1  THR 270           HG1      THR 270  36.006  10.955  -2.914
  166   1HG2  THR 270          1HG2      THR 270  37.384  11.479   0.129
  167   2HG2  THR 270          2HG2      THR 270  37.513   9.722   0.047
  168   3HG2  THR 270          3HG2      THR 270  36.290  10.470   1.075
  169    H    VAL 271           H        VAL 271  35.523   7.442  -2.578
  170    HA   VAL 271           HA       VAL 271  33.714   8.458  -4.670
  171    HB   VAL 271           HB       VAL 271  35.864   6.347  -4.931
  172   1HG1  VAL 271          1HG1      VAL 271  35.685   6.932  -7.328
  173   2HG1  VAL 271          2HG1      VAL 271  34.408   8.088  -6.947
  174   3HG1  VAL 271          3HG1      VAL 271  34.141   6.363  -6.693
  175   1HG2  VAL 271          1HG2      VAL 271  36.680   8.729  -6.181
  176   2HG2  VAL 271          2HG2      VAL 271  37.359   8.025  -4.713
  177   3HG2  VAL 271          3HG2      VAL 271  36.072   9.227  -4.601
  178    H    VAL 272           H        VAL 272  34.866   5.210  -3.753
  179    HA   VAL 272           HA       VAL 272  32.726   3.763  -4.726
  180    HB   VAL 272           HB       VAL 272  34.969   2.991  -3.615
  181   1HG1  VAL 272          1HG1      VAL 272  34.090   4.003  -1.378
  182   2HG1  VAL 272          2HG1      VAL 272  34.886   2.429  -1.333
  183   3HG1  VAL 272          3HG1      VAL 272  33.126   2.530  -1.276
  184   1HG2  VAL 272          1HG2      VAL 272  32.347   1.494  -3.294
  185   2HG2  VAL 272          2HG2      VAL 272  33.945   0.752  -3.215
  186   3HG2  VAL 272          3HG2      VAL 272  33.385   1.482  -4.720
  187    H    LEU 273           H        LEU 273  32.702   5.992  -2.185
  188    HA   LEU 273           HA       LEU 273  30.393   4.786  -0.845
  189   1HB   LEU 273          1HB       LEU 273  32.202   5.790   0.520
  190   2HB   LEU 273          2HB       LEU 273  31.897   7.347  -0.244
  191    HG   LEU 273           HG       LEU 273  29.561   7.291   0.625
  192   1HD1  LEU 273          1HD1      LEU 273  29.380   5.529   2.608
  193   2HD1  LEU 273          2HD1      LEU 273  30.503   4.621   1.599
  194   3HD1  LEU 273          3HD1      LEU 273  28.927   5.089   0.963
  195   1HD2  LEU 273          1HD2      LEU 273  31.434   8.366   1.889
  196   2HD2  LEU 273          2HD2      LEU 273  31.641   6.862   2.788
  197   3HD2  LEU 273          3HD2      LEU 273  30.141   7.777   2.935
  198    H    TYR 274           H        TYR 274  31.040   8.175  -1.639
  199    HA   TYR 274           HA       TYR 274  28.459   9.047  -1.917
  200   1HB   TYR 274          1HB       TYR 274  31.006   9.901  -3.268
  201   2HB   TYR 274          2HB       TYR 274  29.478  10.709  -3.619
  202    HD1  TYR 274           HD1      TYR 274  31.629   9.623  -0.747
  203    HD2  TYR 274           HD2      TYR 274  28.709  12.417  -2.207
  204    HE1  TYR 274           HE1      TYR 274  31.843  10.940   1.342
  205    HE2  TYR 274           HE2      TYR 274  28.925  13.733  -0.116
  206    HH   TYR 274           HH       TYR 274  31.230  12.773   2.430
  207    H    LYS 275           H        LYS 275  30.460   7.460  -4.371
  208    HA   LYS 275           HA       LYS 275  28.521   7.751  -6.465
  209   1HB   LYS 275          1HB       LYS 275  30.815   5.787  -6.288
  210   2HB   LYS 275          2HB       LYS 275  29.981   6.304  -7.750
  211   1HG   LYS 275          1HG       LYS 275  31.497   8.185  -5.909
  212   2HG   LYS 275          2HG       LYS 275  32.185   7.470  -7.364
  213   1HD   LYS 275          1HD       LYS 275  31.365   9.261  -8.467
  214   2HD   LYS 275          2HD       LYS 275  29.771   8.541  -8.255
  215   1HE   LYS 275          1HE       LYS 275  29.714   9.701  -5.970
  216   2HE   LYS 275          2HE       LYS 275  31.121  10.614  -6.518
  217   1HZ   LYS 275          1HZ       LYS 275  28.352  10.731  -7.437
  218   2HZ   LYS 275          2HZ       LYS 275  29.568  10.956  -8.603
  219   3HZ   LYS 275          3HZ       LYS 275  29.486  11.979  -7.249
  220    H    LYS 276           H        LYS 276  28.777   5.725  -3.765
  221    HA   LYS 276           HA       LYS 276  26.994   3.707  -4.984
  222   1HB   LYS 276          1HB       LYS 276  29.132   2.851  -4.048
  223   2HB   LYS 276          2HB       LYS 276  28.661   3.480  -2.468
  224   1HG   LYS 276          1HG       LYS 276  26.651   2.058  -2.487
  225   2HG   LYS 276          2HG       LYS 276  27.096   1.440  -4.078
  226   1HD   LYS 276          1HD       LYS 276  28.174  -0.198  -2.941
  227   2HD   LYS 276          2HD       LYS 276  29.401   1.026  -2.613
  228   1HE   LYS 276          1HE       LYS 276  28.794   0.097  -0.489
  229   2HE   LYS 276          2HE       LYS 276  28.028   1.684  -0.574
  230   1HZ   LYS 276          1HZ       LYS 276  26.789  -0.737  -0.130
  231   2HZ   LYS 276          2HZ       LYS 276  26.359  -0.302  -1.715
  232   3HZ   LYS 276          3HZ       LYS 276  26.038   0.755  -0.425
  233   1HN   NH2 277          1HN       NH2 277  27.449   4.631  -1.546
  234   2HN   NH2 277          2HN       NH2 277  25.806   5.008  -1.279
  Start of MODEL    4
    1   1H    HIS 250          1H        HIS 250  45.403  16.345  -2.886
    2   2H    HIS 250          2H        HIS 250  45.294  17.947  -2.332
    3   3H    HIS 250          3H        HIS 250  44.631  16.681  -1.414
    4    HA   HIS 250           HA       HIS 250  46.530  16.352  -0.359
    5   1HB   HIS 250          1HB       HIS 250  47.034  15.262  -2.794
    6   2HB   HIS 250          2HB       HIS 250  48.299  16.488  -2.735
    7    HD2  HIS 250           HD2      HIS 250  48.599  16.048   0.703
    8    HE1  HIS 250           HE1      HIS 250  50.094  12.309  -0.562
    9    HE2  HIS 250           HE2      HIS 250  49.963  13.930   1.388
   10    H    ILE 251           H        ILE 251  47.882  17.705   0.729
   11    HA   ILE 251           HA       ILE 251  48.152  20.429  -0.324
   12    HB   ILE 251           HB       ILE 251  49.172  19.868   2.376
   13   1HG1  ILE 251          1HG1      ILE 251  47.357  18.238   2.379
   14   2HG1  ILE 251          2HG1      ILE 251  46.870  19.640   3.328
   15   1HG2  ILE 251          1HG2      ILE 251  47.856  21.872   2.879
   16   2HG2  ILE 251          2HG2      ILE 251  47.086  21.787   1.294
   17   3HG2  ILE 251          3HG2      ILE 251  48.812  22.131   1.420
   18   1HD1  ILE 251          1HD1      ILE 251  45.021  19.735   2.042
   19   2HD1  ILE 251          2HD1      ILE 251  45.670  18.555   0.907
   20   3HD1  ILE 251          3HD1      ILE 251  46.060  20.263   0.720
   21    H    ASN 252           H        ASN 252  50.371  21.219   1.192
   22    HA   ASN 252           HA       ASN 252  52.516  20.087  -0.436
   23   1HB   ASN 252          1HB       ASN 252  52.238  22.537   1.285
   24   2HB   ASN 252          2HB       ASN 252  53.822  21.986   0.742
   25   1HD2  ASN 252          1HD2      ASN 252  51.236  21.245  -1.435
   26   2HD2  ASN 252          2HD2      ASN 252  51.542  22.485  -2.554
   27    H    GLU 253           H        GLU 253  51.147  19.162   2.332
   28    HA   GLU 253           HA       GLU 253  53.439  18.877   4.043
   29   1HB   GLU 253          1HB       GLU 253  50.724  17.546   4.155
   30   2HB   GLU 253          2HB       GLU 253  51.939  17.515   5.433
   31   1HG   GLU 253          1HG       GLU 253  51.284  20.214   4.441
   32   2HG   GLU 253          2HG       GLU 253  49.951  19.389   5.246
   33    H    LEU 254           H        LEU 254  52.942  17.586   1.181
   34    HA   LEU 254           HA       LEU 254  52.973  14.855   1.240
   35   1HB   LEU 254          1HB       LEU 254  54.924  16.425  -0.446
   36   2HB   LEU 254          2HB       LEU 254  54.142  14.894  -0.833
   37    HG   LEU 254           HG       LEU 254  52.829  17.614  -0.611
   38   1HD1  LEU 254          1HD1      LEU 254  52.677  17.567  -2.897
   39   2HD1  LEU 254          2HD1      LEU 254  52.500  15.813  -2.953
   40   3HD1  LEU 254          3HD1      LEU 254  54.097  16.532  -2.737
   41   1HD2  LEU 254          1HD2      LEU 254  50.776  16.211  -1.356
   42   2HD2  LEU 254          2HD2      LEU 254  51.234  16.156   0.347
   43   3HD2  LEU 254          3HD2      LEU 254  51.674  14.828  -0.728
   44    H    LEU 255           H        LEU 255  55.197  16.893   2.782
   45    HA   LEU 255           HA       LEU 255  57.310  14.862   2.863
   46   1HB   LEU 255          1HB       LEU 255  57.448  17.469   4.336
   47   2HB   LEU 255          2HB       LEU 255  58.747  16.534   3.594
   48    HG   LEU 255           HG       LEU 255  56.606  18.112   2.133
   49   1HD1  LEU 255          1HD1      LEU 255  58.986  18.968   3.267
   50   2HD1  LEU 255          2HD1      LEU 255  58.133  19.774   1.950
   51   3HD1  LEU 255          3HD1      LEU 255  59.439  18.643   1.594
   52   1HD2  LEU 255          1HD2      LEU 255  58.628  16.078   1.255
   53   2HD2  LEU 255          2HD2      LEU 255  58.291  17.442   0.190
   54   3HD2  LEU 255          3HD2      LEU 255  56.989  16.352   0.663
   55    H    HIS 256           H        HIS 256  54.975  16.528   4.917
   56    HA   HIS 256           HA       HIS 256  55.838  14.986   7.256
   57   1HB   HIS 256          1HB       HIS 256  53.641  17.050   7.142
   58   2HB   HIS 256          2HB       HIS 256  54.524  16.480   8.558
   59    HD2  HIS 256           HD2      HIS 256  55.412  18.521   5.254
   60    HE1  HIS 256           HE1      HIS 256  58.088  19.622   8.330
   61    HE2  HIS 256           HE2      HIS 256  57.394  20.083   5.932
   62    H    ILE 257           H        ILE 257  52.569  15.921   6.181
   63    HA   ILE 257           HA       ILE 257  51.093  13.999   7.361
   64    HB   ILE 257           HB       ILE 257  50.340  15.848   5.721
   65   1HG1  ILE 257          1HG1      ILE 257  49.078  13.103   5.902
   66   2HG1  ILE 257          2HG1      ILE 257  48.710  14.525   6.878
   67   1HG2  ILE 257          1HG2      ILE 257  50.052  15.268   3.450
   68   2HG2  ILE 257          2HG2      ILE 257  50.310  13.553   3.765
   69   3HG2  ILE 257          3HG2      ILE 257  51.668  14.675   3.827
   70   1HD1  ILE 257          1HD1      ILE 257  47.931  13.911   4.054
   71   2HD1  ILE 257          2HD1      ILE 257  48.184  15.597   4.505
   72   3HD1  ILE 257          3HD1      ILE 257  46.974  14.631   5.349
   73    H    LEU 258           H        LEU 258  53.086  13.563   4.495
   74    HA   LEU 258           HA       LEU 258  52.344  11.210   3.407
   75   1HB   LEU 258          1HB       LEU 258  54.664  12.664   3.387
   76   2HB   LEU 258          2HB       LEU 258  55.191  11.157   4.131
   77    HG   LEU 258           HG       LEU 258  53.946   9.968   2.223
   78   1HD1  LEU 258          1HD1      LEU 258  53.001  11.170   0.557
   79   2HD1  LEU 258          2HD1      LEU 258  54.380  12.265   0.459
   80   3HD1  LEU 258          3HD1      LEU 258  53.110  12.550   1.648
   81   1HD2  LEU 258          1HD2      LEU 258  56.343  11.696   1.530
   82   2HD2  LEU 258          2HD2      LEU 258  55.871  10.201   0.721
   83   3HD2  LEU 258          3HD2      LEU 258  56.421  10.162   2.396
   84    H    VAL 259           H        VAL 259  53.539  11.639   6.652
   85    HA   VAL 259           HA       VAL 259  54.437   9.206   7.452
   86    HB   VAL 259           HB       VAL 259  52.527  11.076   8.855
   87   1HG1  VAL 259          1HG1      VAL 259  53.386   9.760  10.921
   88   2HG1  VAL 259          2HG1      VAL 259  53.768   8.483   9.767
   89   3HG1  VAL 259          3HG1      VAL 259  52.102   9.033   9.954
   90   1HG2  VAL 259          1HG2      VAL 259  54.408  12.124   9.585
   91   2HG2  VAL 259          2HG2      VAL 259  55.206  11.297   8.248
   92   3HG2  VAL 259          3HG2      VAL 259  55.252  10.602   9.868
   93    H    PHE 260           H        PHE 260  50.998  10.103   7.173
   94    HA   PHE 260           HA       PHE 260  49.831   7.729   7.986
   95   1HB   PHE 260          1HB       PHE 260  49.032   9.876   6.061
   96   2HB   PHE 260          2HB       PHE 260  48.066   8.401   6.140
   97    HD1  PHE 260           HD1      PHE 260  49.562  11.063   8.304
   98    HD2  PHE 260           HD2      PHE 260  46.471   8.116   7.843
   99    HE1  PHE 260           HE1      PHE 260  48.469  11.886  10.373
  100    HE2  PHE 260           HE2      PHE 260  45.378   8.939   9.912
  101    HZ   PHE 260           HZ       PHE 260  46.377  10.823  11.177
  102    H    GLY 261           H        GLY 261  49.811   8.511   4.534
  103   1HA   GLY 261          1HA       GLY 261  50.669   7.257   2.739
  104   2HA   GLY 261          2HA       GLY 261  51.108   5.979   3.867
  105    H    GLU 262           H        GLU 262  48.205   6.481   4.951
  106    HA   GLU 262           HA       GLU 262  47.005   4.415   3.270
  107   1HB   GLU 262          1HB       GLU 262  45.323   4.249   5.026
  108   2HB   GLU 262          2HB       GLU 262  46.933   4.215   5.744
  109   1HG   GLU 262          1HG       GLU 262  46.251   5.911   7.064
  110   2HG   GLU 262          2HG       GLU 262  46.312   6.929   5.627
  111    H    SER 263           H        SER 263  47.181   7.678   3.127
  112    HA   SER 263           HA       SER 263  44.716   8.796   2.899
  113   1HB   SER 263          1HB       SER 263  45.617  10.251   1.163
  114   2HB   SER 263          2HB       SER 263  46.838   9.971   2.401
  115    HG   SER 263           HG       SER 263  46.590   8.576  -0.065
  116    H    LEU 264           H        LEU 264  46.253   6.656   0.521
  117    HA   LEU 264           HA       LEU 264  44.421   6.827  -1.550
  118   1HB   LEU 264          1HB       LEU 264  45.089   4.489  -2.104
  119   2HB   LEU 264          2HB       LEU 264  46.465   5.543  -1.783
  120    HG   LEU 264           HG       LEU 264  45.553   4.370   0.689
  121   1HD1  LEU 264          1HD1      LEU 264  46.315   2.401  -1.490
  122   2HD1  LEU 264          2HD1      LEU 264  44.695   2.575  -0.817
  123   3HD1  LEU 264          3HD1      LEU 264  46.020   2.017   0.206
  124   1HD2  LEU 264          1HD2      LEU 264  48.095   3.906  -0.902
  125   2HD2  LEU 264          2HD2      LEU 264  47.885   3.703   0.837
  126   3HD2  LEU 264          3HD2      LEU 264  47.817   5.314   0.123
  127    H    LEU 265           H        LEU 265  44.062   5.387   1.585
  128    HA   LEU 265           HA       LEU 265  41.637   3.943   0.821
  129   1HB   LEU 265          1HB       LEU 265  43.063   4.227   3.478
  130   2HB   LEU 265          2HB       LEU 265  41.618   3.250   3.214
  131    HG   LEU 265           HG       LEU 265  43.938   2.817   1.386
  132   1HD1  LEU 265          1HD1      LEU 265  44.599   1.018   3.217
  133   2HD1  LEU 265          2HD1      LEU 265  43.874   2.192   4.316
  134   3HD1  LEU 265          3HD1      LEU 265  45.240   2.659   3.302
  135   1HD2  LEU 265          1HD2      LEU 265  42.274   0.718   2.742
  136   2HD2  LEU 265          2HD2      LEU 265  42.982   0.706   1.127
  137   3HD2  LEU 265          3HD2      LEU 265  41.552   1.684   1.456
  138    H    ASN 266           H        ASN 266  42.618   6.959   2.162
  139    HA   ASN 266           HA       ASN 266  40.008   7.522   3.340
  140   1HB   ASN 266          1HB       ASN 266  41.117   9.045   4.559
  141   2HB   ASN 266          2HB       ASN 266  42.602   8.405   3.857
  142   1HD2  ASN 266          1HD2      ASN 266  42.971   9.373   1.468
  143   2HD2  ASN 266          2HD2      ASN 266  42.739  11.050   1.349
  144    H    ASP 267           H        ASP 267  41.572   7.820   0.337
  145    HA   ASP 267           HA       ASP 267  40.006  10.118  -0.547
  146   1HB   ASP 267          1HB       ASP 267  42.423   8.838  -1.378
  147   2HB   ASP 267          2HB       ASP 267  41.290   8.818  -2.728
  148    H    ALA 268           H        ALA 268  39.868   6.662  -0.598
  149    HA   ALA 268           HA       ALA 268  37.883   6.595  -2.740
  150   1HB   ALA 268          1HB       ALA 268  37.995   4.061  -1.631
  151   2HB   ALA 268          2HB       ALA 268  39.638   4.668  -1.422
  152   3HB   ALA 268          3HB       ALA 268  38.916   4.615  -3.030
  153    H    VAL 269           H        VAL 269  38.109   5.943   0.742
  154    HA   VAL 269           HA       VAL 269  35.564   5.012   1.261
  155    HB   VAL 269           HB       VAL 269  37.483   5.328   2.902
  156   1HG1  VAL 269          1HG1      VAL 269  36.253   8.056   3.319
  157   2HG1  VAL 269          2HG1      VAL 269  37.655   7.823   2.275
  158   3HG1  VAL 269          3HG1      VAL 269  37.756   7.419   3.988
  159   1HG2  VAL 269          1HG2      VAL 269  34.749   6.323   3.765
  160   2HG2  VAL 269          2HG2      VAL 269  35.963   5.578   4.802
  161   3HG2  VAL 269          3HG2      VAL 269  35.174   4.626   3.545
  162    H    THR 270           H        THR 270  36.633   8.343   0.765
  163    HA   THR 270           HA       THR 270  34.142   9.559   1.437
  164    HB   THR 270           HB       THR 270  36.088  10.939   1.500
  165    HG1  THR 270           HG1      THR 270  34.779  12.389   0.755
  166   1HG2  THR 270          1HG2      THR 270  36.522   9.892  -1.293
  167   2HG2  THR 270          2HG2      THR 270  37.626   9.844   0.082
  168   3HG2  THR 270          3HG2      THR 270  37.306  11.372  -0.739
  169    H    VAL 271           H        VAL 271  35.100   7.667  -1.169
  170    HA   VAL 271           HA       VAL 271  32.994   8.798  -2.913
  171    HB   VAL 271           HB       VAL 271  35.421   7.141  -3.635
  172   1HG1  VAL 271          1HG1      VAL 271  34.530   7.981  -5.990
  173   2HG1  VAL 271          2HG1      VAL 271  32.985   8.018  -5.141
  174   3HG1  VAL 271          3HG1      VAL 271  33.890   6.509  -5.261
  175   1HG2  VAL 271          1HG2      VAL 271  35.102   9.917  -3.195
  176   2HG2  VAL 271          2HG2      VAL 271  35.155   9.704  -4.945
  177   3HG2  VAL 271          3HG2      VAL 271  36.479   9.108  -3.943
  178    H    VAL 272           H        VAL 272  34.156   5.991  -1.226
  179    HA   VAL 272           HA       VAL 272  32.186   4.246  -2.511
  180    HB   VAL 272           HB       VAL 272  34.273   3.666  -0.396
  181   1HG1  VAL 272          1HG1      VAL 272  32.579   2.033  -0.127
  182   2HG1  VAL 272          2HG1      VAL 272  33.746   1.267  -1.205
  183   3HG1  VAL 272          3HG1      VAL 272  32.261   1.956  -1.859
  184   1HG2  VAL 272          1HG2      VAL 272  34.478   2.441  -3.064
  185   2HG2  VAL 272          2HG2      VAL 272  35.722   3.222  -2.089
  186   3HG2  VAL 272          3HG2      VAL 272  34.638   4.197  -3.081
  187    H    LEU 273           H        LEU 273  32.677   6.060   0.403
  188    HA   LEU 273           HA       LEU 273  30.578   4.654   1.860
  189   1HB   LEU 273          1HB       LEU 273  32.676   5.584   2.945
  190   2HB   LEU 273          2HB       LEU 273  32.009   7.192   2.664
  191    HG   LEU 273           HG       LEU 273  29.864   6.115   3.826
  192   1HD1  LEU 273          1HD1      LEU 273  31.357   3.924   3.955
  193   2HD1  LEU 273          2HD1      LEU 273  30.272   4.353   5.278
  194   3HD1  LEU 273          3HD1      LEU 273  31.995   4.714   5.398
  195   1HD2  LEU 273          1HD2      LEU 273  31.101   8.088   4.633
  196   2HD2  LEU 273          2HD2      LEU 273  32.342   7.038   5.317
  197   3HD2  LEU 273          3HD2      LEU 273  30.707   7.015   5.978
  198    H    TYR 274           H        TYR 274  31.156   7.908   0.540
  199    HA   TYR 274           HA       TYR 274  28.640   8.983   1.223
  200   1HB   TYR 274          1HB       TYR 274  30.812   9.703  -0.697
  201   2HB   TYR 274          2HB       TYR 274  29.249  10.505  -0.851
  202    HD1  TYR 274           HD1      TYR 274  31.344   9.358   2.050
  203    HD2  TYR 274           HD2      TYR 274  29.243  12.603   0.176
  204    HE1  TYR 274           HE1      TYR 274  31.912  10.829   3.962
  205    HE2  TYR 274           HE2      TYR 274  29.813  14.075   2.088
  206    HH   TYR 274           HH       TYR 274  31.180  12.841   5.014
  207    H    LYS 275           H        LYS 275  29.816   7.601  -1.847
  208    HA   LYS 275           HA       LYS 275  27.549   7.903  -3.393
  209   1HB   LYS 275          1HB       LYS 275  29.674   5.779  -3.308
  210   2HB   LYS 275          2HB       LYS 275  28.333   5.655  -4.446
  211   1HG   LYS 275          1HG       LYS 275  29.890   8.224  -4.226
  212   2HG   LYS 275          2HG       LYS 275  30.525   6.891  -5.189
  213   1HD   LYS 275          1HD       LYS 275  28.976   7.177  -6.829
  214   2HD   LYS 275          2HD       LYS 275  27.674   7.492  -5.683
  215   1HE   LYS 275          1HE       LYS 275  28.345   9.774  -5.409
  216   2HE   LYS 275          2HE       LYS 275  29.861   9.498  -6.268
  217   1HZ   LYS 275          1HZ       LYS 275  28.840   9.504  -8.274
  218   2HZ   LYS 275          2HZ       LYS 275  27.754  10.517  -7.450
  219   3HZ   LYS 275          3HZ       LYS 275  27.381   8.875  -7.678
  220    H    LYS 276           H        LYS 276  27.836   6.164  -0.523
  221    HA   LYS 276           HA       LYS 276  25.131   5.254  -0.628
  222   1HB   LYS 276          1HB       LYS 276  25.936   2.779  -0.231
  223   2HB   LYS 276          2HB       LYS 276  25.727   3.391  -1.872
  224   1HG   LYS 276          1HG       LYS 276  28.076   3.782  -2.125
  225   2HG   LYS 276          2HG       LYS 276  28.369   3.532  -0.403
  226   1HD   LYS 276          1HD       LYS 276  28.252   1.243  -0.573
  227   2HD   LYS 276          2HD       LYS 276  27.072   1.297  -1.883
  228   1HE   LYS 276          1HE       LYS 276  28.749   1.814  -3.503
  229   2HE   LYS 276          2HE       LYS 276  29.947   2.155  -2.255
  230   1HZ   LYS 276          1HZ       LYS 276  28.696  -0.501  -2.364
  231   2HZ   LYS 276          2HZ       LYS 276  30.231  -0.055  -1.787
  232   3HZ   LYS 276          3HZ       LYS 276  29.936  -0.128  -3.458
  233   1HN   NH2 277          1HN       NH2 277  27.389   3.213   1.089
  234   2HN   NH2 277          2HN       NH2 277  27.146   3.914   2.627
  Start of MODEL    5
    1   1H    HIS 250          1H        HIS 250  66.091  10.236   8.692
    2   2H    HIS 250          2H        HIS 250  66.009   9.979   7.014
    3   3H    HIS 250          3H        HIS 250  67.282   9.309   7.919
    4    HA   HIS 250           HA       HIS 250  65.977   7.475   7.732
    5   1HB   HIS 250          1HB       HIS 250  65.692   8.950  10.195
    6   2HB   HIS 250          2HB       HIS 250  64.221   8.029   9.881
    7    HD2  HIS 250           HD2      HIS 250  65.226   5.216   8.836
    8    HE1  HIS 250           HE1      HIS 250  68.095   5.242  11.933
    9    HE2  HIS 250           HE2      HIS 250  66.889   3.777  10.245
   10    H    ILE 251           H        ILE 251  63.703   6.542   7.764
   11    HA   ILE 251           HA       ILE 251  61.932   8.324   6.215
   12    HB   ILE 251           HB       ILE 251  61.645   5.335   6.370
   13   1HG1  ILE 251          1HG1      ILE 251  63.012   5.715   4.048
   14   2HG1  ILE 251          2HG1      ILE 251  63.791   6.920   5.074
   15   1HG2  ILE 251          1HG2      ILE 251  60.110   7.251   5.206
   16   2HG2  ILE 251          2HG2      ILE 251  60.251   5.609   4.578
   17   3HG2  ILE 251          3HG2      ILE 251  61.228   6.904   3.887
   18   1HD1  ILE 251          1HD1      ILE 251  63.923   5.003   6.832
   19   2HD1  ILE 251          2HD1      ILE 251  65.059   4.981   5.484
   20   3HD1  ILE 251          3HD1      ILE 251  63.638   3.936   5.458
   21    H    ASN 252           H        ASN 252  62.267   7.800   9.266
   22    HA   ASN 252           HA       ASN 252  59.593   6.845   9.948
   23   1HB   ASN 252          1HB       ASN 252  62.085   7.487  11.479
   24   2HB   ASN 252          2HB       ASN 252  60.537   7.479  12.323
   25   1HD2  ASN 252          1HD2      ASN 252  62.085   5.387   9.807
   26   2HD2  ASN 252          2HD2      ASN 252  61.718   3.931  10.596
   27    H    GLU 253           H        GLU 253  61.545   9.788  10.341
   28    HA   GLU 253           HA       GLU 253  59.829  11.438  11.677
   29   1HB   GLU 253          1HB       GLU 253  61.533  12.165   9.282
   30   2HB   GLU 253          2HB       GLU 253  60.841  13.319  10.424
   31   1HG   GLU 253          1HG       GLU 253  62.498  11.043  11.464
   32   2HG   GLU 253          2HG       GLU 253  63.305  12.449  10.770
   33    H    LEU 254           H        LEU 254  59.528  10.279   8.393
   34    HA   LEU 254           HA       LEU 254  57.510  12.152   7.585
   35   1HB   LEU 254          1HB       LEU 254  58.490   9.526   6.475
   36   2HB   LEU 254          2HB       LEU 254  57.138  10.401   5.752
   37    HG   LEU 254           HG       LEU 254  58.572  12.393   5.482
   38   1HD1  LEU 254          1HD1      LEU 254  60.163  12.312   7.194
   39   2HD1  LEU 254          2HD1      LEU 254  61.118  11.839   5.789
   40   3HD1  LEU 254          3HD1      LEU 254  60.527  10.610   6.909
   41   1HD2  LEU 254          1HD2      LEU 254  58.996  11.479   3.465
   42   2HD2  LEU 254          2HD2      LEU 254  58.888   9.855   4.147
   43   3HD2  LEU 254          3HD2      LEU 254  60.429  10.714   4.152
   44    H    LEU 255           H        LEU 255  57.445   9.751   9.834
   45    HA   LEU 255           HA       LEU 255  55.251   8.178   9.495
   46   1HB   LEU 255          1HB       LEU 255  56.418   9.544  11.883
   47   2HB   LEU 255          2HB       LEU 255  54.859   8.737  12.058
   48    HG   LEU 255           HG       LEU 255  57.064   7.261  10.670
   49   1HD1  LEU 255          1HD1      LEU 255  58.271   8.018  12.595
   50   2HD1  LEU 255          2HD1      LEU 255  57.723   6.386  12.978
   51   3HD1  LEU 255          3HD1      LEU 255  56.873   7.780  13.646
   52   1HD2  LEU 255          1HD2      LEU 255  54.765   6.338  10.859
   53   2HD2  LEU 255          2HD2      LEU 255  54.878   6.449  12.615
   54   3HD2  LEU 255          3HD2      LEU 255  55.936   5.349  11.731
   55    H    HIS 256           H        HIS 256  55.156  11.465  10.886
   56    HA   HIS 256           HA       HIS 256  52.348  11.659  11.011
   57   1HB   HIS 256          1HB       HIS 256  54.264  13.962  10.611
   58   2HB   HIS 256          2HB       HIS 256  52.683  14.000  11.391
   59    HD2  HIS 256           HD2      HIS 256  56.324  12.677  12.178
   60    HE1  HIS 256           HE1      HIS 256  54.063  12.601  15.743
   61    HE2  HIS 256           HE2      HIS 256  56.379  12.268  14.757
   62    H    ILE 257           H        ILE 257  54.587  12.016   8.388
   63    HA   ILE 257           HA       ILE 257  52.659  13.374   6.675
   64    HB   ILE 257           HB       ILE 257  55.515  12.490   6.378
   65   1HG1  ILE 257          1HG1      ILE 257  55.862  14.846   5.935
   66   2HG1  ILE 257          2HG1      ILE 257  54.125  15.130   5.838
   67   1HG2  ILE 257          1HG2      ILE 257  55.227  13.493   3.993
   68   2HG2  ILE 257          2HG2      ILE 257  53.518  13.122   4.212
   69   3HG2  ILE 257          3HG2      ILE 257  54.715  11.828   4.265
   70   1HD1  ILE 257          1HD1      ILE 257  55.292  15.740   8.056
   71   2HD1  ILE 257          2HD1      ILE 257  55.397  14.001   8.331
   72   3HD1  ILE 257          3HD1      ILE 257  53.820  14.774   8.160
   73    H    LEU 258           H        LEU 258  53.848  10.161   7.306
   74    HA   LEU 258           HA       LEU 258  53.169   8.844   4.946
   75   1HB   LEU 258          1HB       LEU 258  53.768   8.113   7.682
   76   2HB   LEU 258          2HB       LEU 258  52.503   7.079   7.018
   77    HG   LEU 258           HG       LEU 258  55.103   7.676   5.584
   78   1HD1  LEU 258          1HD1      LEU 258  56.072   6.242   7.030
   79   2HD1  LEU 258          2HD1      LEU 258  55.037   4.982   6.356
   80   3HD1  LEU 258          3HD1      LEU 258  54.523   5.873   7.789
   81   1HD2  LEU 258          1HD2      LEU 258  53.752   5.205   4.920
   82   2HD2  LEU 258          2HD2      LEU 258  54.177   6.550   3.862
   83   3HD2  LEU 258          3HD2      LEU 258  52.646   6.567   4.737
   84    H    VAL 259           H        VAL 259  51.150  10.184   7.420
   85    HA   VAL 259           HA       VAL 259  48.809   8.676   7.069
   86    HB   VAL 259           HB       VAL 259  49.317  11.511   7.950
   87   1HG1  VAL 259          1HG1      VAL 259  47.173  11.814   7.090
   88   2HG1  VAL 259          2HG1      VAL 259  46.805  11.240   8.718
   89   3HG1  VAL 259          3HG1      VAL 259  46.720  10.129   7.351
   90   1HG2  VAL 259          1HG2      VAL 259  48.029   9.290   9.518
   91   2HG2  VAL 259          2HG2      VAL 259  48.970  10.661  10.105
   92   3HG2  VAL 259          3HG2      VAL 259  49.780   9.310   9.311
   93    H    PHE 260           H        PHE 260  49.552  11.884   5.675
   94    HA   PHE 260           HA       PHE 260  47.384  12.025   3.932
   95   1HB   PHE 260          1HB       PHE 260  50.046  13.107   3.088
   96   2HB   PHE 260          2HB       PHE 260  48.449  13.847   2.973
   97    HD1  PHE 260           HD1      PHE 260  51.389  14.450   4.461
   98    HD2  PHE 260           HD2      PHE 260  47.334  13.640   5.625
   99    HE1  PHE 260           HE1      PHE 260  51.771  15.624   6.611
  100    HE2  PHE 260           HE2      PHE 260  47.717  14.813   7.775
  101    HZ   PHE 260           HZ       PHE 260  49.935  15.806   8.269
  102    H    GLY 261           H        GLY 261  49.875   9.803   3.931
  103   1HA   GLY 261          1HA       GLY 261  49.620   9.279   1.032
  104   2HA   GLY 261          2HA       GLY 261  50.982   8.774   2.028
  105    H    GLU 262           H        GLU 262  48.889   8.097   4.184
  106    HA   GLU 262           HA       GLU 262  48.510   5.348   3.294
  107   1HB   GLU 262          1HB       GLU 262  48.369   4.777   5.507
  108   2HB   GLU 262          2HB       GLU 262  49.259   6.286   5.682
  109   1HG   GLU 262          1HG       GLU 262  46.958   7.425   5.882
  110   2HG   GLU 262          2HG       GLU 262  46.306   5.801   6.108
  111    H    SER 263           H        SER 263  46.660   8.243   3.803
  112    HA   SER 263           HA       SER 263  44.086   7.241   4.130
  113   1HB   SER 263          1HB       SER 263  45.290   9.749   3.335
  114   2HB   SER 263          2HB       SER 263  43.826   9.436   2.406
  115    HG   SER 263           HG       SER 263  43.961   9.095   5.213
  116    H    LEU 264           H        LEU 264  46.182   6.655   1.594
  117    HA   LEU 264           HA       LEU 264  44.827   6.742  -0.758
  118   1HB   LEU 264          1HB       LEU 264  47.096   5.499   0.053
  119   2HB   LEU 264          2HB       LEU 264  46.051   4.103  -0.206
  120    HG   LEU 264           HG       LEU 264  46.591   6.302  -2.226
  121   1HD1  LEU 264          1HD1      LEU 264  48.334   5.058  -2.914
  122   2HD1  LEU 264          2HD1      LEU 264  47.299   3.637  -3.055
  123   3HD1  LEU 264          3HD1      LEU 264  48.093   4.003  -1.522
  124   1HD2  LEU 264          1HD2      LEU 264  44.766   3.908  -2.170
  125   2HD2  LEU 264          2HD2      LEU 264  45.430   4.469  -3.704
  126   3HD2  LEU 264          3HD2      LEU 264  44.427   5.546  -2.731
  127    H    LEU 265           H        LEU 265  44.166   4.635   1.963
  128    HA   LEU 265           HA       LEU 265  42.244   3.025   0.509
  129   1HB   LEU 265          1HB       LEU 265  42.470   3.140   3.506
  130   2HB   LEU 265          2HB       LEU 265  42.020   1.777   2.480
  131    HG   LEU 265           HG       LEU 265  44.773   3.026   2.718
  132   1HD1  LEU 265          1HD1      LEU 265  44.624   0.182   3.135
  133   2HD1  LEU 265          2HD1      LEU 265  43.451   0.983   4.180
  134   3HD1  LEU 265          3HD1      LEU 265  45.155   1.433   4.260
  135   1HD2  LEU 265          1HD2      LEU 265  44.554   2.389   0.439
  136   2HD2  LEU 265          2HD2      LEU 265  43.628   0.945   0.848
  137   3HD2  LEU 265          3HD2      LEU 265  45.352   1.018   1.208
  138    H    ASN 266           H        ASN 266  42.159   5.567   2.988
  139    HA   ASN 266           HA       ASN 266  39.315   5.634   3.197
  140   1HB   ASN 266          1HB       ASN 266  39.770   7.005   4.910
  141   2HB   ASN 266          2HB       ASN 266  41.480   6.815   4.530
  142   1HD2  ASN 266          1HD2      ASN 266  42.133   8.325   2.507
  143   2HD2  ASN 266          2HD2      ASN 266  41.556   9.917   2.609
  144    H    ASP 267           H        ASP 267  41.205   6.339   0.629
  145    HA   ASP 267           HA       ASP 267  40.001   8.813  -0.240
  146   1HB   ASP 267          1HB       ASP 267  41.535   8.760  -1.913
  147   2HB   ASP 267          2HB       ASP 267  42.295   7.524  -0.910
  148    H    ALA 268           H        ALA 268  38.772   5.799   0.095
  149    HA   ALA 268           HA       ALA 268  37.263   5.724  -2.405
  150   1HB   ALA 268          1HB       ALA 268  37.398   3.525  -1.979
  151   2HB   ALA 268          2HB       ALA 268  36.263   3.775  -0.653
  152   3HB   ALA 268          3HB       ALA 268  37.999   3.824  -0.348
  153    H    VAL 269           H        VAL 269  36.900   6.689   0.909
  154    HA   VAL 269           HA       VAL 269  33.992   6.889   0.701
  155    HB   VAL 269           HB       VAL 269  34.798   6.125   2.823
  156   1HG1  VAL 269          1HG1      VAL 269  36.662   8.485   2.581
  157   2HG1  VAL 269          2HG1      VAL 269  37.062   6.794   2.879
  158   3HG1  VAL 269          3HG1      VAL 269  36.310   7.760   4.149
  159   1HG2  VAL 269          1HG2      VAL 269  33.010   8.041   2.647
  160   2HG2  VAL 269          2HG2      VAL 269  34.273   9.037   3.371
  161   3HG2  VAL 269          3HG2      VAL 269  33.667   7.620   4.229
  162    H    THR 270           H        THR 270  36.783   8.811   0.211
  163    HA   THR 270           HA       THR 270  35.372  11.346   0.556
  164    HB   THR 270           HB       THR 270  37.889  10.819   1.093
  165    HG1  THR 270           HG1      THR 270  38.332  13.025   0.586
  166   1HG2  THR 270          1HG2      THR 270  38.208  11.770  -1.746
  167   2HG2  THR 270          2HG2      THR 270  38.149  10.045  -1.377
  168   3HG2  THR 270          3HG2      THR 270  39.416  11.054  -0.678
  169    H    VAL 271           H        VAL 271  36.027   9.058  -1.903
  170    HA   VAL 271           HA       VAL 271  36.288  10.476  -4.226
  171    HB   VAL 271           HB       VAL 271  36.062   7.970  -4.001
  172   1HG1  VAL 271          1HG1      VAL 271  33.979   6.956  -3.758
  173   2HG1  VAL 271          2HG1      VAL 271  33.108   8.370  -4.352
  174   3HG1  VAL 271          3HG1      VAL 271  33.788   8.372  -2.724
  175   1HG2  VAL 271          1HG2      VAL 271  35.064   7.703  -6.223
  176   2HG2  VAL 271          2HG2      VAL 271  36.060   9.159  -6.193
  177   3HG2  VAL 271          3HG2      VAL 271  34.304   9.289  -6.094
  178    H    VAL 272           H        VAL 272  33.557  10.368  -2.084
  179    HA   VAL 272           HA       VAL 272  31.863  11.811  -4.005
  180    HB   VAL 272           HB       VAL 272  31.198  10.736  -1.253
  181   1HG1  VAL 272          1HG1      VAL 272  29.687  12.509  -1.792
  182   2HG1  VAL 272          2HG1      VAL 272  28.839  11.014  -2.190
  183   3HG1  VAL 272          3HG1      VAL 272  29.564  11.984  -3.473
  184   1HG2  VAL 272          1HG2      VAL 272  31.107   9.585  -4.016
  185   2HG2  VAL 272          2HG2      VAL 272  29.809   9.171  -2.897
  186   3HG2  VAL 272          3HG2      VAL 272  31.481   8.792  -2.486
  187    H    LEU 273           H        LEU 273  33.865  12.333  -1.256
  188    HA   LEU 273           HA       LEU 273  32.607  14.896  -0.611
  189   1HB   LEU 273          1HB       LEU 273  35.076  13.671   0.628
  190   2HB   LEU 273          2HB       LEU 273  34.067  14.958   1.288
  191    HG   LEU 273           HG       LEU 273  33.164  12.107   0.782
  192   1HD1  LEU 273          1HD1      LEU 273  32.927  12.775   3.495
  193   2HD1  LEU 273          2HD1      LEU 273  34.507  13.393   3.015
  194   3HD1  LEU 273          3HD1      LEU 273  34.119  11.688   2.781
  195   1HD2  LEU 273          1HD2      LEU 273  31.791  14.613   1.731
  196   2HD2  LEU 273          2HD2      LEU 273  31.234  13.037   2.292
  197   3HD2  LEU 273          3HD2      LEU 273  31.226  13.412   0.570
  198    H    TYR 274           H        TYR 274  35.015  13.697  -2.671
  199    HA   TYR 274           HA       TYR 274  36.609  16.148  -2.620
  200   1HB   TYR 274          1HB       TYR 274  38.244  14.785  -3.307
  201   2HB   TYR 274          2HB       TYR 274  37.107  13.438  -3.293
  202    HD1  TYR 274           HD1      TYR 274  39.178  15.495  -5.333
  203    HD2  TYR 274           HD2      TYR 274  35.531  13.224  -5.373
  204    HE1  TYR 274           HE1      TYR 274  39.273  15.384  -7.808
  205    HE2  TYR 274           HE2      TYR 274  35.630  13.110  -7.846
  206    HH   TYR 274           HH       TYR 274  37.413  13.260  -9.625
  207    H    LYS 275           H        LYS 275  33.773  15.182  -3.981
  208    HA   LYS 275           HA       LYS 275  33.976  16.029  -6.671
  209   1HB   LYS 275          1HB       LYS 275  31.490  16.282  -4.977
  210   2HB   LYS 275          2HB       LYS 275  31.593  16.007  -6.711
  211   1HG   LYS 275          1HG       LYS 275  32.587  14.031  -4.627
  212   2HG   LYS 275          2HG       LYS 275  30.992  13.952  -5.358
  213   1HD   LYS 275          1HD       LYS 275  33.630  13.773  -6.847
  214   2HD   LYS 275          2HD       LYS 275  32.552  12.432  -6.495
  215   1HE   LYS 275          1HE       LYS 275  30.785  14.029  -7.698
  216   2HE   LYS 275          2HE       LYS 275  32.249  14.623  -8.484
  217   1HZ   LYS 275          1HZ       LYS 275  31.276  12.797  -9.721
  218   2HZ   LYS 275          2HZ       LYS 275  31.374  11.787  -8.357
  219   3HZ   LYS 275          3HZ       LYS 275  32.792  12.352  -9.105
  220    H    LYS 276           H        LYS 276  33.552  17.757  -3.666
  221    HA   LYS 276           HA       LYS 276  33.126  20.277  -5.129
  222   1HB   LYS 276          1HB       LYS 276  31.532  20.080  -3.404
  223   2HB   LYS 276          2HB       LYS 276  32.721  19.455  -2.260
  224   1HG   LYS 276          1HG       LYS 276  33.721  21.566  -1.954
  225   2HG   LYS 276          2HG       LYS 276  33.030  22.208  -3.446
  226   1HD   LYS 276          1HD       LYS 276  31.873  23.084  -1.424
  227   2HD   LYS 276          2HD       LYS 276  30.789  22.161  -2.466
  228   1HE   LYS 276          1HE       LYS 276  30.821  20.280  -1.029
  229   2HE   LYS 276          2HE       LYS 276  32.252  20.854  -0.173
  230   1HZ   LYS 276          1HZ       LYS 276  29.473  21.810   0.017
  231   2HZ   LYS 276          2HZ       LYS 276  30.759  22.844   0.420
  232   3HZ   LYS 276          3HZ       LYS 276  30.543  21.384   1.261
  233   1HN   NH2 277          1HN       NH2 277  35.151  19.115  -2.367
  234   2HN   NH2 277          2HN       NH2 277  36.465  20.144  -2.725
  Start of MODEL    6
    1   1H    HIS 250          1H        HIS 250  51.901  -1.312   8.772
    2   2H    HIS 250          2H        HIS 250  51.550  -0.522  10.235
    3   3H    HIS 250          3H        HIS 250  52.532  -1.909  10.230
    4    HA   HIS 250           HA       HIS 250  53.377   0.400   8.638
    5   1HB   HIS 250          1HB       HIS 250  53.169   0.271  11.607
    6   2HB   HIS 250          2HB       HIS 250  54.669   0.916  10.940
    7    HD2  HIS 250           HD2      HIS 250  51.348   1.663   9.007
    8    HE1  HIS 250           HE1      HIS 250  52.580   5.236  10.889
    9    HE2  HIS 250           HE2      HIS 250  50.928   4.229   9.242
   10    H    ILE 251           H        ILE 251  54.710  -1.420  11.384
   11    HA   ILE 251           HA       ILE 251  56.548  -2.787  11.561
   12    HB   ILE 251           HB       ILE 251  56.169  -3.455   8.645
   13   1HG1  ILE 251          1HG1      ILE 251  53.948  -3.571   9.561
   14   2HG1  ILE 251          2HG1      ILE 251  54.564  -5.222   9.524
   15   1HG2  ILE 251          1HG2      ILE 251  57.448  -5.275   9.116
   16   2HG2  ILE 251          2HG2      ILE 251  56.667  -5.533  10.676
   17   3HG2  ILE 251          3HG2      ILE 251  57.963  -4.346  10.525
   18   1HD1  ILE 251          1HD1      ILE 251  53.625  -5.010  11.685
   19   2HD1  ILE 251          2HD1      ILE 251  54.275  -3.386  11.901
   20   3HD1  ILE 251          3HD1      ILE 251  55.353  -4.781  11.945
   21    H    ASN 252           H        ASN 252  58.058  -3.298   8.868
   22    HA   ASN 252           HA       ASN 252  59.977  -1.153   9.277
   23   1HB   ASN 252          1HB       ASN 252  59.961  -3.585   7.481
   24   2HB   ASN 252          2HB       ASN 252  61.284  -2.422   7.542
   25   1HD2  ASN 252          1HD2      ASN 252  59.491  -4.794   9.531
   26   2HD2  ASN 252          2HD2      ASN 252  60.726  -4.997  10.678
   27    H    GLU 253           H        GLU 253  57.409  -1.944   7.124
   28    HA   GLU 253           HA       GLU 253  58.230  -0.529   4.823
   29   1HB   GLU 253          1HB       GLU 253  55.410  -0.981   5.813
   30   2HB   GLU 253          2HB       GLU 253  55.902  -0.627   4.154
   31   1HG   GLU 253          1HG       GLU 253  57.426  -2.757   4.479
   32   2HG   GLU 253          2HG       GLU 253  56.260  -3.147   5.743
   33    H    LEU 254           H        LEU 254  57.837   0.641   7.837
   34    HA   LEU 254           HA       LEU 254  56.251   2.896   7.732
   35   1HB   LEU 254          1HB       LEU 254  57.734   1.946   9.653
   36   2HB   LEU 254          2HB       LEU 254  58.970   3.022   9.001
   37    HG   LEU 254           HG       LEU 254  56.953   4.767   9.053
   38   1HD1  LEU 254          1HD1      LEU 254  55.440   2.891   9.934
   39   2HD1  LEU 254          2HD1      LEU 254  55.416   4.405  10.837
   40   3HD1  LEU 254          3HD1      LEU 254  56.334   3.029  11.447
   41   1HD2  LEU 254          1HD2      LEU 254  58.966   5.255  10.213
   42   2HD2  LEU 254          2HD2      LEU 254  58.767   3.881  11.301
   43   3HD2  LEU 254          3HD2      LEU 254  57.721   5.293  11.462
   44    H    LEU 255           H        LEU 255  58.892   2.191   5.767
   45    HA   LEU 255           HA       LEU 255  59.484   5.015   5.206
   46   1HB   LEU 255          1HB       LEU 255  60.836   2.615   3.980
   47   2HB   LEU 255          2HB       LEU 255  61.445   4.266   4.106
   48    HG   LEU 255           HG       LEU 255  60.956   2.364   6.418
   49   1HD1  LEU 255          1HD1      LEU 255  63.363   2.337   6.646
   50   2HD1  LEU 255          2HD1      LEU 255  63.544   3.558   5.386
   51   3HD1  LEU 255          3HD1      LEU 255  62.981   1.940   4.972
   52   1HD2  LEU 255          1HD2      LEU 255  61.753   5.272   6.261
   53   2HD2  LEU 255          2HD2      LEU 255  62.208   4.275   7.642
   54   3HD2  LEU 255          3HD2      LEU 255  60.505   4.530   7.261
   55    H    HIS 256           H        HIS 256  58.351   2.038   3.666
   56    HA   HIS 256           HA       HIS 256  57.806   3.436   1.160
   57   1HB   HIS 256          1HB       HIS 256  57.137   0.570   1.828
   58   2HB   HIS 256          2HB       HIS 256  57.375   1.291   0.235
   59    HD2  HIS 256           HD2      HIS 256  59.680   0.663   3.430
   60    HE1  HIS 256           HE1      HIS 256  62.046   0.462  -0.060
   61    HE2  HIS 256           HE2      HIS 256  62.067   0.224   2.468
   62    H    ILE 257           H        ILE 257  55.954   1.392   3.423
   63    HA   ILE 257           HA       ILE 257  53.420   1.928   2.383
   64    HB   ILE 257           HB       ILE 257  54.458   1.003   5.029
   65   1HG1  ILE 257          1HG1      ILE 257  53.987  -0.341   2.796
   66   2HG1  ILE 257          2HG1      ILE 257  53.582  -1.045   4.359
   67   1HG2  ILE 257          1HG2      ILE 257  51.655   1.960   4.443
   68   2HG2  ILE 257          2HG2      ILE 257  52.662   2.297   5.852
   69   3HG2  ILE 257          3HG2      ILE 257  51.957   0.696   5.636
   70   1HD1  ILE 257          1HD1      ILE 257  51.565   0.603   2.841
   71   2HD1  ILE 257          2HD1      ILE 257  51.283  -0.590   4.106
   72   3HD1  ILE 257          3HD1      ILE 257  51.779  -1.111   2.497
   73    H    LEU 258           H        LEU 258  54.963   3.421   5.240
   74    HA   LEU 258           HA       LEU 258  53.120   5.233   6.021
   75   1HB   LEU 258          1HB       LEU 258  55.416   4.991   6.979
   76   2HB   LEU 258          2HB       LEU 258  56.034   5.933   5.625
   77    HG   LEU 258           HG       LEU 258  54.527   7.812   6.279
   78   1HD1  LEU 258          1HD1      LEU 258  52.740   7.016   7.498
   79   2HD1  LEU 258          2HD1      LEU 258  53.794   7.481   8.832
   80   3HD1  LEU 258          3HD1      LEU 258  53.707   5.795   8.326
   81   1HD2  LEU 258          1HD2      LEU 258  55.908   8.587   8.056
   82   2HD2  LEU 258          2HD2      LEU 258  56.930   7.488   7.130
   83   3HD2  LEU 258          3HD2      LEU 258  56.201   6.952   8.644
   84    H    VAL 259           H        VAL 259  55.084   5.453   3.103
   85    HA   VAL 259           HA       VAL 259  54.818   8.031   2.289
   86    HB   VAL 259           HB       VAL 259  54.303   5.621   0.530
   87   1HG1  VAL 259          1HG1      VAL 259  55.061   8.495  -0.021
   88   2HG1  VAL 259          2HG1      VAL 259  53.692   7.591  -0.668
   89   3HG1  VAL 259          3HG1      VAL 259  55.330   7.206  -1.194
   90   1HG2  VAL 259          1HG2      VAL 259  56.639   5.448   0.247
   91   2HG2  VAL 259          2HG2      VAL 259  56.473   5.756   1.974
   92   3HG2  VAL 259          3HG2      VAL 259  56.928   7.066   0.885
   93    H    PHE 260           H        PHE 260  52.462   5.616   1.145
   94    HA   PHE 260           HA       PHE 260  50.458   7.724   0.881
   95   1HB   PHE 260          1HB       PHE 260  49.233   6.196  -0.447
   96   2HB   PHE 260          2HB       PHE 260  50.920   5.913  -0.875
   97    HD1  PHE 260           HD1      PHE 260  52.116   3.919  -0.054
   98    HD2  PHE 260           HD2      PHE 260  47.960   4.563   0.819
   99    HE1  PHE 260           HE1      PHE 260  51.895   1.549   0.640
  100    HE2  PHE 260           HE2      PHE 260  47.739   2.192   1.512
  101    HZ   PHE 260           HZ       PHE 260  49.706   0.685   1.422
  102    H    GLY 261           H        GLY 261  50.837   4.592   2.528
  103   1HA   GLY 261          1HA       GLY 261  49.719   3.661   4.313
  104   2HA   GLY 261          2HA       GLY 261  49.648   5.311   4.927
  105    H    GLU 262           H        GLU 262  47.679   6.118   5.252
  106    HA   GLU 262           HA       GLU 262  45.365   4.712   4.150
  107   1HB   GLU 262          1HB       GLU 262  44.079   6.176   5.708
  108   2HB   GLU 262          2HB       GLU 262  45.305   5.205   6.523
  109   1HG   GLU 262          1HG       GLU 262  46.579   7.602   5.707
  110   2HG   GLU 262          2HG       GLU 262  45.047   8.070   6.440
  111    H    SER 263           H        SER 263  47.324   7.081   3.064
  112    HA   SER 263           HA       SER 263  45.873   9.281   2.348
  113   1HB   SER 263          1HB       SER 263  48.208   9.031   1.719
  114   2HB   SER 263          2HB       SER 263  47.801   7.722   0.614
  115    HG   SER 263           HG       SER 263  47.775   9.425  -0.697
  116    H    LEU 264           H        LEU 264  46.344   6.864  -0.190
  117    HA   LEU 264           HA       LEU 264  44.119   7.531  -1.692
  118   1HB   LEU 264          1HB       LEU 264  44.310   5.276  -2.698
  119   2HB   LEU 264          2HB       LEU 264  45.879   6.066  -2.543
  120    HG   LEU 264           HG       LEU 264  45.647   4.768  -0.123
  121   1HD1  LEU 264          1HD1      LEU 264  43.575   3.650  -1.173
  122   2HD1  LEU 264          2HD1      LEU 264  44.788   2.579  -0.472
  123   3HD1  LEU 264          3HD1      LEU 264  44.712   2.802  -2.220
  124   1HD2  LEU 264          1HD2      LEU 264  47.248   3.128  -1.158
  125   2HD2  LEU 264          2HD2      LEU 264  47.656   4.811  -1.493
  126   3HD2  LEU 264          3HD2      LEU 264  46.876   3.828  -2.733
  127    H    LEU 265           H        LEU 265  44.370   5.318   1.043
  128    HA   LEU 265           HA       LEU 265  41.889   4.057   0.882
  129   1HB   LEU 265          1HB       LEU 265  43.813   3.622   2.522
  130   2HB   LEU 265          2HB       LEU 265  43.124   4.926   3.490
  131    HG   LEU 265           HG       LEU 265  40.877   3.543   3.065
  132   1HD1  LEU 265          1HD1      LEU 265  42.892   1.311   3.270
  133   2HD1  LEU 265          2HD1      LEU 265  42.351   1.888   1.693
  134   3HD1  LEU 265          3HD1      LEU 265  41.185   1.222   2.836
  135   1HD2  LEU 265          1HD2      LEU 265  41.511   3.988   5.289
  136   2HD2  LEU 265          2HD2      LEU 265  43.053   3.150   5.115
  137   3HD2  LEU 265          3HD2      LEU 265  41.554   2.227   5.215
  138    H    ASN 266           H        ASN 266  42.730   7.286   1.931
  139    HA   ASN 266           HA       ASN 266  40.098   7.808   3.047
  140   1HB   ASN 266          1HB       ASN 266  42.577   9.475   2.640
  141   2HB   ASN 266          2HB       ASN 266  41.053  10.188   3.167
  142   1HD2  ASN 266          1HD2      ASN 266  43.857   8.512   4.251
  143   2HD2  ASN 266          2HD2      ASN 266  43.326   8.199   5.832
  144    H    ASP 267           H        ASP 267  42.024   9.192   0.373
  145    HA   ASP 267           HA       ASP 267  40.027  10.748  -0.774
  146   1HB   ASP 267          1HB       ASP 267  42.332  10.942  -1.490
  147   2HB   ASP 267          2HB       ASP 267  42.320   9.289  -2.100
  148    H    ALA 268           H        ALA 268  40.337   7.337  -0.666
  149    HA   ALA 268           HA       ALA 268  38.557   6.902  -2.947
  150   1HB   ALA 268          1HB       ALA 268  40.428   5.367  -2.691
  151   2HB   ALA 268          2HB       ALA 268  38.915   4.498  -2.431
  152   3HB   ALA 268          3HB       ALA 268  39.911   4.967  -1.052
  153    H    VAL 269           H        VAL 269  38.618   5.674   0.401
  154    HA   VAL 269           HA       VAL 269  36.086   4.754   0.681
  155    HB   VAL 269           HB       VAL 269  37.822   6.263   2.620
  156   1HG1  VAL 269          1HG1      VAL 269  35.015   5.219   2.975
  157   2HG1  VAL 269          2HG1      VAL 269  35.694   6.759   3.503
  158   3HG1  VAL 269          3HG1      VAL 269  36.136   5.268   4.334
  159   1HG2  VAL 269          1HG2      VAL 269  36.892   3.444   2.950
  160   2HG2  VAL 269          2HG2      VAL 269  38.454   4.163   3.340
  161   3HG2  VAL 269          3HG2      VAL 269  38.059   3.767   1.668
  162    H    THR 270           H        THR 270  37.003   8.076   0.268
  163    HA   THR 270           HA       THR 270  34.357   9.038   1.076
  164    HB   THR 270           HB       THR 270  36.308  10.324   1.805
  165    HG1  THR 270           HG1      THR 270  34.979  11.910   1.568
  166   1HG2  THR 270          1HG2      THR 270  38.022  10.885   0.436
  167   2HG2  THR 270          2HG2      THR 270  36.937  11.368  -0.868
  168   3HG2  THR 270          3HG2      THR 270  37.355   9.669  -0.654
  169    H    VAL 271           H        VAL 271  36.205   8.370  -1.808
  170    HA   VAL 271           HA       VAL 271  34.151   9.691  -3.464
  171    HB   VAL 271           HB       VAL 271  36.937   8.720  -4.112
  172   1HG1  VAL 271          1HG1      VAL 271  34.624   9.507  -5.836
  173   2HG1  VAL 271          2HG1      VAL 271  35.908   8.337  -6.146
  174   3HG1  VAL 271          3HG1      VAL 271  36.229  10.063  -6.310
  175   1HG2  VAL 271          1HG2      VAL 271  37.557  10.870  -3.777
  176   2HG2  VAL 271          2HG2      VAL 271  35.987  11.107  -3.011
  177   3HG2  VAL 271          3HG2      VAL 271  36.198  11.477  -4.722
  178    H    VAL 272           H        VAL 272  35.352   6.595  -2.520
  179    HA   VAL 272           HA       VAL 272  34.084   5.233  -4.768
  180    HB   VAL 272           HB       VAL 272  36.307   4.575  -3.534
  181   1HG1  VAL 272          1HG1      VAL 272  34.931   4.490  -1.326
  182   2HG1  VAL 272          2HG1      VAL 272  36.085   3.196  -1.641
  183   3HG1  VAL 272          3HG1      VAL 272  34.364   2.931  -1.922
  184   1HG2  VAL 272          1HG2      VAL 272  34.101   2.870  -4.624
  185   2HG2  VAL 272          2HG2      VAL 272  35.493   2.066  -3.899
  186   3HG2  VAL 272          3HG2      VAL 272  35.718   3.154  -5.269
  187    H    LEU 273           H        LEU 273  33.279   6.327  -1.658
  188    HA   LEU 273           HA       LEU 273  31.109   4.368  -1.341
  189   1HB   LEU 273          1HB       LEU 273  32.614   4.848   0.590
  190   2HB   LEU 273          2HB       LEU 273  32.059   6.518   0.565
  191    HG   LEU 273           HG       LEU 273  29.715   5.707   0.893
  192   1HD1  LEU 273          1HD1      LEU 273  31.138   3.078   0.781
  193   2HD1  LEU 273          2HD1      LEU 273  29.540   3.516   0.180
  194   3HD1  LEU 273          3HD1      LEU 273  29.789   3.239   1.904
  195   1HD2  LEU 273          1HD2      LEU 273  29.991   5.197   3.259
  196   2HD2  LEU 273          2HD2      LEU 273  31.188   6.405   2.786
  197   3HD2  LEU 273          3HD2      LEU 273  31.667   4.718   2.991
  198    H    TYR 274           H        TYR 274  31.429   7.865  -0.740
  199    HA   TYR 274           HA       TYR 274  28.711   8.472  -0.927
  200   1HB   TYR 274          1HB       TYR 274  31.225  10.077  -1.236
  201   2HB   TYR 274          2HB       TYR 274  29.653  10.826  -1.514
  202    HD1  TYR 274           HD1      TYR 274  28.387  11.612   0.300
  203    HD2  TYR 274           HD2      TYR 274  31.516   8.749   0.988
  204    HE1  TYR 274           HE1      TYR 274  28.064  11.846   2.748
  205    HE2  TYR 274           HE2      TYR 274  31.193   8.984   3.434
  206    HH   TYR 274           HH       TYR 274  29.825   9.796   5.036
  207    H    LYS 275           H        LYS 275  30.807  10.034  -3.252
  208    HA   LYS 275           HA       LYS 275  29.049  10.427  -5.271
  209   1HB   LYS 275          1HB       LYS 275  31.798   9.466  -6.007
  210   2HB   LYS 275          2HB       LYS 275  30.843  10.753  -6.734
  211   1HG   LYS 275          1HG       LYS 275  32.185  10.821  -4.012
  212   2HG   LYS 275          2HG       LYS 275  32.658  11.737  -5.436
  213   1HD   LYS 275          1HD       LYS 275  30.043  12.027  -3.922
  214   2HD   LYS 275          2HD       LYS 275  31.384  13.166  -3.915
  215   1HE   LYS 275          1HE       LYS 275  31.044  13.079  -6.545
  216   2HE   LYS 275          2HE       LYS 275  29.414  12.586  -6.090
  217   1HZ   LYS 275          1HZ       LYS 275  29.049  14.766  -5.897
  218   2HZ   LYS 275          2HZ       LYS 275  30.703  15.149  -5.828
  219   3HZ   LYS 275          3HZ       LYS 275  29.885  14.649  -4.425
  220    H    LYS 276           H        LYS 276  31.119   7.525  -5.040
  221    HA   LYS 276           HA       LYS 276  29.345   6.194  -6.978
  222   1HB   LYS 276          1HB       LYS 276  31.622   5.983  -7.609
  223   2HB   LYS 276          2HB       LYS 276  32.117   5.577  -5.968
  224   1HG   LYS 276          1HG       LYS 276  31.338   3.403  -6.119
  225   2HG   LYS 276          2HG       LYS 276  30.089   3.824  -7.292
  226   1HD   LYS 276          1HD       LYS 276  32.964   4.112  -8.089
  227   2HD   LYS 276          2HD       LYS 276  32.252   2.498  -8.056
  228   1HE   LYS 276          1HE       LYS 276  30.690   3.009  -9.720
  229   2HE   LYS 276          2HE       LYS 276  30.792   4.744  -9.421
  230   1HZ   LYS 276          1HZ       LYS 276  33.065   3.162 -10.474
  231   2HZ   LYS 276          2HZ       LYS 276  32.891   4.852 -10.445
  232   3HZ   LYS 276          3HZ       LYS 276  31.929   3.914 -11.485
  233   1HN   NH2 277          1HN       NH2 277  31.020   5.212  -3.927
  234   2HN   NH2 277          2HN       NH2 277  29.729   4.237  -3.378
  Start of MODEL    7
    1   1H    HIS 250          1H        HIS 250  61.292  -3.514   9.174
    2   2H    HIS 250          2H        HIS 250  60.581  -4.601  10.268
    3   3H    HIS 250          3H        HIS 250  62.271  -4.544  10.100
    4    HA   HIS 250           HA       HIS 250  61.956  -3.368  12.038
    5   1HB   HIS 250          1HB       HIS 250  62.711  -1.983   9.709
    6   2HB   HIS 250          2HB       HIS 250  61.616  -0.895  10.562
    7    HD2  HIS 250           HD2      HIS 250  62.475  -1.373  13.646
    8    HE1  HIS 250           HE1      HIS 250  66.447  -0.734  12.368
    9    HE2  HIS 250           HE2      HIS 250  64.914  -0.808  14.390
   10    H    ILE 251           H        ILE 251  60.480  -2.700  13.493
   11    HA   ILE 251           HA       ILE 251  57.760  -2.137  12.513
   12    HB   ILE 251           HB       ILE 251  57.307  -2.452  15.088
   13   1HG1  ILE 251          1HG1      ILE 251  58.892  -3.992  16.141
   14   2HG1  ILE 251          2HG1      ILE 251  59.901  -3.984  14.696
   15   1HG2  ILE 251          1HG2      ILE 251  56.312  -4.006  13.658
   16   2HG2  ILE 251          2HG2      ILE 251  57.405  -5.031  14.590
   17   3HG2  ILE 251          3HG2      ILE 251  57.855  -4.508  12.967
   18   1HD1  ILE 251          1HD1      ILE 251  59.232  -1.439  16.178
   19   2HD1  ILE 251          2HD1      ILE 251  60.531  -1.717  15.017
   20   3HD1  ILE 251          3HD1      ILE 251  60.616  -2.435  16.625
   21    H    ASN 252           H        ASN 252  60.257  -0.306  12.920
   22    HA   ASN 252           HA       ASN 252  59.179   1.639  14.816
   23   1HB   ASN 252          1HB       ASN 252  61.262   2.630  14.798
   24   2HB   ASN 252          2HB       ASN 252  61.703   0.973  14.393
   25   1HD2  ASN 252          1HD2      ASN 252  62.010   0.494  12.017
   26   2HD2  ASN 252          2HD2      ASN 252  62.502   1.751  10.988
   27    H    GLU 253           H        GLU 253  58.927   0.928  11.522
   28    HA   GLU 253           HA       GLU 253  58.462   3.698  10.714
   29   1HB   GLU 253          1HB       GLU 253  57.944   1.417   8.870
   30   2HB   GLU 253          2HB       GLU 253  58.692   2.982   8.546
   31   1HG   GLU 253          1HG       GLU 253  60.613   2.120  10.077
   32   2HG   GLU 253          2HG       GLU 253  59.923   0.526   9.776
   33    H    LEU 254           H        LEU 254  56.748   1.407  12.289
   34    HA   LEU 254           HA       LEU 254  54.318   1.033  11.088
   35   1HB   LEU 254          1HB       LEU 254  55.277   1.199  13.847
   36   2HB   LEU 254          2HB       LEU 254  53.582   1.655  13.677
   37    HG   LEU 254           HG       LEU 254  53.100  -0.437  12.508
   38   1HD1  LEU 254          1HD1      LEU 254  55.280  -2.072  12.810
   39   2HD1  LEU 254          2HD1      LEU 254  56.047  -0.536  12.406
   40   3HD1  LEU 254          3HD1      LEU 254  54.859  -1.242  11.312
   41   1HD2  LEU 254          1HD2      LEU 254  53.343  -0.247  15.113
   42   2HD2  LEU 254          2HD2      LEU 254  54.770  -1.256  14.874
   43   3HD2  LEU 254          3HD2      LEU 254  53.183  -1.844  14.382
   44    H    LEU 255           H        LEU 255  55.746   3.997  11.917
   45    HA   LEU 255           HA       LEU 255  53.183   5.441  11.782
   46   1HB   LEU 255          1HB       LEU 255  55.843   6.675  12.462
   47   2HB   LEU 255          2HB       LEU 255  54.226   7.238  12.883
   48    HG   LEU 255           HG       LEU 255  54.228   4.763  14.037
   49   1HD1  LEU 255          1HD1      LEU 255  57.032   5.889  14.327
   50   2HD1  LEU 255          2HD1      LEU 255  56.610   4.417  13.452
   51   3HD1  LEU 255          3HD1      LEU 255  56.385   4.499  15.199
   52   1HD2  LEU 255          1HD2      LEU 255  53.491   6.714  15.212
   53   2HD2  LEU 255          2HD2      LEU 255  55.089   7.454  15.124
   54   3HD2  LEU 255          3HD2      LEU 255  54.821   6.055  16.164
   55    H    HIS 256           H        HIS 256  56.410   5.237  10.354
   56    HA   HIS 256           HA       HIS 256  55.869   7.291   8.393
   57   1HB   HIS 256          1HB       HIS 256  58.154   5.313   8.584
   58   2HB   HIS 256          2HB       HIS 256  58.088   6.714   7.514
   59    HD2  HIS 256           HD2      HIS 256  56.562   7.979  10.650
   60    HE1  HIS 256           HE1      HIS 256  60.703   8.548  11.252
   61    HE2  HIS 256           HE2      HIS 256  58.389   9.149  12.108
   62    H    ILE 257           H        ILE 257  57.151   4.059   7.696
   63    HA   ILE 257           HA       ILE 257  56.275   3.807   5.141
   64    HB   ILE 257           HB       ILE 257  57.591   2.129   6.662
   65   1HG1  ILE 257          1HG1      ILE 257  55.699   1.270   4.451
   66   2HG1  ILE 257          2HG1      ILE 257  57.345   1.873   4.248
   67   1HG2  ILE 257          1HG2      ILE 257  54.889   0.782   6.689
   68   2HG2  ILE 257          2HG2      ILE 257  55.450   1.748   8.054
   69   3HG2  ILE 257          3HG2      ILE 257  56.352   0.318   7.555
   70   1HD1  ILE 257          1HD1      ILE 257  57.909  -0.332   4.271
   71   2HD1  ILE 257          2HD1      ILE 257  56.410  -0.806   5.070
   72   3HD1  ILE 257          3HD1      ILE 257  57.751  -0.168   6.020
   73    H    LEU 258           H        LEU 258  54.362   3.435   8.057
   74    HA   LEU 258           HA       LEU 258  52.095   2.174   7.247
   75   1HB   LEU 258          1HB       LEU 258  52.772   3.916   9.331
   76   2HB   LEU 258          2HB       LEU 258  51.365   4.652   8.571
   77    HG   LEU 258           HG       LEU 258  50.638   3.115  10.329
   78   1HD1  LEU 258          1HD1      LEU 258  49.659   3.189   7.790
   79   2HD1  LEU 258          2HD1      LEU 258  48.916   2.274   9.101
   80   3HD1  LEU 258          3HD1      LEU 258  49.989   1.465   7.960
   81   1HD2  LEU 258          1HD2      LEU 258  52.812   1.554   9.389
   82   2HD2  LEU 258          2HD2      LEU 258  51.354   0.604   9.111
   83   3HD2  LEU 258          3HD2      LEU 258  51.729   1.186  10.732
   84    H    VAL 259           H        VAL 259  53.145   5.395   6.327
   85    HA   VAL 259           HA       VAL 259  50.777   6.300   5.107
   86    HB   VAL 259           HB       VAL 259  52.248   7.853   3.876
   87   1HG1  VAL 259          1HG1      VAL 259  52.684   7.335   6.809
   88   2HG1  VAL 259          2HG1      VAL 259  51.778   8.635   6.037
   89   3HG1  VAL 259          3HG1      VAL 259  53.541   8.651   6.006
   90   1HG2  VAL 259          1HG2      VAL 259  54.774   7.316   4.957
   91   2HG2  VAL 259          2HG2      VAL 259  54.281   7.065   3.282
   92   3HG2  VAL 259          3HG2      VAL 259  54.175   5.740   4.440
   93    H    PHE 260           H        PHE 260  52.453   3.586   4.348
   94    HA   PHE 260           HA       PHE 260  52.934   3.450   1.675
   95   1HB   PHE 260          1HB       PHE 260  52.592   1.139   1.796
   96   2HB   PHE 260          2HB       PHE 260  52.925   1.569   3.473
   97    HD1  PHE 260           HD1      PHE 260  51.236   1.400   5.172
   98    HD2  PHE 260           HD2      PHE 260  50.240   0.763   1.042
   99    HE1  PHE 260           HE1      PHE 260  49.022   0.506   5.844
  100    HE2  PHE 260           HE2      PHE 260  48.027  -0.131   1.714
  101    HZ   PHE 260           HZ       PHE 260  47.418  -0.260   4.115
  102    H    GLY 261           H        GLY 261  49.897   4.055   3.187
  103   1HA   GLY 261          1HA       GLY 261  48.604   4.938   0.886
  104   2HA   GLY 261          2HA       GLY 261  48.158   3.247   1.093
  105    H    GLU 262           H        GLU 262  48.805   5.639   3.625
  106    HA   GLU 262           HA       GLU 262  46.534   4.926   5.149
  107   1HB   GLU 262          1HB       GLU 262  48.572   7.094   5.234
  108   2HB   GLU 262          2HB       GLU 262  47.082   7.344   6.144
  109   1HG   GLU 262          1HG       GLU 262  47.415   5.337   7.411
  110   2HG   GLU 262          2HG       GLU 262  48.728   4.816   6.358
  111    H    SER 263           H        SER 263  47.132   7.551   2.848
  112    HA   SER 263           HA       SER 263  44.436   8.603   3.215
  113   1HB   SER 263          1HB       SER 263  46.771   9.443   1.495
  114   2HB   SER 263          2HB       SER 263  45.191  10.213   1.402
  115    HG   SER 263           HG       SER 263  46.951  11.004   2.954
  116    H    LEU 264           H        LEU 264  46.004   6.271   1.310
  117    HA   LEU 264           HA       LEU 264  44.577   6.496  -1.124
  118   1HB   LEU 264          1HB       LEU 264  46.414   4.636   0.103
  119   2HB   LEU 264          2HB       LEU 264  45.102   3.766  -0.694
  120    HG   LEU 264           HG       LEU 264  46.695   5.988  -2.005
  121   1HD1  LEU 264          1HD1      LEU 264  46.980   2.974  -2.168
  122   2HD1  LEU 264          2HD1      LEU 264  48.190   4.124  -1.599
  123   3HD1  LEU 264          3HD1      LEU 264  47.730   4.095  -3.302
  124   1HD2  LEU 264          1HD2      LEU 264  45.428   4.071  -3.756
  125   2HD2  LEU 264          2HD2      LEU 264  45.184   5.814  -3.669
  126   3HD2  LEU 264          3HD2      LEU 264  44.234   4.740  -2.643
  127    H    LEU 265           H        LEU 265  43.734   5.220   1.996
  128    HA   LEU 265           HA       LEU 265  41.410   3.781   0.988
  129   1HB   LEU 265          1HB       LEU 265  41.037   3.156   3.304
  130   2HB   LEU 265          2HB       LEU 265  42.741   2.918   2.912
  131    HG   LEU 265           HG       LEU 265  42.666   5.553   3.761
  132   1HD1  LEU 265          1HD1      LEU 265  40.874   3.881   5.550
  133   2HD1  LEU 265          2HD1      LEU 265  40.334   5.222   4.540
  134   3HD1  LEU 265          3HD1      LEU 265  41.432   5.519   5.887
  135   1HD2  LEU 265          1HD2      LEU 265  44.373   3.879   4.331
  136   2HD2  LEU 265          2HD2      LEU 265  43.219   3.032   5.361
  137   3HD2  LEU 265          3HD2      LEU 265  43.769   4.650   5.797
  138    H    ASN 266           H        ASN 266  42.212   6.892   2.269
  139    HA   ASN 266           HA       ASN 266  39.503   7.573   3.031
  140   1HB   ASN 266          1HB       ASN 266  42.132   9.007   2.956
  141   2HB   ASN 266          2HB       ASN 266  40.640   9.939   3.074
  142   1HD2  ASN 266          1HD2      ASN 266  42.576   7.439   4.728
  143   2HD2  ASN 266          2HD2      ASN 266  41.839   7.644   6.243
  144    H    ASP 267           H        ASP 267  41.698   8.227   0.334
  145    HA   ASP 267           HA       ASP 267  39.937  10.029  -1.016
  146   1HB   ASP 267          1HB       ASP 267  42.509   8.685  -1.585
  147   2HB   ASP 267          2HB       ASP 267  41.534   9.095  -2.996
  148    H    ALA 268           H        ALA 268  40.223   6.580  -0.831
  149    HA   ALA 268           HA       ALA 268  38.570   6.151  -3.205
  150   1HB   ALA 268          1HB       ALA 268  38.802   3.692  -2.198
  151   2HB   ALA 268          2HB       ALA 268  40.177   4.430  -1.377
  152   3HB   ALA 268          3HB       ALA 268  40.096   4.434  -3.139
  153    H    VAL 269           H        VAL 269  38.310   6.294   0.254
  154    HA   VAL 269           HA       VAL 269  35.685   5.036   0.310
  155    HB   VAL 269           HB       VAL 269  37.451   6.287   2.412
  156   1HG1  VAL 269          1HG1      VAL 269  35.294   6.863   3.185
  157   2HG1  VAL 269          2HG1      VAL 269  35.621   5.320   3.974
  158   3HG1  VAL 269          3HG1      VAL 269  34.577   5.380   2.555
  159   1HG2  VAL 269          1HG2      VAL 269  37.654   3.860   1.347
  160   2HG2  VAL 269          2HG2      VAL 269  36.332   3.508   2.460
  161   3HG2  VAL 269          3HG2      VAL 269  37.872   4.104   3.079
  162    H    THR 270           H        THR 270  36.920   8.076  -0.394
  163    HA   THR 270           HA       THR 270  34.752   9.637   0.727
  164    HB   THR 270           HB       THR 270  37.134  10.234  -1.004
  165    HG1  THR 270           HG1      THR 270  36.529  11.847   1.090
  166   1HG2  THR 270          1HG2      THR 270  34.651  11.890  -0.613
  167   2HG2  THR 270          2HG2      THR 270  35.567  11.602  -2.093
  168   3HG2  THR 270          3HG2      THR 270  36.218  12.666  -0.846
  169    H    VAL 271           H        VAL 271  35.891   9.120  -2.622
  170    HA   VAL 271           HA       VAL 271  33.776  10.155  -4.013
  171    HB   VAL 271           HB       VAL 271  35.218   7.585  -4.705
  172   1HG1  VAL 271          1HG1      VAL 271  33.322   7.891  -6.148
  173   2HG1  VAL 271          2HG1      VAL 271  34.737   8.430  -7.052
  174   3HG1  VAL 271          3HG1      VAL 271  33.655   9.614  -6.319
  175   1HG2  VAL 271          1HG2      VAL 271  36.074  10.386  -4.561
  176   2HG2  VAL 271          2HG2      VAL 271  36.325   9.675  -6.156
  177   3HG2  VAL 271          3HG2      VAL 271  37.048   8.924  -4.733
  178    H    VAL 272           H        VAL 272  33.740   7.434  -1.939
  179    HA   VAL 272           HA       VAL 272  31.267   6.365  -3.091
  180    HB   VAL 272           HB       VAL 272  33.226   5.398  -1.033
  181   1HG1  VAL 272          1HG1      VAL 272  31.237   4.914   0.127
  182   2HG1  VAL 272          2HG1      VAL 272  31.516   3.445  -0.809
  183   3HG1  VAL 272          3HG1      VAL 272  30.331   4.629  -1.359
  184   1HG2  VAL 272          1HG2      VAL 272  33.441   3.549  -2.503
  185   2HG2  VAL 272          2HG2      VAL 272  33.320   4.942  -3.577
  186   3HG2  VAL 272          3HG2      VAL 272  31.916   3.909  -3.311
  187    H    LEU 273           H        LEU 273  32.443   8.149  -0.316
  188    HA   LEU 273           HA       LEU 273  29.864   7.985   1.040
  189   1HB   LEU 273          1HB       LEU 273  32.601   8.646   1.782
  190   2HB   LEU 273          2HB       LEU 273  31.444   9.820   2.409
  191    HG   LEU 273           HG       LEU 273  31.063   6.829   2.686
  192   1HD1  LEU 273          1HD1      LEU 273  31.680   7.875   5.193
  193   2HD1  LEU 273          2HD1      LEU 273  32.847   8.645   4.117
  194   3HD1  LEU 273          3HD1      LEU 273  32.744   6.886   4.193
  195   1HD2  LEU 273          1HD2      LEU 273  29.352   9.014   3.081
  196   2HD2  LEU 273          2HD2      LEU 273  29.911   8.592   4.700
  197   3HD2  LEU 273          3HD2      LEU 273  29.117   7.378   3.696
  198    H    TYR 274           H        TYR 274  31.781  10.287  -0.809
  199    HA   TYR 274           HA       TYR 274  30.261  12.598  -0.166
  200   1HB   TYR 274          1HB       TYR 274  31.786  13.634  -1.445
  201   2HB   TYR 274          2HB       TYR 274  32.550  12.058  -1.653
  202    HD1  TYR 274           HD1      TYR 274  31.519  10.519  -3.511
  203    HD2  TYR 274           HD2      TYR 274  30.989  14.778  -3.330
  204    HE1  TYR 274           HE1      TYR 274  30.955  10.551  -5.925
  205    HE2  TYR 274           HE2      TYR 274  30.423  14.810  -5.744
  206    HH   TYR 274           HH       TYR 274  31.147  12.856  -7.827
  207    H    LYS 275           H        LYS 275  29.351   9.837  -1.764
  208    HA   LYS 275           HA       LYS 275  27.701  11.016  -3.818
  209   1HB   LYS 275          1HB       LYS 275  27.491   8.228  -2.669
  210   2HB   LYS 275          2HB       LYS 275  26.952   8.785  -4.253
  211   1HG   LYS 275          1HG       LYS 275  29.574   9.505  -4.347
  212   2HG   LYS 275          2HG       LYS 275  29.675   8.068  -3.330
  213   1HD   LYS 275          1HD       LYS 275  29.855   7.185  -5.502
  214   2HD   LYS 275          2HD       LYS 275  28.145   6.970  -5.132
  215   1HE   LYS 275          1HE       LYS 275  28.102   9.481  -6.174
  216   2HE   LYS 275          2HE       LYS 275  29.442   8.783  -7.084
  217   1HZ   LYS 275          1HZ       LYS 275  27.923   7.820  -8.356
  218   2HZ   LYS 275          2HZ       LYS 275  26.654   8.287  -7.326
  219   3HZ   LYS 275          3HZ       LYS 275  27.498   6.841  -7.036
  220    H    LYS 276           H        LYS 276  27.427  10.412  -0.454
  221    HA   LYS 276           HA       LYS 276  24.612  11.261  -0.537
  222   1HB   LYS 276          1HB       LYS 276  24.176   9.643   1.368
  223   2HB   LYS 276          2HB       LYS 276  24.401   8.908  -0.218
  224   1HG   LYS 276          1HG       LYS 276  26.973   9.182   1.042
  225   2HG   LYS 276          2HG       LYS 276  25.870   8.388   2.164
  226   1HD   LYS 276          1HD       LYS 276  25.227   6.795   0.356
  227   2HD   LYS 276          2HD       LYS 276  26.432   7.545  -0.692
  228   1HE   LYS 276          1HE       LYS 276  27.924   6.090   0.173
  229   2HE   LYS 276          2HE       LYS 276  27.821   7.017   1.669
  230   1HZ   LYS 276          1HZ       LYS 276  27.250   4.941   2.393
  231   2HZ   LYS 276          2HZ       LYS 276  26.487   4.508   0.939
  232   3HZ   LYS 276          3HZ       LYS 276  25.714   5.559   2.028
  233   1HN   NH2 277          1HN       NH2 277  25.837  10.238   2.523
  234   2HN   NH2 277          2HN       NH2 277  26.225  11.787   3.121
  Start of MODEL    8
    1   1H    HIS 250          1H        HIS 250  42.854  -4.301   2.355
    2   2H    HIS 250          2H        HIS 250  42.418  -5.380   1.116
    3   3H    HIS 250          3H        HIS 250  43.302  -5.935   2.457
    4    HA   HIS 250           HA       HIS 250  41.505  -5.839   3.880
    5   1HB   HIS 250          1HB       HIS 250  40.989  -3.458   2.757
    6   2HB   HIS 250          2HB       HIS 250  39.733  -4.404   1.957
    7    HD2  HIS 250           HD2      HIS 250  39.446  -6.322   4.891
    8    HE1  HIS 250           HE1      HIS 250  37.769  -2.696   6.256
    9    HE2  HIS 250           HE2      HIS 250  37.991  -5.180   6.734
   10    H    ILE 251           H        ILE 251  42.330  -7.742   2.047
   11    HA   ILE 251           HA       ILE 251  41.630  -9.692   1.070
   12    HB   ILE 251           HB       ILE 251  38.826  -8.996   1.944
   13   1HG1  ILE 251          1HG1      ILE 251  40.189  -8.648   3.903
   14   2HG1  ILE 251          2HG1      ILE 251  39.459 -10.244   4.062
   15   1HG2  ILE 251          1HG2      ILE 251  40.342 -11.592   1.549
   16   2HG2  ILE 251          2HG2      ILE 251  39.050 -10.967   0.524
   17   3HG2  ILE 251          3HG2      ILE 251  38.698 -11.474   2.176
   18   1HD1  ILE 251          1HD1      ILE 251  41.615 -11.130   2.945
   19   2HD1  ILE 251          2HD1      ILE 251  41.732 -10.591   4.620
   20   3HD1  ILE 251          3HD1      ILE 251  42.299  -9.547   3.316
   21    H    ASN 252           H        ASN 252  39.507  -6.910   0.455
   22    HA   ASN 252           HA       ASN 252  38.863  -7.945  -2.204
   23   1HB   ASN 252          1HB       ASN 252  37.984  -5.374  -0.871
   24   2HB   ASN 252          2HB       ASN 252  37.320  -6.073  -2.346
   25   1HD2  ASN 252          1HD2      ASN 252  37.775  -6.831   1.143
   26   2HD2  ASN 252          2HD2      ASN 252  36.391  -7.807   1.260
   27    H    GLU 253           H        GLU 253  40.062  -4.847  -0.886
   28    HA   GLU 253           HA       GLU 253  41.262  -4.200  -3.467
   29   1HB   GLU 253          1HB       GLU 253  41.219  -2.608  -0.892
   30   2HB   GLU 253          2HB       GLU 253  41.707  -2.015  -2.480
   31   1HG   GLU 253          1HG       GLU 253  38.954  -3.090  -1.802
   32   2HG   GLU 253          2HG       GLU 253  39.368  -1.380  -1.920
   33    H    LEU 254           H        LEU 254  42.204  -6.183  -1.161
   34    HA   LEU 254           HA       LEU 254  44.595  -5.504  -0.073
   35   1HB   LEU 254          1HB       LEU 254  45.194  -7.818  -0.064
   36   2HB   LEU 254          2HB       LEU 254  43.442  -7.739   0.090
   37    HG   LEU 254           HG       LEU 254  44.997  -8.330  -2.454
   38   1HD1  LEU 254          1HD1      LEU 254  44.337 -10.011  -0.376
   39   2HD1  LEU 254          2HD1      LEU 254  44.605 -10.520  -2.044
   40   3HD1  LEU 254          3HD1      LEU 254  42.967 -10.210  -1.468
   41   1HD2  LEU 254          1HD2      LEU 254  42.079  -7.797  -1.909
   42   2HD2  LEU 254          2HD2      LEU 254  42.561  -8.854  -3.232
   43   3HD2  LEU 254          3HD2      LEU 254  43.086  -7.173  -3.213
   44    H    LEU 255           H        LEU 255  43.926  -5.592  -3.421
   45    HA   LEU 255           HA       LEU 255  46.758  -5.801  -4.148
   46   1HB   LEU 255          1HB       LEU 255  45.057  -7.057  -5.464
   47   2HB   LEU 255          2HB       LEU 255  44.322  -5.525  -5.925
   48    HG   LEU 255           HG       LEU 255  46.477  -4.825  -6.960
   49   1HD1  LEU 255          1HD1      LEU 255  47.318  -7.465  -5.833
   50   2HD1  LEU 255          2HD1      LEU 255  48.229  -5.961  -5.969
   51   3HD1  LEU 255          3HD1      LEU 255  47.994  -6.981  -7.388
   52   1HD2  LEU 255          1HD2      LEU 255  45.022  -7.303  -7.827
   53   2HD2  LEU 255          2HD2      LEU 255  46.428  -6.765  -8.747
   54   3HD2  LEU 255          3HD2      LEU 255  45.033  -5.701  -8.563
   55    H    HIS 256           H        HIS 256  44.075  -3.512  -4.139
   56    HA   HIS 256           HA       HIS 256  45.737  -1.426  -5.339
   57   1HB   HIS 256          1HB       HIS 256  42.835  -1.596  -4.543
   58   2HB   HIS 256          2HB       HIS 256  43.587  -0.066  -4.997
   59    HD2  HIS 256           HD2      HIS 256  43.157  -3.648  -6.702
   60    HE1  HIS 256           HE1      HIS 256  43.368  -0.689  -9.706
   61    HE2  HIS 256           HE2      HIS 256  43.046  -3.169  -9.267
   62    H    ILE 257           H        ILE 257  43.444  -1.104  -2.660
   63    HA   ILE 257           HA       ILE 257  44.535   0.968  -1.324
   64    HB   ILE 257           HB       ILE 257  42.470  -0.479  -0.740
   65   1HG1  ILE 257          1HG1      ILE 257  42.923   0.169   1.800
   66   2HG1  ILE 257          2HG1      ILE 257  44.314   0.997   1.100
   67   1HG2  ILE 257          1HG2      ILE 257  44.055  -2.491  -0.315
   68   2HG2  ILE 257          2HG2      ILE 257  42.751  -2.211   0.839
   69   3HG2  ILE 257          3HG2      ILE 257  44.395  -1.710   1.230
   70   1HD1  ILE 257          1HD1      ILE 257  42.485   1.864  -0.628
   71   2HD1  ILE 257          2HD1      ILE 257  42.732   2.675   0.919
   72   3HD1  ILE 257          3HD1      ILE 257  41.396   1.539   0.721
   73    H    LEU 258           H        LEU 258  45.752  -2.329  -1.310
   74    HA   LEU 258           HA       LEU 258  47.560  -2.033   0.857
   75   1HB   LEU 258          1HB       LEU 258  46.821  -4.217  -0.105
   76   2HB   LEU 258          2HB       LEU 258  47.821  -3.885  -1.519
   77    HG   LEU 258           HG       LEU 258  49.446  -3.418   0.761
   78   1HD1  LEU 258          1HD1      LEU 258  47.928  -6.042   0.865
   79   2HD1  LEU 258          2HD1      LEU 258  47.885  -4.763   2.078
   80   3HD1  LEU 258          3HD1      LEU 258  49.369  -5.677   1.813
   81   1HD2  LEU 258          1HD2      LEU 258  50.709  -5.354  -0.186
   82   2HD2  LEU 258          2HD2      LEU 258  50.244  -4.183  -1.421
   83   3HD2  LEU 258          3HD2      LEU 258  49.342  -5.689  -1.250
   84    H    VAL 259           H        VAL 259  47.789  -1.330  -2.584
   85    HA   VAL 259           HA       VAL 259  50.557  -1.043  -2.836
   86    HB   VAL 259           HB       VAL 259  48.317   0.465  -4.206
   87   1HG1  VAL 259          1HG1      VAL 259  51.298   0.374  -4.683
   88   2HG1  VAL 259          2HG1      VAL 259  50.257   1.790  -4.545
   89   3HG1  VAL 259          3HG1      VAL 259  50.166   0.764  -5.977
   90   1HG2  VAL 259          1HG2      VAL 259  48.112  -1.363  -5.519
   91   2HG2  VAL 259          2HG2      VAL 259  49.097  -2.219  -4.332
   92   3HG2  VAL 259          3HG2      VAL 259  49.858  -1.478  -5.740
   93    H    PHE 260           H        PHE 260  48.568   1.875  -2.981
   94    HA   PHE 260           HA       PHE 260  50.607   3.479  -1.820
   95   1HB   PHE 260          1HB       PHE 260  48.645   5.170  -1.661
   96   2HB   PHE 260          2HB       PHE 260  49.174   4.645  -3.259
   97    HD1  PHE 260           HD1      PHE 260  46.521   4.441  -0.731
   98    HD2  PHE 260           HD2      PHE 260  47.847   3.043  -4.570
   99    HE1  PHE 260           HE1      PHE 260  44.245   3.574  -1.201
  100    HE2  PHE 260           HE2      PHE 260  45.572   2.175  -5.039
  101    HZ   PHE 260           HZ       PHE 260  43.770   2.440  -3.356
  102    H    GLY 261           H        GLY 261  48.420   1.350  -0.431
  103   1HA   GLY 261          1HA       GLY 261  48.117   0.811   1.803
  104   2HA   GLY 261          2HA       GLY 261  49.138   2.179   2.233
  105    H    GLU 262           H        GLU 262  47.812   2.992   3.834
  106    HA   GLU 262           HA       GLU 262  45.031   3.624   3.213
  107   1HB   GLU 262          1HB       GLU 262  44.732   3.976   5.507
  108   2HB   GLU 262          2HB       GLU 262  45.943   2.694   5.463
  109   1HG   GLU 262          1HG       GLU 262  47.642   4.710   5.440
  110   2HG   GLU 262          2HG       GLU 262  46.285   5.598   6.130
  111    H    SER 263           H        SER 263  47.870   5.031   2.508
  112    HA   SER 263           HA       SER 263  47.751   7.670   3.369
  113   1HB   SER 263          1HB       SER 263  49.470   6.354   1.830
  114   2HB   SER 263          2HB       SER 263  48.548   7.126   0.544
  115    HG   SER 263           HG       SER 263  49.093   9.093   1.332
  116    H    LEU 264           H        LEU 264  46.132   6.126   0.616
  117    HA   LEU 264           HA       LEU 264  44.762   8.633  -0.034
  118   1HB   LEU 264          1HB       LEU 264  44.511   5.965  -1.427
  119   2HB   LEU 264          2HB       LEU 264  44.058   7.551  -2.050
  120    HG   LEU 264           HG       LEU 264  46.877   6.676  -1.355
  121   1HD1  LEU 264          1HD1      LEU 264  45.635   5.764  -3.478
  122   2HD1  LEU 264          2HD1      LEU 264  47.268   6.407  -3.646
  123   3HD1  LEU 264          3HD1      LEU 264  45.880   7.397  -4.099
  124   1HD2  LEU 264          1HD2      LEU 264  46.866   8.995  -1.018
  125   2HD2  LEU 264          2HD2      LEU 264  45.641   9.268  -2.257
  126   3HD2  LEU 264          3HD2      LEU 264  47.296   8.878  -2.724
  127    H    LEU 265           H        LEU 265  44.285   6.250   2.151
  128    HA   LEU 265           HA       LEU 265  41.805   5.172   1.967
  129   1HB   LEU 265          1HB       LEU 265  43.337   5.043   3.958
  130   2HB   LEU 265          2HB       LEU 265  42.743   6.626   4.448
  131    HG   LEU 265           HG       LEU 265  40.395   5.275   3.990
  132   1HD1  LEU 265          1HD1      LEU 265  42.343   3.324   5.256
  133   2HD1  LEU 265          2HD1      LEU 265  41.672   3.167   3.632
  134   3HD1  LEU 265          3HD1      LEU 265  40.611   3.075   5.037
  135   1HD2  LEU 265          1HD2      LEU 265  40.282   5.104   6.469
  136   2HD2  LEU 265          2HD2      LEU 265  40.916   6.665   5.946
  137   3HD2  LEU 265          3HD2      LEU 265  42.015   5.425   6.553
  138    H    ASN 266           H        ASN 266  42.404   8.446   3.251
  139    HA   ASN 266           HA       ASN 266  39.859   9.322   3.675
  140   1HB   ASN 266          1HB       ASN 266  41.896  11.024   2.235
  141   2HB   ASN 266          2HB       ASN 266  40.636  11.552   3.349
  142   1HD2  ASN 266          1HD2      ASN 266  43.902  10.379   3.136
  143   2HD2  ASN 266          2HD2      ASN 266  44.200  10.306   4.805
  144    H    ASP 267           H        ASP 267  41.536   9.197   0.548
  145    HA   ASP 267           HA       ASP 267  39.116  10.071  -0.841
  146   1HB   ASP 267          1HB       ASP 267  41.925   9.467  -1.776
  147   2HB   ASP 267          2HB       ASP 267  40.606   9.874  -2.873
  148    H    ALA 268           H        ALA 268  40.489   7.186   0.214
  149    HA   ALA 268           HA       ALA 268  39.415   5.581  -1.988
  150   1HB   ALA 268          1HB       ALA 268  40.463   4.147   0.340
  151   2HB   ALA 268          2HB       ALA 268  41.625   5.269  -0.370
  152   3HB   ALA 268          3HB       ALA 268  40.899   4.004  -1.363
  153    H    VAL 269           H        VAL 269  38.799   6.363   1.374
  154    HA   VAL 269           HA       VAL 269  37.026   4.391   2.135
  155    HB   VAL 269           HB       VAL 269  37.881   6.429   3.457
  156   1HG1  VAL 269          1HG1      VAL 269  36.667   7.920   1.620
  157   2HG1  VAL 269          2HG1      VAL 269  36.760   8.450   3.300
  158   3HG1  VAL 269          3HG1      VAL 269  35.282   7.703   2.691
  159   1HG2  VAL 269          1HG2      VAL 269  35.295   5.000   3.597
  160   2HG2  VAL 269          2HG2      VAL 269  35.370   6.485   4.545
  161   3HG2  VAL 269          3HG2      VAL 269  36.539   5.195   4.831
  162    H    THR 270           H        THR 270  36.639   6.767  -0.317
  163    HA   THR 270           HA       THR 270  33.737   6.617  -0.361
  164    HB   THR 270           HB       THR 270  34.783   8.720  -0.988
  165    HG1  THR 270           HG1      THR 270  33.437   8.997  -2.587
  166   1HG2  THR 270          1HG2      THR 270  35.911   7.955  -3.529
  167   2HG2  THR 270          2HG2      THR 270  36.668   7.026  -2.236
  168   3HG2  THR 270          3HG2      THR 270  36.685   8.789  -2.182
  169    H    VAL 271           H        VAL 271  36.090   4.524  -1.197
  170    HA   VAL 271           HA       VAL 271  34.544   3.428  -3.472
  171    HB   VAL 271           HB       VAL 271  37.520   3.312  -2.945
  172   1HG1  VAL 271          1HG1      VAL 271  37.460   2.113  -5.224
  173   2HG1  VAL 271          2HG1      VAL 271  35.746   1.850  -4.904
  174   3HG1  VAL 271          3HG1      VAL 271  36.959   1.176  -3.816
  175   1HG2  VAL 271          1HG2      VAL 271  35.998   4.389  -5.333
  176   2HG2  VAL 271          2HG2      VAL 271  37.711   4.598  -4.967
  177   3HG2  VAL 271          3HG2      VAL 271  36.494   5.403  -3.977
  178    H    VAL 272           H        VAL 272  37.084   2.226  -1.275
  179    HA   VAL 272           HA       VAL 272  36.379  -0.407  -1.150
  180    HB   VAL 272           HB       VAL 272  37.541  -0.545   0.922
  181   1HG1  VAL 272          1HG1      VAL 272  38.931   1.900   0.081
  182   2HG1  VAL 272          2HG1      VAL 272  38.566   0.813  -1.258
  183   3HG1  VAL 272          3HG1      VAL 272  39.510   0.235   0.114
  184   1HG2  VAL 272          1HG2      VAL 272  36.630   0.898   2.463
  185   2HG2  VAL 272          2HG2      VAL 272  36.421   2.191   1.282
  186   3HG2  VAL 272          3HG2      VAL 272  38.008   1.890   1.989
  187    H    LEU 273           H        LEU 273  34.545   2.250  -0.003
  188    HA   LEU 273           HA       LEU 273  33.089   1.145   2.103
  189   1HB   LEU 273          1HB       LEU 273  32.991   3.494   0.603
  190   2HB   LEU 273          2HB       LEU 273  31.426   2.740   0.317
  191    HG   LEU 273           HG       LEU 273  31.261   4.170   2.276
  192   1HD1  LEU 273          1HD1      LEU 273  31.418   1.579   3.683
  193   2HD1  LEU 273          2HD1      LEU 273  30.479   1.553   2.190
  194   3HD1  LEU 273          3HD1      LEU 273  30.050   2.673   3.482
  195   1HD2  LEU 273          1HD2      LEU 273  33.014   4.456   3.657
  196   2HD2  LEU 273          2HD2      LEU 273  33.916   3.249   2.742
  197   3HD2  LEU 273          3HD2      LEU 273  32.942   2.759   4.128
  198    H    TYR 274           H        TYR 274  31.882   1.427  -1.243
  199    HA   TYR 274           HA       TYR 274  30.087  -0.829  -0.766
  200   1HB   TYR 274          1HB       TYR 274  29.416  -0.207  -3.207
  201   2HB   TYR 274          2HB       TYR 274  28.959   0.877  -1.894
  202    HD1  TYR 274           HD1      TYR 274  30.034   3.037  -1.603
  203    HD2  TYR 274           HD2      TYR 274  31.275   0.356  -4.721
  204    HE1  TYR 274           HE1      TYR 274  31.318   4.870  -2.668
  205    HE2  TYR 274           HE2      TYR 274  32.560   2.189  -5.786
  206    HH   TYR 274           HH       TYR 274  32.541   5.482  -4.417
  207    H    LYS 275           H        LYS 275  32.785   0.080  -2.875
  208    HA   LYS 275           HA       LYS 275  32.936  -1.976  -4.649
  209   1HB   LYS 275          1HB       LYS 275  34.642  -0.007  -3.928
  210   2HB   LYS 275          2HB       LYS 275  35.491  -1.401  -3.260
  211   1HG   LYS 275          1HG       LYS 275  36.318  -1.304  -5.456
  212   2HG   LYS 275          2HG       LYS 275  35.026  -2.499  -5.580
  213   1HD   LYS 275          1HD       LYS 275  33.622  -0.206  -6.023
  214   2HD   LYS 275          2HD       LYS 275  35.186   0.232  -6.712
  215   1HE   LYS 275          1HE       LYS 275  35.081  -2.067  -7.899
  216   2HE   LYS 275          2HE       LYS 275  33.366  -2.045  -7.488
  217   1HZ   LYS 275          1HZ       LYS 275  33.643  -1.096  -9.643
  218   2HZ   LYS 275          2HZ       LYS 275  34.844  -0.030  -9.089
  219   3HZ   LYS 275          3HZ       LYS 275  33.236   0.157  -8.575
  220    H    LYS 276           H        LYS 276  33.267  -2.183  -1.215
  221    HA   LYS 276           HA       LYS 276  34.258  -4.952  -1.397
  222   1HB   LYS 276          1HB       LYS 276  35.522  -3.523   0.113
  223   2HB   LYS 276          2HB       LYS 276  34.044  -3.069   0.963
  224   1HG   LYS 276          1HG       LYS 276  33.783  -5.195   1.918
  225   2HG   LYS 276          2HG       LYS 276  34.802  -5.969   0.703
  226   1HD   LYS 276          1HD       LYS 276  35.915  -5.735   2.944
  227   2HD   LYS 276          2HD       LYS 276  36.792  -4.944   1.633
  228   1HE   LYS 276          1HE       LYS 276  36.509  -3.579   3.781
  229   2HE   LYS 276          2HE       LYS 276  36.023  -2.784   2.284
  230   1HZ   LYS 276          1HZ       LYS 276  33.742  -3.379   2.722
  231   2HZ   LYS 276          2HZ       LYS 276  34.372  -2.528   4.051
  232   3HZ   LYS 276          3HZ       LYS 276  34.188  -4.215   4.129
  233   1HN   NH2 277          1HN       NH2 277  31.946  -3.296   0.826
  234   2HN   NH2 277          2HN       NH2 277  30.771  -4.533   0.745
  Start of MODEL    9
    1   1H    HIS 250          1H        HIS 250  36.278  -6.362 -12.147
    2   2H    HIS 250          2H        HIS 250  34.949  -6.837 -11.201
    3   3H    HIS 250          3H        HIS 250  36.266  -7.890 -11.410
    4    HA   HIS 250           HA       HIS 250  37.164  -5.416 -10.371
    5   1HB   HIS 250          1HB       HIS 250  34.759  -6.695  -9.126
    6   2HB   HIS 250          2HB       HIS 250  36.003  -6.034  -8.065
    7    HD2  HIS 250           HD2      HIS 250  34.914  -4.294 -11.455
    8    HE1  HIS 250           HE1      HIS 250  33.966  -1.724  -8.242
    9    HE2  HIS 250           HE2      HIS 250  34.028  -1.935 -10.772
   10    H    ILE 251           H        ILE 251  38.905  -6.970 -11.021
   11    HA   ILE 251           HA       ILE 251  39.342  -9.108  -9.040
   12    HB   ILE 251           HB       ILE 251  41.019  -8.635 -11.495
   13   1HG1  ILE 251          1HG1      ILE 251  39.291 -10.619 -12.231
   14   2HG1  ILE 251          2HG1      ILE 251  38.217  -9.572 -11.300
   15   1HG2  ILE 251          1HG2      ILE 251  41.866 -10.705 -11.041
   16   2HG2  ILE 251          2HG2      ILE 251  40.307 -11.334 -10.502
   17   3HG2  ILE 251          3HG2      ILE 251  41.293 -10.362  -9.408
   18   1HD1  ILE 251          1HD1      ILE 251  38.089  -8.688 -13.483
   19   2HD1  ILE 251          2HD1      ILE 251  39.817  -8.903 -13.766
   20   3HD1  ILE 251          3HD1      ILE 251  39.254  -7.635 -12.677
   21    H    ASN 252           H        ASN 252  42.267  -8.805 -10.073
   22    HA   ASN 252           HA       ASN 252  43.204  -7.346  -7.790
   23   1HB   ASN 252          1HB       ASN 252  44.860  -8.188 -10.167
   24   2HB   ASN 252          2HB       ASN 252  45.386  -7.962  -8.499
   25   1HD2  ASN 252          1HD2      ASN 252  43.080  -9.348  -7.298
   26   2HD2  ASN 252          2HD2      ASN 252  43.272 -10.997  -7.647
   27    H    GLU 253           H        GLU 253  42.813  -6.660 -11.210
   28    HA   GLU 253           HA       GLU 253  44.350  -4.460 -11.659
   29   1HB   GLU 253          1HB       GLU 253  41.690  -3.856 -12.592
   30   2HB   GLU 253          2HB       GLU 253  43.113  -4.320 -13.523
   31   1HG   GLU 253          1HG       GLU 253  41.278  -6.269 -12.092
   32   2HG   GLU 253          2HG       GLU 253  41.213  -5.907 -13.815
   33    H    LEU 254           H        LEU 254  41.452  -4.654  -9.691
   34    HA   LEU 254           HA       LEU 254  41.028  -1.886  -9.316
   35   1HB   LEU 254          1HB       LEU 254  39.980  -4.353  -8.266
   36   2HB   LEU 254          2HB       LEU 254  40.264  -3.216  -6.947
   37    HG   LEU 254           HG       LEU 254  38.775  -2.520  -9.493
   38   1HD1  LEU 254          1HD1      LEU 254  37.419  -4.110  -8.324
   39   2HD1  LEU 254          2HD1      LEU 254  36.779  -2.520  -7.906
   40   3HD1  LEU 254          3HD1      LEU 254  37.803  -3.387  -6.762
   41   1HD2  LEU 254          1HD2      LEU 254  38.208  -0.905  -7.169
   42   2HD2  LEU 254          2HD2      LEU 254  38.860  -0.400  -8.728
   43   3HD2  LEU 254          3HD2      LEU 254  39.948  -0.943  -7.451
   44    H    LEU 255           H        LEU 255  43.722  -3.583  -8.605
   45    HA   LEU 255           HA       LEU 255  44.432  -2.988  -5.992
   46   1HB   LEU 255          1HB       LEU 255  46.784  -3.071  -6.785
   47   2HB   LEU 255          2HB       LEU 255  45.818  -4.406  -7.406
   48    HG   LEU 255           HG       LEU 255  45.435  -2.523  -9.360
   49   1HD1  LEU 255          1HD1      LEU 255  47.418  -1.329  -9.804
   50   2HD1  LEU 255          2HD1      LEU 255  48.375  -2.336  -8.718
   51   3HD1  LEU 255          3HD1      LEU 255  47.239  -1.162  -8.058
   52   1HD2  LEU 255          1HD2      LEU 255  47.470  -4.729  -9.030
   53   2HD2  LEU 255          2HD2      LEU 255  47.354  -3.814 -10.533
   54   3HD2  LEU 255          3HD2      LEU 255  45.972  -4.747  -9.962
   55    H    HIS 256           H        HIS 256  43.729  -0.833  -8.489
   56    HA   HIS 256           HA       HIS 256  45.395   1.306  -8.299
   57   1HB   HIS 256          1HB       HIS 256  42.372   1.298  -8.365
   58   2HB   HIS 256          2HB       HIS 256  43.347   2.751  -8.587
   59    HD2  HIS 256           HD2      HIS 256  45.268  -0.001 -10.259
   60    HE1  HIS 256           HE1      HIS 256  42.715   1.489 -13.274
   61    HE2  HIS 256           HE2      HIS 256  44.742   0.029 -12.818
   62    H    ILE 257           H        ILE 257  43.292   0.073  -5.822
   63    HA   ILE 257           HA       ILE 257  43.662   2.435  -4.144
   64    HB   ILE 257           HB       ILE 257  41.456   1.276  -4.243
   65   1HG1  ILE 257          1HG1      ILE 257  41.921   0.746  -1.479
   66   2HG1  ILE 257          2HG1      ILE 257  42.948   2.105  -1.937
   67   1HG2  ILE 257          1HG2      ILE 257  42.700  -1.028  -4.344
   68   2HG2  ILE 257          2HG2      ILE 257  41.164  -0.919  -3.484
   69   3HG2  ILE 257          3HG2      ILE 257  42.680  -0.913  -2.584
   70   1HD1  ILE 257          1HD1      ILE 257  40.778   2.962  -1.244
   71   2HD1  ILE 257          2HD1      ILE 257  39.955   1.880  -2.368
   72   3HD1  ILE 257          3HD1      ILE 257  40.954   3.198  -2.982
   73    H    LEU 258           H        LEU 258  44.776  -0.874  -4.445
   74    HA   LEU 258           HA       LEU 258  45.912  -1.258  -1.922
   75   1HB   LEU 258          1HB       LEU 258  46.227  -2.418  -4.603
   76   2HB   LEU 258          2HB       LEU 258  47.675  -2.529  -3.608
   77    HG   LEU 258           HG       LEU 258  46.113  -4.489  -3.362
   78   1HD1  LEU 258          1HD1      LEU 258  47.414  -2.952  -1.334
   79   2HD1  LEU 258          2HD1      LEU 258  47.087  -4.684  -1.347
   80   3HD1  LEU 258          3HD1      LEU 258  45.905  -3.571  -0.662
   81   1HD2  LEU 258          1HD2      LEU 258  44.145  -2.583  -3.346
   82   2HD2  LEU 258          2HD2      LEU 258  44.300  -2.935  -1.625
   83   3HD2  LEU 258          3HD2      LEU 258  43.933  -4.233  -2.762
   84    H    VAL 259           H        VAL 259  47.046   0.585  -4.680
   85    HA   VAL 259           HA       VAL 259  49.720   0.909  -4.212
   86    HB   VAL 259           HB       VAL 259  47.891   3.232  -4.833
   87   1HG1  VAL 259          1HG1      VAL 259  49.775   4.302  -5.507
   88   2HG1  VAL 259          2HG1      VAL 259  50.423   2.855  -6.280
   89   3HG1  VAL 259          3HG1      VAL 259  50.630   3.096  -4.546
   90   1HG2  VAL 259          1HG2      VAL 259  48.304   0.730  -6.266
   91   2HG2  VAL 259          2HG2      VAL 259  48.821   2.115  -7.227
   92   3HG2  VAL 259          3HG2      VAL 259  47.171   2.038  -6.610
   93    H    PHE 260           H        PHE 260  47.498   3.445  -3.079
   94    HA   PHE 260           HA       PHE 260  49.318   4.208  -0.987
   95   1HB   PHE 260          1HB       PHE 260  47.006   5.513  -0.384
   96   2HB   PHE 260          2HB       PHE 260  48.194   6.096  -1.549
   97    HD1  PHE 260           HD1      PHE 260  44.853   4.749  -1.082
   98    HD2  PHE 260           HD2      PHE 260  47.899   5.583  -3.992
   99    HE1  PHE 260           HE1      PHE 260  43.173   4.557  -2.895
  100    HE2  PHE 260           HE2      PHE 260  46.219   5.390  -5.806
  101    HZ   PHE 260           HZ       PHE 260  43.856   4.878  -5.258
  102    H    GLY 261           H        GLY 261  45.875   3.297  -0.774
  103   1HA   GLY 261          1HA       GLY 261  44.724   2.043   0.772
  104   2HA   GLY 261          2HA       GLY 261  46.243   1.222   1.114
  105    H    GLU 262           H        GLU 262  47.856   2.787   2.331
  106    HA   GLU 262           HA       GLU 262  46.444   3.608   4.753
  107   1HB   GLU 262          1HB       GLU 262  48.678   3.713   5.757
  108   2HB   GLU 262          2HB       GLU 262  48.440   2.168   4.940
  109   1HG   GLU 262          1HG       GLU 262  49.580   3.150   2.919
  110   2HG   GLU 262          2HG       GLU 262  49.965   4.566   3.895
  111    H    SER 263           H        SER 263  47.278   5.082   1.927
  112    HA   SER 263           HA       SER 263  48.055   7.631   3.162
  113   1HB   SER 263          1HB       SER 263  48.827   6.390   0.802
  114   2HB   SER 263          2HB       SER 263  47.717   7.650   0.268
  115    HG   SER 263           HG       SER 263  48.963   9.161   1.312
  116    H    LEU 264           H        LEU 264  45.727   6.511   0.696
  117    HA   LEU 264           HA       LEU 264  44.057   8.856   1.193
  118   1HB   LEU 264          1HB       LEU 264  43.475   6.620  -0.742
  119   2HB   LEU 264          2HB       LEU 264  42.911   8.291  -0.796
  120    HG   LEU 264           HG       LEU 264  45.773   7.357  -1.163
  121   1HD1  LEU 264          1HD1      LEU 264  43.718   7.353  -2.988
  122   2HD1  LEU 264          2HD1      LEU 264  45.425   7.504  -3.403
  123   3HD1  LEU 264          3HD1      LEU 264  44.424   8.948  -3.244
  124   1HD2  LEU 264          1HD2      LEU 264  45.977   9.460  -0.132
  125   2HD2  LEU 264          2HD2      LEU 264  44.500  10.072  -0.876
  126   3HD2  LEU 264          3HD2      LEU 264  45.959   9.877  -1.846
  127    H    LEU 265           H        LEU 265  44.411   6.212   2.900
  128    HA   LEU 265           HA       LEU 265  42.216   4.667   3.096
  129   1HB   LEU 265          1HB       LEU 265  42.624   4.418   5.429
  130   2HB   LEU 265          2HB       LEU 265  44.188   4.740   4.687
  131    HG   LEU 265           HG       LEU 265  43.330   7.286   5.238
  132   1HD1  LEU 265          1HD1      LEU 265  42.609   5.711   7.705
  133   2HD1  LEU 265          2HD1      LEU 265  41.382   6.082   6.496
  134   3HD1  LEU 265          3HD1      LEU 265  42.232   7.389   7.319
  135   1HD2  LEU 265          1HD2      LEU 265  44.984   5.311   6.812
  136   2HD2  LEU 265          2HD2      LEU 265  44.799   6.983   7.342
  137   3HD2  LEU 265          3HD2      LEU 265  45.534   6.631   5.780
  138    H    ASN 266           H        ASN 266  42.287   8.094   3.626
  139    HA   ASN 266           HA       ASN 266  39.710   8.189   4.949
  140   1HB   ASN 266          1HB       ASN 266  41.612  10.280   3.901
  141   2HB   ASN 266          2HB       ASN 266  40.010  10.698   4.509
  142   1HD2  ASN 266          1HD2      ASN 266  43.220   9.592   5.447
  143   2HD2  ASN 266          2HD2      ASN 266  42.955   9.673   7.123
  144    H    ASP 267           H        ASP 267  40.999   9.183   1.776
  145    HA   ASP 267           HA       ASP 267  38.366   9.756   0.740
  146   1HB   ASP 267          1HB       ASP 267  39.762  11.060  -0.472
  147   2HB   ASP 267          2HB       ASP 267  41.150  10.016  -0.172
  148    H    ALA 268           H        ALA 268  40.174   6.953   1.219
  149    HA   ALA 268           HA       ALA 268  39.876   5.309  -0.919
  150   1HB   ALA 268          1HB       ALA 268  39.258   4.637   1.967
  151   2HB   ALA 268          2HB       ALA 268  40.827   4.517   1.172
  152   3HB   ALA 268          3HB       ALA 268  39.511   3.446   0.693
  153    H    VAL 269           H        VAL 269  37.329   6.676   1.007
  154    HA   VAL 269           HA       VAL 269  35.215   4.938   0.425
  155    HB   VAL 269           HB       VAL 269  35.349   7.060   1.965
  156   1HG1  VAL 269          1HG1      VAL 269  34.592   9.085   1.037
  157   2HG1  VAL 269          2HG1      VAL 269  33.965   8.296  -0.410
  158   3HG1  VAL 269          3HG1      VAL 269  35.704   8.478  -0.189
  159   1HG2  VAL 269          1HG2      VAL 269  32.737   7.318   1.414
  160   2HG2  VAL 269          2HG2      VAL 269  33.379   5.883   2.214
  161   3HG2  VAL 269          3HG2      VAL 269  33.054   5.855   0.481
  162    H    THR 270           H        THR 270  37.107   6.612  -1.723
  163    HA   THR 270           HA       THR 270  35.287   7.592  -3.631
  164    HB   THR 270           HB       THR 270  37.551   8.233  -3.889
  165    HG1  THR 270           HG1      THR 270  37.444   6.237  -5.846
  166   1HG2  THR 270          1HG2      THR 270  38.021   5.412  -3.240
  167   2HG2  THR 270          2HG2      THR 270  39.053   6.816  -2.963
  168   3HG2  THR 270          3HG2      THR 270  39.061   6.010  -4.532
  169    H    VAL 271           H        VAL 271  36.434   4.364  -2.934
  170    HA   VAL 271           HA       VAL 271  34.567   3.313  -4.961
  171    HB   VAL 271           HB       VAL 271  37.264   2.067  -4.430
  172   1HG1  VAL 271          1HG1      VAL 271  36.724   0.619  -6.148
  173   2HG1  VAL 271          2HG1      VAL 271  35.679   1.792  -6.950
  174   3HG1  VAL 271          3HG1      VAL 271  35.106   0.935  -5.519
  175   1HG2  VAL 271          1HG2      VAL 271  37.762   3.075  -6.764
  176   2HG2  VAL 271          2HG2      VAL 271  37.852   4.158  -5.375
  177   3HG2  VAL 271          3HG2      VAL 271  36.432   4.180  -6.420
  178    H    VAL 272           H        VAL 272  36.398   2.797  -1.990
  179    HA   VAL 272           HA       VAL 272  35.556   0.285  -1.231
  180    HB   VAL 272           HB       VAL 272  36.115   2.774   0.370
  181   1HG1  VAL 272          1HG1      VAL 272  35.128   0.081   1.296
  182   2HG1  VAL 272          2HG1      VAL 272  34.611   1.684   1.817
  183   3HG1  VAL 272          3HG1      VAL 272  36.178   1.055   2.325
  184   1HG2  VAL 272          1HG2      VAL 272  38.121   1.507   0.994
  185   2HG2  VAL 272          2HG2      VAL 272  37.979   1.570  -0.763
  186   3HG2  VAL 272          3HG2      VAL 272  37.532   0.101   0.106
  187    H    LEU 273           H        LEU 273  33.707   3.212  -1.450
  188    HA   LEU 273           HA       LEU 273  31.597   2.748   0.289
  189   1HB   LEU 273          1HB       LEU 273  32.045   4.740  -1.321
  190   2HB   LEU 273          2HB       LEU 273  31.109   3.801  -2.484
  191    HG   LEU 273           HG       LEU 273  29.476   3.587  -0.354
  192   1HD1  LEU 273          1HD1      LEU 273  30.813   6.295  -0.063
  193   2HD1  LEU 273          2HD1      LEU 273  30.967   4.956   1.074
  194   3HD1  LEU 273          3HD1      LEU 273  29.404   5.738   0.838
  195   1HD2  LEU 273          1HD2      LEU 273  28.591   4.375  -2.392
  196   2HD2  LEU 273          2HD2      LEU 273  29.712   5.734  -2.457
  197   3HD2  LEU 273          3HD2      LEU 273  28.376   5.748  -1.306
  198    H    TYR 274           H        TYR 274  32.607   0.830  -2.281
  199    HA   TYR 274           HA       TYR 274  29.974  -0.282  -2.873
  200   1HB   TYR 274          1HB       TYR 274  30.919  -1.106  -4.759
  201   2HB   TYR 274          2HB       TYR 274  32.219   0.030  -4.396
  202    HD1  TYR 274           HD1      TYR 274  31.621  -3.274  -5.252
  203    HD2  TYR 274           HD2      TYR 274  33.867  -0.946  -2.424
  204    HE1  TYR 274           HE1      TYR 274  33.201  -5.161  -4.954
  205    HE2  TYR 274           HE2      TYR 274  35.447  -2.833  -2.128
  206    HH   TYR 274           HH       TYR 274  34.949  -5.751  -2.681
  207    H    LYS 275           H        LYS 275  32.686  -0.878  -0.833
  208    HA   LYS 275           HA       LYS 275  32.509  -3.653  -0.471
  209   1HB   LYS 275          1HB       LYS 275  34.366  -2.254   0.381
  210   2HB   LYS 275          2HB       LYS 275  33.272  -1.555   1.575
  211   1HG   LYS 275          1HG       LYS 275  33.502  -3.336   2.938
  212   2HG   LYS 275          2HG       LYS 275  33.145  -4.457   1.624
  213   1HD   LYS 275          1HD       LYS 275  35.842  -3.128   1.994
  214   2HD   LYS 275          2HD       LYS 275  35.450  -4.728   2.626
  215   1HE   LYS 275          1HE       LYS 275  35.764  -5.671   0.604
  216   2HE   LYS 275          2HE       LYS 275  34.669  -4.517  -0.157
  217   1HZ   LYS 275          1HZ       LYS 275  36.378  -3.032  -0.560
  218   2HZ   LYS 275          2HZ       LYS 275  37.119  -4.532  -0.861
  219   3HZ   LYS 275          3HZ       LYS 275  37.403  -3.719   0.604
  220    H    LYS 276           H        LYS 276  30.668  -1.003   0.931
  221    HA   LYS 276           HA       LYS 276  29.213  -2.828   2.692
  222   1HB   LYS 276          1HB       LYS 276  27.952  -0.502   3.077
  223   2HB   LYS 276          2HB       LYS 276  29.470  -0.886   3.885
  224   1HG   LYS 276          1HG       LYS 276  29.562   0.397   1.173
  225   2HG   LYS 276          2HG       LYS 276  29.195   1.398   2.576
  226   1HD   LYS 276          1HD       LYS 276  31.507  -0.471   2.819
  227   2HD   LYS 276          2HD       LYS 276  31.716   0.941   1.784
  228   1HE   LYS 276          1HE       LYS 276  31.346   2.449   3.551
  229   2HE   LYS 276          2HE       LYS 276  30.553   1.228   4.547
  230   1HZ   LYS 276          1HZ       LYS 276  32.633   0.108   4.847
  231   2HZ   LYS 276          2HZ       LYS 276  32.833   1.742   5.271
  232   3HZ   LYS 276          3HZ       LYS 276  33.420   1.168   3.782
  233   1HN   NH2 277          1HN       NH2 277  28.237  -0.380   0.218
  234   2HN   NH2 277          2HN       NH2 277  26.865  -1.255  -0.297
  Start of MODEL   10
    1   1H    HIS 250          1H        HIS 250  46.356  -1.406  -0.518
    2   2H    HIS 250          2H        HIS 250  47.061  -0.509  -1.777
    3   3H    HIS 250          3H        HIS 250  47.670  -2.045  -1.380
    4    HA   HIS 250           HA       HIS 250  45.214  -2.768  -1.900
    5   1HB   HIS 250          1HB       HIS 250  45.340  -0.028  -2.716
    6   2HB   HIS 250          2HB       HIS 250  45.204  -1.021  -4.165
    7    HD2  HIS 250           HD2      HIS 250  43.168  -3.348  -2.915
    8    HE1  HIS 250           HE1      HIS 250  40.612  -0.083  -2.124
    9    HE2  HIS 250           HE2      HIS 250  40.726  -2.609  -2.361
   10    H    ILE 251           H        ILE 251  45.036  -3.062  -4.619
   11    HA   ILE 251           HA       ILE 251  47.372  -4.685  -5.169
   12    HB   ILE 251           HB       ILE 251  45.260  -4.225  -7.224
   13   1HG1  ILE 251          1HG1      ILE 251  43.894  -4.326  -5.229
   14   2HG1  ILE 251          2HG1      ILE 251  43.801  -5.896  -6.024
   15   1HG2  ILE 251          1HG2      ILE 251  46.217  -6.889  -6.246
   16   2HG2  ILE 251          2HG2      ILE 251  47.329  -5.888  -7.176
   17   3HG2  ILE 251          3HG2      ILE 251  45.788  -6.379  -7.878
   18   1HD1  ILE 251          1HD1      ILE 251  45.048  -5.161  -3.428
   19   2HD1  ILE 251          2HD1      ILE 251  45.924  -6.340  -4.403
   20   3HD1  ILE 251          3HD1      ILE 251  44.262  -6.660  -3.916
   21    H    ASN 252           H        ASN 252  47.159  -4.319  -8.081
   22    HA   ASN 252           HA       ASN 252  48.911  -1.982  -8.276
   23   1HB   ASN 252          1HB       ASN 252  48.370  -4.351 -10.050
   24   2HB   ASN 252          2HB       ASN 252  49.228  -2.934 -10.653
   25   1HD2  ASN 252          1HD2      ASN 252  49.367  -4.581  -7.446
   26   2HD2  ASN 252          2HD2      ASN 252  51.044  -4.841  -7.495
   27    H    GLU 253           H        GLU 253  46.145  -3.356 -10.068
   28    HA   GLU 253           HA       GLU 253  45.614  -1.426 -11.889
   29   1HB   GLU 253          1HB       GLU 253  43.079  -1.887 -11.042
   30   2HB   GLU 253          2HB       GLU 253  43.990  -2.999 -12.062
   31   1HG   GLU 253          1HG       GLU 253  44.556  -4.392 -10.250
   32   2HG   GLU 253          2HG       GLU 253  44.200  -3.141  -9.061
   33    H    LEU 254           H        LEU 254  44.608  -1.286  -8.476
   34    HA   LEU 254           HA       LEU 254  43.306   1.213  -8.627
   35   1HB   LEU 254          1HB       LEU 254  44.660  -0.097  -6.259
   36   2HB   LEU 254          2HB       LEU 254  43.514   1.240  -6.175
   37    HG   LEU 254           HG       LEU 254  42.238  -0.681  -7.766
   38   1HD1  LEU 254          1HD1      LEU 254  42.369  -2.746  -6.549
   39   2HD1  LEU 254          2HD1      LEU 254  43.357  -2.010  -5.287
   40   3HD1  LEU 254          3HD1      LEU 254  44.027  -2.260  -6.898
   41   1HD2  LEU 254          1HD2      LEU 254  41.077   0.726  -6.191
   42   2HD2  LEU 254          2HD2      LEU 254  41.988   0.058  -4.837
   43   3HD2  LEU 254          3HD2      LEU 254  40.810  -0.942  -5.686
   44    H    LEU 255           H        LEU 255  46.402   0.705  -9.392
   45    HA   LEU 255           HA       LEU 255  48.010   2.429  -7.957
   46   1HB   LEU 255          1HB       LEU 255  47.972   1.436 -10.747
   47   2HB   LEU 255          2HB       LEU 255  48.927   2.890 -10.461
   48    HG   LEU 255           HG       LEU 255  49.194   0.531  -8.610
   49   1HD1  LEU 255          1HD1      LEU 255  49.626  -0.567 -10.646
   50   2HD1  LEU 255          2HD1      LEU 255  51.226  -0.023 -10.137
   51   3HD1  LEU 255          3HD1      LEU 255  50.342   0.871 -11.375
   52   1HD2  LEU 255          1HD2      LEU 255  51.081   1.624  -7.887
   53   2HD2  LEU 255          2HD2      LEU 255  50.219   3.031  -8.507
   54   3HD2  LEU 255          3HD2      LEU 255  51.457   2.251  -9.492
   55    H    HIS 256           H        HIS 256  45.184   3.246  -9.592
   56    HA   HIS 256           HA       HIS 256  45.906   5.874 -10.481
   57   1HB   HIS 256          1HB       HIS 256  43.099   5.061  -9.792
   58   2HB   HIS 256          2HB       HIS 256  43.663   6.126 -11.079
   59    HD2  HIS 256           HD2      HIS 256  42.701   2.451 -10.618
   60    HE1  HIS 256           HE1      HIS 256  44.870   2.645 -14.235
   61    HE2  HIS 256           HE2      HIS 256  43.383   1.176 -12.793
   62    H    ILE 257           H        ILE 257  44.370   4.546  -7.574
   63    HA   ILE 257           HA       ILE 257  44.115   7.203  -6.406
   64    HB   ILE 257           HB       ILE 257  43.139   5.949  -4.479
   65   1HG1  ILE 257          1HG1      ILE 257  43.257   3.565  -6.335
   66   2HG1  ILE 257          2HG1      ILE 257  44.442   3.822  -5.053
   67   1HG2  ILE 257          1HG2      ILE 257  41.699   6.858  -6.226
   68   2HG2  ILE 257          2HG2      ILE 257  41.089   5.276  -5.737
   69   3HG2  ILE 257          3HG2      ILE 257  41.994   5.446  -7.241
   70   1HD1  ILE 257          1HD1      ILE 257  42.549   3.976  -3.417
   71   2HD1  ILE 257          2HD1      ILE 257  42.683   2.395  -4.187
   72   3HD1  ILE 257          3HD1      ILE 257  41.447   3.534  -4.721
   73    H    LEU 258           H        LEU 258  46.599   5.079  -6.752
   74    HA   LEU 258           HA       LEU 258  47.725   4.927  -4.165
   75   1HB   LEU 258          1HB       LEU 258  48.609   4.445  -6.926
   76   2HB   LEU 258          2HB       LEU 258  49.900   4.964  -5.848
   77    HG   LEU 258           HG       LEU 258  49.570   2.468  -5.926
   78   1HD1  LEU 258          1HD1      LEU 258  50.504   2.547  -3.884
   79   2HD1  LEU 258          2HD1      LEU 258  48.914   2.793  -3.164
   80   3HD1  LEU 258          3HD1      LEU 258  49.881   4.181  -3.657
   81   1HD2  LEU 258          1HD2      LEU 258  46.901   3.084  -5.835
   82   2HD2  LEU 258          2HD2      LEU 258  47.212   2.637  -4.159
   83   3HD2  LEU 258          3HD2      LEU 258  47.566   1.496  -5.456
   84    H    VAL 259           H        VAL 259  46.985   7.624  -5.851
   85    HA   VAL 259           HA       VAL 259  49.183   9.295  -5.850
   86    HB   VAL 259           HB       VAL 259  46.563  10.359  -4.869
   87   1HG1  VAL 259          1HG1      VAL 259  48.126  11.382  -7.205
   88   2HG1  VAL 259          2HG1      VAL 259  48.803  11.607  -5.592
   89   3HG1  VAL 259          3HG1      VAL 259  47.219  12.276  -5.983
   90   1HG2  VAL 259          1HG2      VAL 259  46.114  10.336  -7.517
   91   2HG2  VAL 259          2HG2      VAL 259  45.574   9.026  -6.469
   92   3HG2  VAL 259          3HG2      VAL 259  47.062   8.854  -7.399
   93    H    PHE 260           H        PHE 260  47.044   8.489  -3.134
   94    HA   PHE 260           HA       PHE 260  48.643  10.129  -1.325
   95   1HB   PHE 260          1HB       PHE 260  46.764   8.642   0.152
   96   2HB   PHE 260          2HB       PHE 260  46.657  10.338  -0.317
   97    HD1  PHE 260           HD1      PHE 260  45.782  10.845  -2.713
   98    HD2  PHE 260           HD2      PHE 260  45.222   7.092  -0.703
   99    HE1  PHE 260           HE1      PHE 260  43.898  10.313  -4.234
  100    HE2  PHE 260           HE2      PHE 260  43.333   6.557  -2.223
  101    HZ   PHE 260           HZ       PHE 260  42.672   8.173  -3.987
  102    H    GLY 261           H        GLY 261  47.310   6.879  -0.774
  103   1HA   GLY 261          1HA       GLY 261  48.771   4.917  -0.641
  104   2HA   GLY 261          2HA       GLY 261  50.017   5.971   0.018
  105    H    GLU 262           H        GLU 262  48.953   7.348   1.972
  106    HA   GLU 262           HA       GLU 262  48.333   5.349   3.979
  107   1HB   GLU 262          1HB       GLU 262  48.646   8.355   4.194
  108   2HB   GLU 262          2HB       GLU 262  48.489   7.244   5.556
  109   1HG   GLU 262          1HG       GLU 262  50.551   6.126   4.970
  110   2HG   GLU 262          2HG       GLU 262  50.670   7.037   3.466
  111    H    SER 263           H        SER 263  46.682   7.836   2.172
  112    HA   SER 263           HA       SER 263  44.276   7.643   3.814
  113   1HB   SER 263          1HB       SER 263  43.441   9.461   2.552
  114   2HB   SER 263          2HB       SER 263  45.156   9.807   2.753
  115    HG   SER 263           HG       SER 263  44.633  10.074   0.602
  116    H    LEU 264           H        LEU 264  45.628   5.717   1.595
  117    HA   LEU 264           HA       LEU 264  43.966   5.143  -0.465
  118   1HB   LEU 264          1HB       LEU 264  45.732   3.571   1.261
  119   2HB   LEU 264          2HB       LEU 264  44.433   2.615   0.547
  120    HG   LEU 264           HG       LEU 264  46.211   4.480  -1.047
  121   1HD1  LEU 264          1HD1      LEU 264  47.071   2.134  -1.870
  122   2HD1  LEU 264          2HD1      LEU 264  46.487   1.584  -0.299
  123   3HD1  LEU 264          3HD1      LEU 264  47.730   2.832  -0.390
  124   1HD2  LEU 264          1HD2      LEU 264  45.057   2.291  -2.507
  125   2HD2  LEU 264          2HD2      LEU 264  44.795   4.020  -2.739
  126   3HD2  LEU 264          3HD2      LEU 264  43.774   3.116  -1.621
  127    H    LEU 265           H        LEU 265  43.195   4.929   2.890
  128    HA   LEU 265           HA       LEU 265  40.769   3.370   2.353
  129   1HB   LEU 265          1HB       LEU 265  41.904   4.342   4.989
  130   2HB   LEU 265          2HB       LEU 265  40.536   3.253   4.782
  131    HG   LEU 265           HG       LEU 265  42.070   1.679   3.540
  132   1HD1  LEU 265          1HD1      LEU 265  44.569   2.224   4.442
  133   2HD1  LEU 265          2HD1      LEU 265  43.987   3.863   4.173
  134   3HD1  LEU 265          3HD1      LEU 265  43.997   2.703   2.848
  135   1HD2  LEU 265          1HD2      LEU 265  41.825   0.808   5.627
  136   2HD2  LEU 265          2HD2      LEU 265  42.129   2.358   6.411
  137   3HD2  LEU 265          3HD2      LEU 265  43.482   1.366   5.865
  138    H    ASN 266           H        ASN 266  41.838   6.565   3.375
  139    HA   ASN 266           HA       ASN 266  39.103   7.475   3.804
  140   1HB   ASN 266          1HB       ASN 266  41.830   8.628   4.213
  141   2HB   ASN 266          2HB       ASN 266  40.457   9.725   4.065
  142   1HD2  ASN 266          1HD2      ASN 266  41.809   7.091   6.042
  143   2HD2  ASN 266          2HD2      ASN 266  40.808   7.365   7.385
  144    H    ASP 267           H        ASP 267  41.714   9.116   2.046
  145    HA   ASP 267           HA       ASP 267  40.200  10.619   0.341
  146   1HB   ASP 267          1HB       ASP 267  42.732  10.594   0.581
  147   2HB   ASP 267          2HB       ASP 267  42.733   9.255  -0.566
  148    H    ALA 268           H        ALA 268  40.390   7.222   0.369
  149    HA   ALA 268           HA       ALA 268  39.589   6.934  -2.431
  150   1HB   ALA 268          1HB       ALA 268  39.830   4.575  -2.093
  151   2HB   ALA 268          2HB       ALA 268  39.856   4.769  -0.340
  152   3HB   ALA 268          3HB       ALA 268  41.209   5.350  -1.313
  153    H    VAL 269           H        VAL 269  38.251   6.804   0.800
  154    HA   VAL 269           HA       VAL 269  35.866   5.451   0.375
  155    HB   VAL 269           HB       VAL 269  36.886   6.550   2.531
  156   1HG1  VAL 269          1HG1      VAL 269  34.816   8.639   1.874
  157   2HG1  VAL 269          2HG1      VAL 269  36.502   8.869   1.410
  158   3HG1  VAL 269          3HG1      VAL 269  36.073   8.680   3.110
  159   1HG2  VAL 269          1HG2      VAL 269  34.017   6.080   1.779
  160   2HG2  VAL 269          2HG2      VAL 269  34.386   6.730   3.378
  161   3HG2  VAL 269          3HG2      VAL 269  35.043   5.168   2.887
  162    H    THR 270           H        THR 270  36.896   8.413  -0.969
  163    HA   THR 270           HA       THR 270  34.175   9.335  -1.534
  164    HB   THR 270           HB       THR 270  35.730  11.065  -0.905
  165    HG1  THR 270           HG1      THR 270  34.438  11.839  -2.459
  166   1HG2  THR 270          1HG2      THR 270  37.616  11.228  -2.932
  167   2HG2  THR 270          2HG2      THR 270  37.524   9.498  -2.601
  168   3HG2  THR 270          3HG2      THR 270  37.909  10.627  -1.300
  169    H    VAL 271           H        VAL 271  36.211   7.109  -2.814
  170    HA   VAL 271           HA       VAL 271  35.012   7.415  -5.485
  171    HB   VAL 271           HB       VAL 271  37.928   7.129  -4.819
  172   1HG1  VAL 271          1HG1      VAL 271  36.430   6.079  -7.212
  173   2HG1  VAL 271          2HG1      VAL 271  37.709   5.300  -6.279
  174   3HG1  VAL 271          3HG1      VAL 271  38.099   6.629  -7.372
  175   1HG2  VAL 271          1HG2      VAL 271  36.542   9.299  -5.497
  176   2HG2  VAL 271          2HG2      VAL 271  36.769   8.652  -7.123
  177   3HG2  VAL 271          3HG2      VAL 271  38.170   9.034  -6.121
  178    H    VAL 272           H        VAL 272  37.204   5.231  -3.705
  179    HA   VAL 272           HA       VAL 272  36.309   2.877  -4.966
  180    HB   VAL 272           HB       VAL 272  38.420   3.329  -3.493
  181   1HG1  VAL 272          1HG1      VAL 272  38.238   2.863  -1.197
  182   2HG1  VAL 272          2HG1      VAL 272  36.669   2.083  -1.383
  183   3HG1  VAL 272          3HG1      VAL 272  36.802   3.837  -1.512
  184   1HG2  VAL 272          1HG2      VAL 272  38.420   1.215  -4.412
  185   2HG2  VAL 272          2HG2      VAL 272  36.784   0.862  -3.858
  186   3HG2  VAL 272          3HG2      VAL 272  38.136   0.767  -2.730
  187    H    LEU 273           H        LEU 273  34.532   4.878  -3.083
  188    HA   LEU 273           HA       LEU 273  33.110   2.790  -1.611
  189   1HB   LEU 273          1HB       LEU 273  33.595   4.902  -0.458
  190   2HB   LEU 273          2HB       LEU 273  32.707   5.792  -1.692
  191    HG   LEU 273           HG       LEU 273  30.635   4.599  -1.072
  192   1HD1  LEU 273          1HD1      LEU 273  32.563   3.099   0.657
  193   2HD1  LEU 273          2HD1      LEU 273  31.180   2.499  -0.259
  194   3HD1  LEU 273          3HD1      LEU 273  30.926   3.354   1.263
  195   1HD2  LEU 273          1HD2      LEU 273  31.689   6.672   0.224
  196   2HD2  LEU 273          2HD2      LEU 273  31.747   5.512   1.552
  197   3HD2  LEU 273          3HD2      LEU 273  30.205   5.906   0.790
  198    H    TYR 274           H        TYR 274  31.696   5.602  -3.234
  199    HA   TYR 274           HA       TYR 274  29.604   3.875  -4.323
  200   1HB   TYR 274          1HB       TYR 274  28.635   6.153  -5.011
  201   2HB   TYR 274          2HB       TYR 274  28.720   5.799  -3.285
  202    HD1  TYR 274           HD1      TYR 274  30.122   7.791  -6.041
  203    HD2  TYR 274           HD2      TYR 274  30.396   6.874  -1.852
  204    HE1  TYR 274           HE1      TYR 274  31.544   9.793  -5.695
  205    HE2  TYR 274           HE2      TYR 274  31.817   8.876  -1.507
  206    HH   TYR 274           HH       TYR 274  32.058  11.217  -2.880
  207    H    LYS 275           H        LYS 275  31.753   6.453  -5.534
  208    HA   LYS 275           HA       LYS 275  31.231   6.474  -8.180
  209   1HB   LYS 275          1HB       LYS 275  33.118   7.652  -6.843
  210   2HB   LYS 275          2HB       LYS 275  34.094   6.255  -7.289
  211   1HG   LYS 275          1HG       LYS 275  34.538   7.364  -9.209
  212   2HG   LYS 275          2HG       LYS 275  32.899   6.942  -9.692
  213   1HD   LYS 275          1HD       LYS 275  33.631   9.467  -8.172
  214   2HD   LYS 275          2HD       LYS 275  33.405   9.387  -9.917
  215   1HE   LYS 275          1HE       LYS 275  31.319   8.778  -7.803
  216   2HE   LYS 275          2HE       LYS 275  31.335  10.153  -8.903
  217   1HZ   LYS 275          1HZ       LYS 275  30.230   8.911 -10.342
  218   2HZ   LYS 275          2HZ       LYS 275  30.358   7.539  -9.348
  219   3HZ   LYS 275          3HZ       LYS 275  31.579   7.893 -10.476
  220    H    LYS 276           H        LYS 276  33.115   3.995  -6.495
  221    HA   LYS 276           HA       LYS 276  33.259   2.431  -8.990
  222   1HB   LYS 276          1HB       LYS 276  35.371   2.835  -7.720
  223   2HB   LYS 276          2HB       LYS 276  34.676   1.950  -6.361
  224   1HG   LYS 276          1HG       LYS 276  34.522  -0.074  -7.647
  225   2HG   LYS 276          2HG       LYS 276  34.926   0.776  -9.139
  226   1HD   LYS 276          1HD       LYS 276  36.868   0.951  -6.876
  227   2HD   LYS 276          2HD       LYS 276  36.777  -0.571  -7.764
  228   1HE   LYS 276          1HE       LYS 276  37.149   0.624  -9.881
  229   2HE   LYS 276          2HE       LYS 276  37.208   2.159  -9.015
  230   1HZ   LYS 276          1HZ       LYS 276  39.007   0.739  -7.658
  231   2HZ   LYS 276          2HZ       LYS 276  39.397   1.730  -8.982
  232   3HZ   LYS 276          3HZ       LYS 276  39.197   0.057  -9.199
  233   1HN   NH2 277          1HN       NH2 277  33.079   1.299  -5.592
  234   2HN   NH2 277          2HN       NH2 277  31.726   0.290  -5.845
  Start of MODEL   11
    1   1H    HIS 250          1H        HIS 250  35.305  -8.692  -1.055
    2   2H    HIS 250          2H        HIS 250  34.352  -8.772   0.349
    3   3H    HIS 250          3H        HIS 250  34.394 -10.085  -0.729
    4    HA   HIS 250           HA       HIS 250  35.735 -10.446   1.298
    5   1HB   HIS 250          1HB       HIS 250  36.361 -10.939  -1.413
    6   2HB   HIS 250          2HB       HIS 250  37.870 -10.439  -0.647
    7    HD2  HIS 250           HD2      HIS 250  37.960 -11.922   2.121
    8    HE1  HIS 250           HE1      HIS 250  36.542 -15.402   0.195
    9    HE2  HIS 250           HE2      HIS 250  37.667 -14.511   2.291
   10    H    ILE 251           H        ILE 251  38.362 -10.094   1.577
   11    HA   ILE 251           HA       ILE 251  38.654  -7.180   1.977
   12    HB   ILE 251           HB       ILE 251  39.993  -9.461   3.450
   13   1HG1  ILE 251          1HG1      ILE 251  38.299  -7.734   5.031
   14   2HG1  ILE 251          2HG1      ILE 251  37.377  -8.409   3.686
   15   1HG2  ILE 251          1HG2      ILE 251  41.454  -7.602   3.555
   16   2HG2  ILE 251          2HG2      ILE 251  40.506  -7.486   5.037
   17   3HG2  ILE 251          3HG2      ILE 251  40.122  -6.453   3.661
   18   1HD1  ILE 251          1HD1      ILE 251  37.337  -9.874   5.708
   19   2HD1  ILE 251          2HD1      ILE 251  39.087 -10.040   5.586
   20   3HD1  ILE 251          3HD1      ILE 251  38.051 -10.670   4.306
   21    H    ASN 252           H        ASN 252  40.074 -10.044   0.597
   22    HA   ASN 252           HA       ASN 252  42.677  -8.956   0.130
   23   1HB   ASN 252          1HB       ASN 252  41.219 -11.251  -1.200
   24   2HB   ASN 252          2HB       ASN 252  42.930 -10.884  -1.411
   25   1HD2  ASN 252          1HD2      ASN 252  40.519 -12.011   0.949
   26   2HD2  ASN 252          2HD2      ASN 252  41.649 -12.625   2.057
   27    H    GLU 253           H        GLU 253  39.705  -9.195  -1.782
   28    HA   GLU 253           HA       GLU 253  40.603  -8.373  -4.263
   29   1HB   GLU 253          1HB       GLU 253  38.014  -7.686  -2.852
   30   2HB   GLU 253          2HB       GLU 253  38.314  -7.404  -4.567
   31   1HG   GLU 253          1HG       GLU 253  38.884 -10.135  -3.520
   32   2HG   GLU 253          2HG       GLU 253  37.191  -9.671  -3.675
   33    H    LEU 254           H        LEU 254  40.296  -6.554  -1.328
   34    HA   LEU 254           HA       LEU 254  40.435  -3.958  -2.584
   35   1HB   LEU 254          1HB       LEU 254  40.312  -5.022   0.185
   36   2HB   LEU 254          2HB       LEU 254  41.096  -3.457  -0.021
   37    HG   LEU 254           HG       LEU 254  39.122  -2.589  -1.184
   38   1HD1  LEU 254          1HD1      LEU 254  38.292  -5.462  -0.987
   39   2HD1  LEU 254          2HD1      LEU 254  38.131  -4.342  -2.340
   40   3HD1  LEU 254          3HD1      LEU 254  37.043  -4.217  -0.958
   41   1HD2  LEU 254          1HD2      LEU 254  38.151  -4.018   1.298
   42   2HD2  LEU 254          2HD2      LEU 254  37.682  -2.424   0.705
   43   3HD2  LEU 254          3HD2      LEU 254  39.292  -2.675   1.383
   44    H    LEU 255           H        LEU 255  42.638  -6.403  -2.094
   45    HA   LEU 255           HA       LEU 255  44.969  -5.436  -1.130
   46   1HB   LEU 255          1HB       LEU 255  44.343  -7.184  -3.465
   47   2HB   LEU 255          2HB       LEU 255  46.007  -6.644  -3.253
   48    HG   LEU 255           HG       LEU 255  44.505  -7.766  -0.905
   49   1HD1  LEU 255          1HD1      LEU 255  44.218  -9.410  -2.727
   50   2HD1  LEU 255          2HD1      LEU 255  45.327 -10.017  -1.498
   51   3HD1  LEU 255          3HD1      LEU 255  45.956  -9.387  -3.021
   52   1HD2  LEU 255          1HD2      LEU 255  46.597  -7.947   0.032
   53   2HD2  LEU 255          2HD2      LEU 255  46.961  -6.659  -1.116
   54   3HD2  LEU 255          3HD2      LEU 255  47.367  -8.330  -1.507
   55    H    HIS 256           H        HIS 256  43.389  -4.412  -4.080
   56    HA   HIS 256           HA       HIS 256  45.599  -2.989  -5.181
   57   1HB   HIS 256          1HB       HIS 256  42.687  -2.365  -5.670
   58   2HB   HIS 256          2HB       HIS 256  44.052  -2.132  -6.764
   59    HD2  HIS 256           HD2      HIS 256  44.977  -5.432  -5.683
   60    HE1  HIS 256           HE1      HIS 256  41.851  -6.299  -8.385
   61    HE2  HIS 256           HE2      HIS 256  43.815  -7.285  -7.112
   62    H    ILE 257           H        ILE 257  42.814  -2.014  -3.198
   63    HA   ILE 257           HA       ILE 257  43.895   0.684  -2.979
   64    HB   ILE 257           HB       ILE 257  41.383  -0.007  -3.291
   65   1HG1  ILE 257          1HG1      ILE 257  40.879   1.975  -1.576
   66   2HG1  ILE 257          2HG1      ILE 257  42.635   2.121  -1.616
   67   1HG2  ILE 257          1HG2      ILE 257  40.176  -0.495  -1.331
   68   2HG2  ILE 257          2HG2      ILE 257  41.486   0.040  -0.280
   69   3HG2  ILE 257          3HG2      ILE 257  41.627  -1.481  -1.159
   70   1HD1  ILE 257          1HD1      ILE 257  40.746   2.239  -3.982
   71   2HD1  ILE 257          2HD1      ILE 257  42.502   2.176  -4.128
   72   3HD1  ILE 257          3HD1      ILE 257  41.731   3.555  -3.344
   73    H    LEU 258           H        LEU 258  43.819  -2.284  -1.248
   74    HA   LEU 258           HA       LEU 258  44.011  -1.380   1.408
   75   1HB   LEU 258          1HB       LEU 258  43.933  -3.826   0.228
   76   2HB   LEU 258          2HB       LEU 258  45.631  -3.745   0.695
   77    HG   LEU 258           HG       LEU 258  43.264  -3.291   2.537
   78   1HD1  LEU 258          1HD1      LEU 258  45.322  -5.514   2.531
   79   2HD1  LEU 258          2HD1      LEU 258  43.718  -5.667   1.817
   80   3HD1  LEU 258          3HD1      LEU 258  43.889  -5.392   3.551
   81   1HD2  LEU 258          1HD2      LEU 258  44.917  -1.966   3.492
   82   2HD2  LEU 258          2HD2      LEU 258  46.227  -2.938   2.820
   83   3HD2  LEU 258          3HD2      LEU 258  45.315  -3.528   4.209
   84    H    VAL 259           H        VAL 259  46.509  -1.937  -1.049
   85    HA   VAL 259           HA       VAL 259  48.832  -1.690   0.330
   86    HB   VAL 259           HB       VAL 259  49.471  -0.112  -1.753
   87   1HG1  VAL 259          1HG1      VAL 259  49.785  -2.251  -3.038
   88   2HG1  VAL 259          2HG1      VAL 259  48.850  -3.080  -1.794
   89   3HG1  VAL 259          3HG1      VAL 259  50.390  -2.326  -1.384
   90   1HG2  VAL 259          1HG2      VAL 259  46.888  -0.078  -2.220
   91   2HG2  VAL 259          2HG2      VAL 259  47.166  -1.694  -2.870
   92   3HG2  VAL 259          3HG2      VAL 259  48.000  -0.308  -3.569
   93    H    PHE 260           H        PHE 260  47.707   1.249  -1.298
   94    HA   PHE 260           HA       PHE 260  48.866   2.868   0.816
   95   1HB   PHE 260          1HB       PHE 260  48.150   4.768  -0.672
   96   2HB   PHE 260          2HB       PHE 260  49.249   3.618  -1.433
   97    HD1  PHE 260           HD1      PHE 260  45.636   4.493  -1.072
   98    HD2  PHE 260           HD2      PHE 260  48.617   2.437  -3.383
   99    HE1  PHE 260           HE1      PHE 260  43.965   4.071  -2.851
  100    HE2  PHE 260           HE2      PHE 260  46.944   2.014  -5.163
  101    HZ   PHE 260           HZ       PHE 260  44.617   2.831  -4.898
  102    H    GLY 261           H        GLY 261  46.031   1.291   0.573
  103   1HA   GLY 261          1HA       GLY 261  43.935   2.999   1.007
  104   2HA   GLY 261          2HA       GLY 261  44.091   1.446   1.819
  105    H    GLU 262           H        GLU 262  46.743   2.776   2.906
  106    HA   GLU 262           HA       GLU 262  45.492   3.688   5.370
  107   1HB   GLU 262          1HB       GLU 262  47.943   3.854   6.102
  108   2HB   GLU 262          2HB       GLU 262  47.331   2.243   5.725
  109   1HG   GLU 262          1HG       GLU 262  48.574   2.065   3.801
  110   2HG   GLU 262          2HG       GLU 262  48.508   3.797   3.474
  111    H    SER 263           H        SER 263  47.233   5.019   2.640
  112    HA   SER 263           HA       SER 263  47.518   7.624   3.933
  113   1HB   SER 263          1HB       SER 263  49.389   7.028   2.601
  114   2HB   SER 263          2HB       SER 263  48.370   6.514   1.260
  115    HG   SER 263           HG       SER 263  49.446   8.816   1.488
  116    H    LEU 264           H        LEU 264  46.307   6.663   0.719
  117    HA   LEU 264           HA       LEU 264  44.685   8.965   0.413
  118   1HB   LEU 264          1HB       LEU 264  44.202   6.348  -1.001
  119   2HB   LEU 264          2HB       LEU 264  43.933   7.986  -1.598
  120    HG   LEU 264           HG       LEU 264  46.594   6.634  -1.082
  121   1HD1  LEU 264          1HD1      LEU 264  46.763   6.451  -3.346
  122   2HD1  LEU 264          2HD1      LEU 264  46.006   8.019  -3.624
  123   3HD1  LEU 264          3HD1      LEU 264  45.006   6.600  -3.311
  124   1HD2  LEU 264          1HD2      LEU 264  46.914   8.862  -0.315
  125   2HD2  LEU 264          2HD2      LEU 264  45.884   9.530  -1.582
  126   3HD2  LEU 264          3HD2      LEU 264  47.474   8.883  -1.988
  127    H    LEU 265           H        LEU 265  44.318   6.660   2.640
  128    HA   LEU 265           HA       LEU 265  41.911   5.492   2.699
  129   1HB   LEU 265          1HB       LEU 265  43.541   5.682   4.618
  130   2HB   LEU 265          2HB       LEU 265  42.832   7.254   4.976
  131    HG   LEU 265           HG       LEU 265  40.558   5.888   4.911
  132   1HD1  LEU 265          1HD1      LEU 265  42.632   3.785   5.612
  133   2HD1  LEU 265          2HD1      LEU 265  41.554   3.758   4.217
  134   3HD1  LEU 265          3HD1      LEU 265  40.892   3.606   5.842
  135   1HD2  LEU 265          1HD2      LEU 265  40.898   5.425   7.378
  136   2HD2  LEU 265          2HD2      LEU 265  41.295   7.068   6.877
  137   3HD2  LEU 265          3HD2      LEU 265  42.583   5.898   7.163
  138    H    ASN 266           H        ASN 266  42.421   8.976   3.088
  139    HA   ASN 266           HA       ASN 266  39.824   9.741   3.747
  140   1HB   ASN 266          1HB       ASN 266  41.352  11.457   1.855
  141   2HB   ASN 266          2HB       ASN 266  40.518  11.890   3.345
  142   1HD2  ASN 266          1HD2      ASN 266  43.499  10.362   2.095
  143   2HD2  ASN 266          2HD2      ASN 266  44.402  10.597   3.513
  144    H    ASP 267           H        ASP 267  41.304   9.465   0.514
  145    HA   ASP 267           HA       ASP 267  38.684   9.806  -0.738
  146   1HB   ASP 267          1HB       ASP 267  41.284   9.258  -2.159
  147   2HB   ASP 267          2HB       ASP 267  39.843  10.062  -2.780
  148    H    ALA 268           H        ALA 268  41.081   7.328  -0.111
  149    HA   ALA 268           HA       ALA 268  40.473   5.320  -1.853
  150   1HB   ALA 268          1HB       ALA 268  41.486   3.890  -0.375
  151   2HB   ALA 268          2HB       ALA 268  40.601   4.525   1.012
  152   3HB   ALA 268          3HB       ALA 268  41.974   5.417   0.359
  153    H    VAL 269           H        VAL 269  38.812   5.769   1.279
  154    HA   VAL 269           HA       VAL 269  36.875   3.868   1.145
  155    HB   VAL 269           HB       VAL 269  36.804   6.692   2.167
  156   1HG1  VAL 269          1HG1      VAL 269  34.526   4.734   1.923
  157   2HG1  VAL 269          2HG1      VAL 269  34.531   6.470   1.610
  158   3HG1  VAL 269          3HG1      VAL 269  34.585   5.873   3.269
  159   1HG2  VAL 269          1HG2      VAL 269  36.262   4.250   3.794
  160   2HG2  VAL 269          2HG2      VAL 269  37.172   5.701   4.216
  161   3HG2  VAL 269          3HG2      VAL 269  37.905   4.467   3.193
  162    H    THR 270           H        THR 270  36.981   6.896  -0.651
  163    HA   THR 270           HA       THR 270  34.354   6.794  -1.704
  164    HB   THR 270           HB       THR 270  36.662   8.002  -3.200
  165    HG1  THR 270           HG1      THR 270  36.961   8.569  -1.040
  166   1HG2  THR 270          1HG2      THR 270  35.055   9.331  -4.138
  167   2HG2  THR 270          2HG2      THR 270  34.107   9.409  -2.653
  168   3HG2  THR 270          3HG2      THR 270  34.005   7.987  -3.692
  169    H    VAL 271           H        VAL 271  37.477   5.641  -2.943
  170    HA   VAL 271           HA       VAL 271  36.493   4.674  -5.419
  171    HB   VAL 271           HB       VAL 271  38.892   3.725  -3.832
  172   1HG1  VAL 271          1HG1      VAL 271  38.326   2.173  -5.609
  173   2HG1  VAL 271          2HG1      VAL 271  39.722   3.118  -6.126
  174   3HG1  VAL 271          3HG1      VAL 271  38.119   3.496  -6.755
  175   1HG2  VAL 271          1HG2      VAL 271  39.560   5.875  -4.182
  176   2HG2  VAL 271          2HG2      VAL 271  38.313   6.164  -5.395
  177   3HG2  VAL 271          3HG2      VAL 271  39.810   5.347  -5.846
  178    H    VAL 272           H        VAL 272  36.482   3.393  -2.189
  179    HA   VAL 272           HA       VAL 272  35.793   0.703  -3.085
  180    HB   VAL 272           HB       VAL 272  36.098   1.907  -0.325
  181   1HG1  VAL 272          1HG1      VAL 272  36.180  -0.705   0.153
  182   2HG1  VAL 272          2HG1      VAL 272  35.172  -0.772  -1.291
  183   3HG1  VAL 272          3HG1      VAL 272  34.642   0.156   0.112
  184   1HG2  VAL 272          1HG2      VAL 272  37.851  -0.286  -1.123
  185   2HG2  VAL 272          2HG2      VAL 272  38.272   1.299  -0.474
  186   3HG2  VAL 272          3HG2      VAL 272  38.000   1.100  -2.204
  187    H    LEU 273           H        LEU 273  34.149   3.529  -2.828
  188    HA   LEU 273           HA       LEU 273  31.743   2.483  -1.573
  189   1HB   LEU 273          1HB       LEU 273  32.816   5.058  -2.040
  190   2HB   LEU 273          2HB       LEU 273  31.327   4.970  -2.977
  191    HG   LEU 273           HG       LEU 273  30.842   5.791  -0.726
  192   1HD1  LEU 273          1HD1      LEU 273  28.909   4.639  -0.727
  193   2HD1  LEU 273          2HD1      LEU 273  29.733   3.145  -0.279
  194   3HD1  LEU 273          3HD1      LEU 273  29.606   3.607  -1.976
  195   1HD2  LEU 273          1HD2      LEU 273  32.800   3.845   0.010
  196   2HD2  LEU 273          2HD2      LEU 273  31.293   3.427   0.824
  197   3HD2  LEU 273          3HD2      LEU 273  32.000   5.027   1.045
  198    H    TYR 274           H        TYR 274  32.138   4.180  -4.688
  199    HA   TYR 274           HA       TYR 274  30.031   2.481  -5.808
  200   1HB   TYR 274          1HB       TYR 274  29.930   4.090  -7.614
  201   2HB   TYR 274          2HB       TYR 274  29.917   4.955  -6.079
  202    HD1  TYR 274           HD1      TYR 274  32.107   5.918  -5.198
  203    HD2  TYR 274           HD2      TYR 274  31.639   4.461  -9.212
  204    HE1  TYR 274           HE1      TYR 274  34.123   7.184  -5.892
  205    HE2  TYR 274           HE2      TYR 274  33.655   5.729  -9.906
  206    HH   TYR 274           HH       TYR 274  35.680   6.665  -8.876
  207    H    LYS 275           H        LYS 275  33.266   3.639  -6.788
  208    HA   LYS 275           HA       LYS 275  33.722   2.196  -9.041
  209   1HB   LYS 275          1HB       LYS 275  35.349   3.421  -7.028
  210   2HB   LYS 275          2HB       LYS 275  36.077   1.882  -7.486
  211   1HG   LYS 275          1HG       LYS 275  35.164   3.982  -9.474
  212   2HG   LYS 275          2HG       LYS 275  36.828   3.804  -8.919
  213   1HD   LYS 275          1HD       LYS 275  37.190   2.088 -10.331
  214   2HD   LYS 275          2HD       LYS 275  35.748   1.246  -9.762
  215   1HE   LYS 275          1HE       LYS 275  35.721   1.872 -12.223
  216   2HE   LYS 275          2HE       LYS 275  34.339   2.450 -11.291
  217   1HZ   LYS 275          1HZ       LYS 275  35.188   4.603 -11.229
  218   2HZ   LYS 275          2HZ       LYS 275  35.499   4.095 -12.820
  219   3HZ   LYS 275          3HZ       LYS 275  36.751   4.114 -11.671
  220    H    LYS 276           H        LYS 276  34.979   0.930  -5.957
  221    HA   LYS 276           HA       LYS 276  33.687  -1.597  -6.174
  222   1HB   LYS 276          1HB       LYS 276  35.966  -2.824  -6.545
  223   2HB   LYS 276          2HB       LYS 276  35.069  -2.226  -7.941
  224   1HG   LYS 276          1HG       LYS 276  36.500  -0.383  -8.231
  225   2HG   LYS 276          2HG       LYS 276  37.113  -0.482  -6.581
  226   1HD   LYS 276          1HD       LYS 276  37.564  -2.883  -8.264
  227   2HD   LYS 276          2HD       LYS 276  38.467  -1.441  -8.730
  228   1HE   LYS 276          1HE       LYS 276  39.336  -1.224  -6.439
  229   2HE   LYS 276          2HE       LYS 276  38.411  -2.644  -5.946
  230   1HZ   LYS 276          1HZ       LYS 276  39.847  -4.032  -6.937
  231   2HZ   LYS 276          2HZ       LYS 276  40.935  -2.733  -6.807
  232   3HZ   LYS 276          3HZ       LYS 276  40.107  -3.011  -8.265
  233   1HN   NH2 277          1HN       NH2 277  37.049  -1.687  -5.227
  234   2HN   NH2 277          2HN       NH2 277  36.772  -1.619  -3.543
  Start of MODEL   12
    1   1H    HIS 250          1H        HIS 250  59.995  22.983   2.286
    2   2H    HIS 250          2H        HIS 250  58.670  21.924   2.373
    3   3H    HIS 250          3H        HIS 250  60.156  21.381   1.755
    4    HA   HIS 250           HA       HIS 250  60.992  22.158   4.123
    5   1HB   HIS 250          1HB       HIS 250  58.214  22.439   4.319
    6   2HB   HIS 250          2HB       HIS 250  58.563  20.916   5.139
    7    HD2  HIS 250           HD2      HIS 250  61.171  21.482   6.836
    8    HE1  HIS 250           HE1      HIS 250  59.439  25.145   8.024
    9    HE2  HIS 250           HE2      HIS 250  61.252  23.448   8.554
   10    H    ILE 251           H        ILE 251  61.555  20.324   5.492
   11    HA   ILE 251           HA       ILE 251  61.648  17.843   3.943
   12    HB   ILE 251           HB       ILE 251  63.022  18.542   6.548
   13   1HG1  ILE 251          1HG1      ILE 251  64.952  18.518   4.605
   14   2HG1  ILE 251          2HG1      ILE 251  63.590  19.218   3.727
   15   1HG2  ILE 251          1HG2      ILE 251  63.722  16.404   6.516
   16   2HG2  ILE 251          2HG2      ILE 251  64.398  16.642   4.904
   17   3HG2  ILE 251          3HG2      ILE 251  62.728  16.106   5.090
   18   1HD1  ILE 251          1HD1      ILE 251  64.908  20.232   6.247
   19   2HD1  ILE 251          2HD1      ILE 251  63.294  20.760   5.769
   20   3HD1  ILE 251          3HD1      ILE 251  64.674  21.080   4.718
   21    H    ASN 252           H        ASN 252  60.267  19.179   6.857
   22    HA   ASN 252           HA       ASN 252  59.612  16.912   8.304
   23   1HB   ASN 252          1HB       ASN 252  58.264  19.570   7.945
   24   2HB   ASN 252          2HB       ASN 252  57.491  18.310   8.908
   25   1HD2  ASN 252          1HD2      ASN 252  60.999  18.426   8.795
   26   2HD2  ASN 252          2HD2      ASN 252  61.217  19.020  10.369
   27    H    GLU 253           H        GLU 253  58.444  17.923   5.233
   28    HA   GLU 253           HA       GLU 253  55.902  16.851   5.079
   29   1HB   GLU 253          1HB       GLU 253  58.107  16.896   3.013
   30   2HB   GLU 253          2HB       GLU 253  56.447  16.418   2.655
   31   1HG   GLU 253          1HG       GLU 253  56.715  18.960   4.139
   32   2HG   GLU 253          2HG       GLU 253  57.362  18.988   2.499
   33    H    LEU 254           H        LEU 254  58.712  15.202   5.883
   34    HA   LEU 254           HA       LEU 254  58.683  12.757   4.690
   35   1HB   LEU 254          1HB       LEU 254  59.705  13.815   7.093
   36   2HB   LEU 254          2HB       LEU 254  58.840  12.345   7.539
   37    HG   LEU 254           HG       LEU 254  60.061  11.146   5.696
   38   1HD1  LEU 254          1HD1      LEU 254  61.298  12.308   4.216
   39   2HD1  LEU 254          2HD1      LEU 254  62.256  13.010   5.519
   40   3HD1  LEU 254          3HD1      LEU 254  60.768  13.798   4.996
   41   1HD2  LEU 254          1HD2      LEU 254  61.881  12.488   7.719
   42   2HD2  LEU 254          2HD2      LEU 254  62.130  10.920   6.950
   43   3HD2  LEU 254          3HD2      LEU 254  60.809  11.139   8.097
   44    H    LEU 255           H        LEU 255  56.145  14.143   6.528
   45    HA   LEU 255           HA       LEU 255  54.860  11.715   7.346
   46   1HB   LEU 255          1HB       LEU 255  52.920  13.189   7.802
   47   2HB   LEU 255          2HB       LEU 255  54.409  13.813   8.511
   48    HG   LEU 255           HG       LEU 255  54.381  14.897   5.939
   49   1HD1  LEU 255          1HD1      LEU 255  52.156  15.961   5.779
   50   2HD1  LEU 255          2HD1      LEU 255  51.617  15.039   7.181
   51   3HD1  LEU 255          3HD1      LEU 255  52.030  14.204   5.684
   52   1HD2  LEU 255          1HD2      LEU 255  55.092  16.004   8.041
   53   2HD2  LEU 255          2HD2      LEU 255  53.404  16.123   8.540
   54   3HD2  LEU 255          3HD2      LEU 255  53.972  17.016   7.130
   55    H    HIS 256           H        HIS 256  54.755  13.782   4.513
   56    HA   HIS 256           HA       HIS 256  52.402  12.965   3.297
   57   1HB   HIS 256          1HB       HIS 256  55.049  13.911   2.285
   58   2HB   HIS 256          2HB       HIS 256  53.897  13.248   1.125
   59    HD2  HIS 256           HD2      HIS 256  53.682  16.015   3.997
   60    HE1  HIS 256           HE1      HIS 256  51.199  17.141   0.773
   61    HE2  HIS 256           HE2      HIS 256  52.060  17.836   3.059
   62    H    ILE 257           H        ILE 257  55.535  11.724   2.176
   63    HA   ILE 257           HA       ILE 257  54.632   9.480   0.874
   64    HB   ILE 257           HB       ILE 257  57.177   9.445   2.491
   65   1HG1  ILE 257          1HG1      ILE 257  57.186  11.615   1.459
   66   2HG1  ILE 257          2HG1      ILE 257  58.179  10.576   0.438
   67   1HG2  ILE 257          1HG2      ILE 257  56.571   7.410   1.238
   68   2HG2  ILE 257          2HG2      ILE 257  57.984   8.185   0.524
   69   3HG2  ILE 257          3HG2      ILE 257  56.403   8.363  -0.236
   70   1HD1  ILE 257          1HD1      ILE 257  55.361  11.539  -0.057
   71   2HD1  ILE 257          2HD1      ILE 257  56.015  10.136  -0.901
   72   3HD1  ILE 257          3HD1      ILE 257  56.778  11.715  -1.092
   73    H    LEU 258           H        LEU 258  54.570  10.100   4.219
   74    HA   LEU 258           HA       LEU 258  54.407   7.278   4.968
   75   1HB   LEU 258          1HB       LEU 258  55.195   9.644   6.294
   76   2HB   LEU 258          2HB       LEU 258  53.728   9.089   7.099
   77    HG   LEU 258           HG       LEU 258  54.746   6.799   7.244
   78   1HD1  LEU 258          1HD1      LEU 258  56.604   7.957   5.446
   79   2HD1  LEU 258          2HD1      LEU 258  56.639   6.328   6.122
   80   3HD1  LEU 258          3HD1      LEU 258  57.487   7.641   6.940
   81   1HD2  LEU 258          1HD2      LEU 258  54.896   8.089   9.229
   82   2HD2  LEU 258          2HD2      LEU 258  56.085   9.186   8.525
   83   3HD2  LEU 258          3HD2      LEU 258  56.547   7.536   8.947
   84    H    VAL 259           H        VAL 259  52.373  10.107   4.555
   85    HA   VAL 259           HA       VAL 259  50.021   8.715   5.588
   86    HB   VAL 259           HB       VAL 259  50.556  11.513   4.611
   87   1HG1  VAL 259          1HG1      VAL 259  47.934  10.071   4.940
   88   2HG1  VAL 259          2HG1      VAL 259  48.434  11.185   3.667
   89   3HG1  VAL 259          3HG1      VAL 259  48.042  11.800   5.273
   90   1HG2  VAL 259          1HG2      VAL 259  49.123  10.851   7.133
   91   2HG2  VAL 259          2HG2      VAL 259  50.344  12.085   6.825
   92   3HG2  VAL 259          3HG2      VAL 259  50.828  10.406   7.062
   93    H    PHE 260           H        PHE 260  51.463   9.680   2.544
   94    HA   PHE 260           HA       PHE 260  49.398   9.550   0.753
   95   1HB   PHE 260          1HB       PHE 260  52.275   8.929   0.662
   96   2HB   PHE 260          2HB       PHE 260  51.315   8.144  -0.591
   97    HD1  PHE 260           HD1      PHE 260  49.453   9.748  -1.684
   98    HD2  PHE 260           HD2      PHE 260  53.074  11.076   0.206
   99    HE1  PHE 260           HE1      PHE 260  49.327  11.883  -2.939
  100    HE2  PHE 260           HE2      PHE 260  52.949  13.208  -1.047
  101    HZ   PHE 260           HZ       PHE 260  51.073  13.614  -2.620
  102    H    GLY 261           H        GLY 261  51.178   6.801   2.138
  103   1HA   GLY 261          1HA       GLY 261  49.701   4.797   0.745
  104   2HA   GLY 261          2HA       GLY 261  50.722   4.540   2.157
  105    H    GLU 262           H        GLU 262  48.991   6.785   3.432
  106    HA   GLU 262           HA       GLU 262  47.019   4.934   4.551
  107   1HB   GLU 262          1HB       GLU 262  47.677   7.769   5.385
  108   2HB   GLU 262          2HB       GLU 262  46.714   6.600   6.289
  109   1HG   GLU 262          1HG       GLU 262  48.724   5.089   6.342
  110   2HG   GLU 262          2HG       GLU 262  49.661   6.395   5.620
  111    H    SER 263           H        SER 263  46.992   8.331   3.441
  112    HA   SER 263           HA       SER 263  44.286   8.758   3.312
  113   1HB   SER 263          1HB       SER 263  46.381   9.699   1.343
  114   2HB   SER 263          2HB       SER 263  44.759  10.369   1.487
  115    HG   SER 263           HG       SER 263  45.911  10.223   3.905
  116    H    LEU 264           H        LEU 264  46.197   6.668   1.330
  117    HA   LEU 264           HA       LEU 264  44.797   6.458  -1.025
  118   1HB   LEU 264          1HB       LEU 264  46.813   5.046   0.076
  119   2HB   LEU 264          2HB       LEU 264  45.504   3.880   0.261
  120    HG   LEU 264           HG       LEU 264  46.321   5.238  -2.326
  121   1HD1  LEU 264          1HD1      LEU 264  46.868   2.856  -2.969
  122   2HD1  LEU 264          2HD1      LEU 264  46.629   2.410  -1.280
  123   3HD1  LEU 264          3HD1      LEU 264  47.917   3.530  -1.723
  124   1HD2  LEU 264          1HD2      LEU 264  44.021   4.884  -2.578
  125   2HD2  LEU 264          2HD2      LEU 264  44.027   3.458  -1.541
  126   3HD2  LEU 264          3HD2      LEU 264  44.682   3.362  -3.175
  127    H    LEU 265           H        LEU 265  43.934   5.161   2.140
  128    HA   LEU 265           HA       LEU 265  41.580   3.814   1.115
  129   1HB   LEU 265          1HB       LEU 265  42.742   2.795   2.980
  130   2HB   LEU 265          2HB       LEU 265  42.612   4.276   3.925
  131    HG   LEU 265           HG       LEU 265  40.193   4.052   4.048
  132   1HD1  LEU 265          1HD1      LEU 265  39.501   3.161   1.990
  133   2HD1  LEU 265          2HD1      LEU 265  39.262   1.802   3.090
  134   3HD1  LEU 265          3HD1      LEU 265  40.685   1.855   2.050
  135   1HD2  LEU 265          1HD2      LEU 265  41.560   1.399   4.590
  136   2HD2  LEU 265          2HD2      LEU 265  40.038   1.935   5.302
  137   3HD2  LEU 265          3HD2      LEU 265  41.538   2.781   5.684
  138    H    ASN 266           H        ASN 266  42.316   6.678   3.078
  139    HA   ASN 266           HA       ASN 266  39.617   7.444   3.522
  140   1HB   ASN 266          1HB       ASN 266  40.581   9.002   4.814
  141   2HB   ASN 266          2HB       ASN 266  42.142   8.344   4.329
  142   1HD2  ASN 266          1HD2      ASN 266  42.993   9.266   2.145
  143   2HD2  ASN 266          2HD2      ASN 266  42.695  10.910   1.846
  144    H    ASP 267           H        ASP 267  41.793   7.802   0.852
  145    HA   ASP 267           HA       ASP 267  40.237   9.914  -0.409
  146   1HB   ASP 267          1HB       ASP 267  42.668   9.890  -0.702
  147   2HB   ASP 267          2HB       ASP 267  42.577   8.284  -1.424
  148    H    ALA 268           H        ALA 268  40.487   6.450  -0.442
  149    HA   ALA 268           HA       ALA 268  38.962   6.181  -2.912
  150   1HB   ALA 268          1HB       ALA 268  40.829   4.601  -2.220
  151   2HB   ALA 268          2HB       ALA 268  39.311   3.831  -2.685
  152   3HB   ALA 268          3HB       ALA 268  39.733   3.991  -0.980
  153    H    VAL 269           H        VAL 269  38.423   6.367   0.479
  154    HA   VAL 269           HA       VAL 269  35.796   5.103   0.340
  155    HB   VAL 269           HB       VAL 269  37.522   5.025   2.320
  156   1HG1  VAL 269          1HG1      VAL 269  37.396   6.776   3.888
  157   2HG1  VAL 269          2HG1      VAL 269  35.921   7.431   3.178
  158   3HG1  VAL 269          3HG1      VAL 269  37.463   7.626   2.344
  159   1HG2  VAL 269          1HG2      VAL 269  35.383   5.151   3.894
  160   2HG2  VAL 269          2HG2      VAL 269  35.551   3.860   2.705
  161   3HG2  VAL 269          3HG2      VAL 269  34.535   5.256   2.352
  162    H    THR 270           H        THR 270  37.091   8.099  -0.336
  163    HA   THR 270           HA       THR 270  34.778   9.638   0.577
  164    HB   THR 270           HB       THR 270  37.181  10.577  -1.004
  165    HG1  THR 270           HG1      THR 270  36.668  10.531   1.784
  166   1HG2  THR 270          1HG2      THR 270  36.506  12.786  -0.148
  167   2HG2  THR 270          2HG2      THR 270  35.128  12.049   0.671
  168   3HG2  THR 270          3HG2      THR 270  35.207  12.054  -1.090
  169    H    VAL 271           H        VAL 271  36.426   8.818  -2.472
  170    HA   VAL 271           HA       VAL 271  34.716  10.096  -4.250
  171    HB   VAL 271           HB       VAL 271  35.468   8.462  -5.914
  172   1HG1  VAL 271          1HG1      VAL 271  37.064  10.170  -4.427
  173   2HG1  VAL 271          2HG1      VAL 271  37.537   9.381  -5.931
  174   3HG1  VAL 271          3HG1      VAL 271  37.960   8.651  -4.381
  175   1HG2  VAL 271          1HG2      VAL 271  36.957   6.585  -5.104
  176   2HG2  VAL 271          2HG2      VAL 271  35.260   6.406  -4.660
  177   3HG2  VAL 271          3HG2      VAL 271  36.432   6.960  -3.462
  178    H    VAL 272           H        VAL 272  33.939   7.706  -2.043
  179    HA   VAL 272           HA       VAL 272  31.810   6.512  -3.645
  180    HB   VAL 272           HB       VAL 272  32.163   5.945  -0.733
  181   1HG1  VAL 272          1HG1      VAL 272  30.452   4.926  -2.441
  182   2HG1  VAL 272          2HG1      VAL 272  31.284   3.856  -1.313
  183   3HG1  VAL 272          3HG1      VAL 272  31.836   3.977  -2.983
  184   1HG2  VAL 272          1HG2      VAL 272  34.456   5.917  -1.430
  185   2HG2  VAL 272          2HG2      VAL 272  34.050   5.141  -2.960
  186   3HG2  VAL 272          3HG2      VAL 272  33.922   4.236  -1.452
  187    H    LEU 273           H        LEU 273  32.158   9.321  -1.980
  188    HA   LEU 273           HA       LEU 273  29.534   9.287  -0.690
  189   1HB   LEU 273          1HB       LEU 273  31.885  11.127  -0.675
  190   2HB   LEU 273          2HB       LEU 273  30.297  11.791  -0.293
  191    HG   LEU 273           HG       LEU 273  29.990  10.107   1.464
  192   1HD1  LEU 273          1HD1      LEU 273  32.507   9.048   0.255
  193   2HD1  LEU 273          2HD1      LEU 273  31.115   8.174   0.892
  194   3HD1  LEU 273          3HD1      LEU 273  32.300   8.872   1.996
  195   1HD2  LEU 273          1HD2      LEU 273  31.855  12.232   1.476
  196   2HD2  LEU 273          2HD2      LEU 273  32.631  10.902   2.336
  197   3HD2  LEU 273          3HD2      LEU 273  31.062  11.505   2.873
  198    H    TYR 274           H        TYR 274  30.976  11.950  -2.511
  199    HA   TYR 274           HA       TYR 274  28.402  12.413  -3.810
  200   1HB   TYR 274          1HB       TYR 274  29.651  14.490  -4.657
  201   2HB   TYR 274          2HB       TYR 274  29.333  14.391  -2.925
  202    HD1  TYR 274           HD1      TYR 274  31.135  13.844  -1.337
  203    HD2  TYR 274           HD2      TYR 274  31.902  14.255  -5.545
  204    HE1  TYR 274           HE1      TYR 274  33.569  13.988  -0.880
  205    HE2  TYR 274           HE2      TYR 274  34.334  14.400  -5.086
  206    HH   TYR 274           HH       TYR 274  35.930  14.028  -3.498
  207    H    LYS 275           H        LYS 275  31.816  12.214  -4.848
  208    HA   LYS 275           HA       LYS 275  31.586  12.327  -7.543
  209   1HB   LYS 275          1HB       LYS 275  33.717  11.968  -6.325
  210   2HB   LYS 275          2HB       LYS 275  33.266  10.282  -6.077
  211   1HG   LYS 275          1HG       LYS 275  33.927   9.721  -8.158
  212   2HG   LYS 275          2HG       LYS 275  32.984  11.031  -8.870
  213   1HD   LYS 275          1HD       LYS 275  35.667  11.452  -7.529
  214   2HD   LYS 275          2HD       LYS 275  35.478  11.197  -9.264
  215   1HE   LYS 275          1HE       LYS 275  34.842  13.336  -9.581
  216   2HE   LYS 275          2HE       LYS 275  33.624  13.217  -8.310
  217   1HZ   LYS 275          1HZ       LYS 275  35.996  13.249  -6.966
  218   2HZ   LYS 275          2HZ       LYS 275  34.934  14.565  -7.151
  219   3HZ   LYS 275          3HZ       LYS 275  36.241  14.367  -8.219
  220    H    LYS 276           H        LYS 276  31.479   9.205  -5.807
  221    HA   LYS 276           HA       LYS 276  29.849   8.126  -8.019
  222   1HB   LYS 276          1HB       LYS 276  32.066   7.041  -7.536
  223   2HB   LYS 276          2HB       LYS 276  31.434   6.582  -5.957
  224   1HG   LYS 276          1HG       LYS 276  29.509   5.462  -7.161
  225   2HG   LYS 276          2HG       LYS 276  30.380   5.744  -8.668
  226   1HD   LYS 276          1HD       LYS 276  31.373   4.141  -6.290
  227   2HD   LYS 276          2HD       LYS 276  30.869   3.491  -7.850
  228   1HE   LYS 276          1HE       LYS 276  33.325   5.103  -7.186
  229   2HE   LYS 276          2HE       LYS 276  33.207   3.574  -8.055
  230   1HZ   LYS 276          1HZ       LYS 276  31.762   5.105  -9.645
  231   2HZ   LYS 276          2HZ       LYS 276  33.445   4.943  -9.815
  232   3HZ   LYS 276          3HZ       LYS 276  32.795   6.293  -9.015
  233   1HN   NH2 277          1HN       NH2 277  30.143   6.811  -4.717
  234   2HN   NH2 277          2HN       NH2 277  28.489   6.983  -4.333
  Start of MODEL   13
    1   1H    HIS 250          1H        HIS 250  60.939  -6.788   2.434
    2   2H    HIS 250          2H        HIS 250  59.433  -6.705   1.654
    3   3H    HIS 250          3H        HIS 250  59.700  -5.832   3.087
    4    HA   HIS 250           HA       HIS 250  61.132  -5.362   0.530
    5   1HB   HIS 250          1HB       HIS 250  58.497  -4.666   1.255
    6   2HB   HIS 250          2HB       HIS 250  59.454  -3.199   1.466
    7    HD2  HIS 250           HD2      HIS 250  61.478  -3.424  -1.083
    8    HE1  HIS 250           HE1      HIS 250  58.001  -3.938  -3.420
    9    HE2  HIS 250           HE2      HIS 250  60.471  -3.356  -3.490
   10    H    ILE 251           H        ILE 251  62.274  -3.264   0.616
   11    HA   ILE 251           HA       ILE 251  63.754  -3.029   3.087
   12    HB   ILE 251           HB       ILE 251  63.979  -1.194   0.707
   13   1HG1  ILE 251          1HG1      ILE 251  64.043  -3.400  -0.251
   14   2HG1  ILE 251          2HG1      ILE 251  65.718  -2.870  -0.095
   15   1HG2  ILE 251          1HG2      ILE 251  65.947  -0.557   1.652
   16   2HG2  ILE 251          2HG2      ILE 251  66.347  -2.201   2.150
   17   3HG2  ILE 251          3HG2      ILE 251  65.257  -1.222   3.132
   18   1HD1  ILE 251          1HD1      ILE 251  64.210  -4.837   1.627
   19   2HD1  ILE 251          2HD1      ILE 251  65.683  -4.055   2.200
   20   3HD1  ILE 251          3HD1      ILE 251  65.728  -5.076   0.762
   21    H    ASN 252           H        ASN 252  63.990  -0.026   2.192
   22    HA   ASN 252           HA       ASN 252  62.500   1.070   4.306
   23   1HB   ASN 252          1HB       ASN 252  63.937   2.165   1.932
   24   2HB   ASN 252          2HB       ASN 252  62.839   3.234   2.805
   25   1HD2  ASN 252          1HD2      ASN 252  64.968   0.624   4.079
   26   2HD2  ASN 252          2HD2      ASN 252  65.838   1.645   5.121
   27    H    GLU 253           H        GLU 253  61.369  -0.251   1.494
   28    HA   GLU 253           HA       GLU 253  59.165   1.618   1.083
   29   1HB   GLU 253          1HB       GLU 253  59.423  -1.070  -0.239
   30   2HB   GLU 253          2HB       GLU 253  58.669   0.400  -0.856
   31   1HG   GLU 253          1HG       GLU 253  61.636  -0.060  -0.430
   32   2HG   GLU 253          2HG       GLU 253  60.807   0.067  -1.981
   33    H    LEU 254           H        LEU 254  59.833  -1.372   2.711
   34    HA   LEU 254           HA       LEU 254  57.478  -2.699   2.913
   35   1HB   LEU 254          1HB       LEU 254  59.490  -3.370   4.139
   36   2HB   LEU 254          2HB       LEU 254  59.299  -1.995   5.227
   37    HG   LEU 254           HG       LEU 254  56.863  -3.606   4.996
   38   1HD1  LEU 254          1HD1      LEU 254  57.735  -5.504   6.322
   39   2HD1  LEU 254          2HD1      LEU 254  59.369  -4.858   6.164
   40   3HD1  LEU 254          3HD1      LEU 254  58.501  -5.425   4.736
   41   1HD2  LEU 254          1HD2      LEU 254  57.345  -1.819   6.689
   42   2HD2  LEU 254          2HD2      LEU 254  58.599  -2.856   7.368
   43   3HD2  LEU 254          3HD2      LEU 254  56.912  -3.365   7.421
   44    H    LEU 255           H        LEU 255  58.174   0.476   4.174
   45    HA   LEU 255           HA       LEU 255  55.674   0.560   5.692
   46   1HB   LEU 255          1HB       LEU 255  56.567   3.037   5.982
   47   2HB   LEU 255          2HB       LEU 255  57.260   1.709   6.912
   48    HG   LEU 255           HG       LEU 255  58.431   2.270   4.222
   49   1HD1  LEU 255          1HD1      LEU 255  59.992   3.916   5.456
   50   2HD1  LEU 255          2HD1      LEU 255  58.709   4.029   6.661
   51   3HD1  LEU 255          3HD1      LEU 255  58.397   4.510   4.993
   52   1HD2  LEU 255          1HD2      LEU 255  59.040   0.451   6.050
   53   2HD2  LEU 255          2HD2      LEU 255  59.926   1.790   6.781
   54   3HD2  LEU 255          3HD2      LEU 255  60.318   1.262   5.145
   55    H    HIS 256           H        HIS 256  57.140   1.922   2.788
   56    HA   HIS 256           HA       HIS 256  55.361   3.910   2.108
   57   1HB   HIS 256          1HB       HIS 256  56.812   1.896   0.393
   58   2HB   HIS 256          2HB       HIS 256  55.834   3.189  -0.302
   59    HD2  HIS 256           HD2      HIS 256  57.499   4.557   2.812
   60    HE1  HIS 256           HE1      HIS 256  60.131   5.487  -0.354
   61    HE2  HIS 256           HE2      HIS 256  59.589   5.943   2.083
   62    H    ILE 257           H        ILE 257  55.100   0.511   1.036
   63    HA   ILE 257           HA       ILE 257  52.577   0.695  -0.124
   64    HB   ILE 257           HB       ILE 257  52.441  -1.748   0.197
   65   1HG1  ILE 257          1HG1      ILE 257  54.869  -2.437   1.344
   66   2HG1  ILE 257          2HG1      ILE 257  54.327  -1.091   2.348
   67   1HG2  ILE 257          1HG2      ILE 257  53.850  -1.834  -1.555
   68   2HG2  ILE 257          2HG2      ILE 257  55.222  -1.774  -0.450
   69   3HG2  ILE 257          3HG2      ILE 257  54.535  -0.278  -1.085
   70   1HD1  ILE 257          1HD1      ILE 257  52.133  -2.215   2.638
   71   2HD1  ILE 257          2HD1      ILE 257  53.461  -3.205   3.242
   72   3HD1  ILE 257          3HD1      ILE 257  52.720  -3.576   1.684
   73    H    LEU 258           H        LEU 258  53.496   0.578   3.221
   74    HA   LEU 258           HA       LEU 258  50.985  -0.268   4.281
   75   1HB   LEU 258          1HB       LEU 258  53.399  -0.077   5.376
   76   2HB   LEU 258          2HB       LEU 258  52.793   1.510   5.854
   77    HG   LEU 258           HG       LEU 258  51.443  -1.150   6.408
   78   1HD1  LEU 258          1HD1      LEU 258  53.528   0.191   7.758
   79   2HD1  LEU 258          2HD1      LEU 258  52.566  -1.160   8.360
   80   3HD1  LEU 258          3HD1      LEU 258  52.070   0.498   8.701
   81   1HD2  LEU 258          1HD2      LEU 258  50.644   1.724   6.874
   82   2HD2  LEU 258          2HD2      LEU 258  50.010   0.428   7.886
   83   3HD2  LEU 258          3HD2      LEU 258  49.696   0.426   6.150
   84    H    VAL 259           H        VAL 259  52.535   2.952   4.282
   85    HA   VAL 259           HA       VAL 259  50.246   4.366   5.119
   86    HB   VAL 259           HB       VAL 259  52.530   5.400   3.419
   87   1HG1  VAL 259          1HG1      VAL 259  50.631   6.770   5.347
   88   2HG1  VAL 259          2HG1      VAL 259  50.601   6.926   3.591
   89   3HG1  VAL 259          3HG1      VAL 259  51.973   7.548   4.510
   90   1HG2  VAL 259          1HG2      VAL 259  53.331   4.230   5.448
   91   2HG2  VAL 259          2HG2      VAL 259  52.248   5.213   6.436
   92   3HG2  VAL 259          3HG2      VAL 259  53.587   5.971   5.573
   93    H    PHE 260           H        PHE 260  51.561   3.775   1.860
   94    HA   PHE 260           HA       PHE 260  49.836   5.251   0.316
   95   1HB   PHE 260          1HB       PHE 260  51.444   2.836  -0.071
   96   2HB   PHE 260          2HB       PHE 260  50.030   2.907  -1.124
   97    HD1  PHE 260           HD1      PHE 260  53.356   4.111  -0.564
   98    HD2  PHE 260           HD2      PHE 260  49.603   5.124  -2.393
   99    HE1  PHE 260           HE1      PHE 260  54.503   5.786  -1.987
  100    HE2  PHE 260           HE2      PHE 260  50.751   6.799  -3.817
  101    HZ   PHE 260           HZ       PHE 260  53.201   7.131  -3.614
  102    H    GLY 261           H        GLY 261  49.025   2.708   2.415
  103   1HA   GLY 261          1HA       GLY 261  46.473   2.178   1.043
  104   2HA   GLY 261          2HA       GLY 261  47.159   1.213   2.348
  105    H    GLU 262           H        GLU 262  47.872   3.758   3.795
  106    HA   GLU 262           HA       GLU 262  45.278   4.097   5.106
  107   1HB   GLU 262          1HB       GLU 262  46.440   4.649   7.009
  108   2HB   GLU 262          2HB       GLU 262  47.673   3.681   6.202
  109   1HG   GLU 262          1HG       GLU 262  48.465   5.892   5.139
  110   2HG   GLU 262          2HG       GLU 262  47.467   6.692   6.354
  111    H    SER 263           H        SER 263  47.566   5.842   3.144
  112    HA   SER 263           HA       SER 263  46.405   8.440   3.674
  113   1HB   SER 263          1HB       SER 263  48.697   8.518   3.125
  114   2HB   SER 263          2HB       SER 263  48.498   7.412   1.768
  115    HG   SER 263           HG       SER 263  48.581   9.400   0.867
  116    H    LEU 264           H        LEU 264  46.671   6.428   0.731
  117    HA   LEU 264           HA       LEU 264  44.794   7.910  -0.770
  118   1HB   LEU 264          1HB       LEU 264  45.921   5.131  -0.990
  119   2HB   LEU 264          2HB       LEU 264  44.645   5.661  -2.080
  120    HG   LEU 264           HG       LEU 264  46.988   6.018  -2.965
  121   1HD1  LEU 264          1HD1      LEU 264  44.757   7.716  -3.099
  122   2HD1  LEU 264          2HD1      LEU 264  46.147   7.720  -4.181
  123   3HD1  LEU 264          3HD1      LEU 264  46.119   8.789  -2.779
  124   1HD2  LEU 264          1HD2      LEU 264  47.878   6.650  -0.661
  125   2HD2  LEU 264          2HD2      LEU 264  47.117   8.224  -0.897
  126   3HD2  LEU 264          3HD2      LEU 264  48.394   7.689  -1.989
  127    H    LEU 265           H        LEU 265  44.285   6.215   1.985
  128    HA   LEU 265           HA       LEU 265  41.946   4.721   1.467
  129   1HB   LEU 265          1HB       LEU 265  43.337   4.558   3.544
  130   2HB   LEU 265          2HB       LEU 265  42.711   6.128   4.036
  131    HG   LEU 265           HG       LEU 265  40.396   5.207   3.934
  132   1HD1  LEU 265          1HD1      LEU 265  41.912   2.810   2.995
  133   2HD1  LEU 265          2HD1      LEU 265  40.320   3.392   2.512
  134   3HD1  LEU 265          3HD1      LEU 265  40.520   2.537   4.041
  135   1HD2  LEU 265          1HD2      LEU 265  41.004   5.082   6.128
  136   2HD2  LEU 265          2HD2      LEU 265  42.530   4.275   5.760
  137   3HD2  LEU 265          3HD2      LEU 265  41.032   3.346   5.820
  138    H    ASN 266           H        ASN 266  42.203   7.895   3.087
  139    HA   ASN 266           HA       ASN 266  39.549   8.582   3.173
  140   1HB   ASN 266          1HB       ASN 266  41.656  10.595   2.403
  141   2HB   ASN 266          2HB       ASN 266  40.227  10.832   3.407
  142   1HD2  ASN 266          1HD2      ASN 266  43.459   9.316   3.364
  143   2HD2  ASN 266          2HD2      ASN 266  43.593   9.185   5.051
  144    H    ASP 267           H        ASP 267  41.626   8.427   0.389
  145    HA   ASP 267           HA       ASP 267  39.826   9.934  -1.317
  146   1HB   ASP 267          1HB       ASP 267  42.314   9.909  -1.636
  147   2HB   ASP 267          2HB       ASP 267  42.186   8.215  -2.109
  148    H    ALA 268           H        ALA 268  40.440   6.604  -0.469
  149    HA   ALA 268           HA       ALA 268  38.797   5.584  -2.654
  150   1HB   ALA 268          1HB       ALA 268  40.442   4.032  -2.288
  151   2HB   ALA 268          2HB       ALA 268  39.237   3.407  -1.162
  152   3HB   ALA 268          3HB       ALA 268  40.564   4.406  -0.569
  153    H    VAL 269           H        VAL 269  38.732   5.496   0.916
  154    HA   VAL 269           HA       VAL 269  36.355   4.262   1.403
  155    HB   VAL 269           HB       VAL 269  38.031   5.450   3.023
  156   1HG1  VAL 269          1HG1      VAL 269  35.867   7.546   3.004
  157   2HG1  VAL 269          2HG1      VAL 269  37.287   7.716   1.973
  158   3HG1  VAL 269          3HG1      VAL 269  37.476   7.625   3.724
  159   1HG2  VAL 269          1HG2      VAL 269  36.184   4.032   3.771
  160   2HG2  VAL 269          2HG2      VAL 269  35.035   5.342   3.499
  161   3HG2  VAL 269          3HG2      VAL 269  36.247   5.482   4.773
  162    H    THR 270           H        THR 270  36.809   7.243  -0.248
  163    HA   THR 270           HA       THR 270  34.010   8.036   0.072
  164    HB   THR 270           HB       THR 270  36.405   9.328  -1.227
  165    HG1  THR 270           HG1      THR 270  36.342   9.802   0.876
  166   1HG2  THR 270          1HG2      THR 270  34.583  11.237  -1.488
  167   2HG2  THR 270          2HG2      THR 270  33.483   9.861  -1.572
  168   3HG2  THR 270          3HG2      THR 270  34.794  10.013  -2.741
  169    H    VAL 271           H        VAL 271  36.043   8.131  -2.831
  170    HA   VAL 271           HA       VAL 271  34.095   7.819  -4.723
  171    HB   VAL 271           HB       VAL 271  36.959   6.897  -4.674
  172   1HG1  VAL 271          1HG1      VAL 271  34.856   6.491  -6.795
  173   2HG1  VAL 271          2HG1      VAL 271  36.058   5.345  -6.201
  174   3HG1  VAL 271          3HG1      VAL 271  36.553   6.686  -7.235
  175   1HG2  VAL 271          1HG2      VAL 271  35.534   9.004  -6.325
  176   2HG2  VAL 271          2HG2      VAL 271  37.276   8.782  -6.154
  177   3HG2  VAL 271          3HG2      VAL 271  36.320   9.344  -4.782
  178    H    VAL 272           H        VAL 272  35.301   5.414  -2.544
  179    HA   VAL 272           HA       VAL 272  34.160   3.203  -4.070
  180    HB   VAL 272           HB       VAL 272  35.466   3.224  -1.339
  181   1HG1  VAL 272          1HG1      VAL 272  34.567   1.033  -3.219
  182   2HG1  VAL 272          2HG1      VAL 272  34.120   1.263  -1.529
  183   3HG1  VAL 272          3HG1      VAL 272  35.756   0.754  -1.948
  184   1HG2  VAL 272          1HG2      VAL 272  36.631   2.325  -3.986
  185   2HG2  VAL 272          2HG2      VAL 272  37.476   2.544  -2.454
  186   3HG2  VAL 272          3HG2      VAL 272  36.881   3.948  -3.340
  187    H    LEU 273           H        LEU 273  33.318   5.309  -1.444
  188    HA   LEU 273           HA       LEU 273  31.026   3.602  -0.728
  189   1HB   LEU 273          1HB       LEU 273  32.539   4.447   1.083
  190   2HB   LEU 273          2HB       LEU 273  32.031   6.084   0.680
  191    HG   LEU 273           HG       LEU 273  29.602   4.923   0.945
  192   1HD1  LEU 273          1HD1      LEU 273  31.189   3.586   3.126
  193   2HD1  LEU 273          2HD1      LEU 273  30.940   2.774   1.580
  194   3HD1  LEU 273          3HD1      LEU 273  29.553   3.229   2.570
  195   1HD2  LEU 273          1HD2      LEU 273  29.592   5.849   3.245
  196   2HD2  LEU 273          2HD2      LEU 273  30.383   6.945   2.112
  197   3HD2  LEU 273          3HD2      LEU 273  31.352   5.951   3.202
  198    H    TYR 274           H        TYR 274  31.859   6.882  -1.794
  199    HA   TYR 274           HA       TYR 274  29.130   7.765  -1.908
  200   1HB   TYR 274          1HB       TYR 274  31.765   8.873  -2.820
  201   2HB   TYR 274          2HB       TYR 274  30.259   9.618  -3.356
  202    HD1  TYR 274           HD1      TYR 274  29.487  11.392  -2.055
  203    HD2  TYR 274           HD2      TYR 274  31.682   8.216  -0.172
  204    HE1  TYR 274           HE1      TYR 274  29.288  12.550   0.128
  205    HE2  TYR 274           HE2      TYR 274  31.482   9.373   2.011
  206    HH   TYR 274           HH       TYR 274  30.147  12.618   2.254
  207    H    LYS 275           H        LYS 275  31.323   7.957  -4.665
  208    HA   LYS 275           HA       LYS 275  29.424   7.759  -6.646
  209   1HB   LYS 275          1HB       LYS 275  32.250   6.679  -6.771
  210   2HB   LYS 275          2HB       LYS 275  31.234   7.094  -8.152
  211   1HG   LYS 275          1HG       LYS 275  31.096   9.399  -6.672
  212   2HG   LYS 275          2HG       LYS 275  32.738   8.863  -6.321
  213   1HD   LYS 275          1HD       LYS 275  33.043  10.139  -8.258
  214   2HD   LYS 275          2HD       LYS 275  32.898   8.510  -8.916
  215   1HE   LYS 275          1HE       LYS 275  30.337   9.068  -9.020
  216   2HE   LYS 275          2HE       LYS 275  30.883  10.742  -8.927
  217   1HZ   LYS 275          1HZ       LYS 275  30.902   9.011 -11.145
  218   2HZ   LYS 275          2HZ       LYS 275  32.503   9.448 -10.776
  219   3HZ   LYS 275          3HZ       LYS 275  31.339  10.649 -11.074
  220    H    LYS 276           H        LYS 276  31.153   5.108  -5.039
  221    HA   LYS 276           HA       LYS 276  29.459   3.175  -6.486
  222   1HB   LYS 276          1HB       LYS 276  31.916   2.835  -6.576
  223   2HB   LYS 276          2HB       LYS 276  31.939   2.684  -4.818
  224   1HG   LYS 276          1HG       LYS 276  30.420   0.748  -4.953
  225   2HG   LYS 276          2HG       LYS 276  30.365   0.906  -6.708
  226   1HD   LYS 276          1HD       LYS 276  32.121  -0.525  -6.727
  227   2HD   LYS 276          2HD       LYS 276  33.084   0.849  -6.183
  228   1HE   LYS 276          1HE       LYS 276  33.503  -0.926  -4.628
  229   2HE   LYS 276          2HE       LYS 276  32.436   0.215  -3.808
  230   1HZ   LYS 276          1HZ       LYS 276  31.345  -2.072  -5.321
  231   2HZ   LYS 276          2HZ       LYS 276  30.612  -1.165  -4.087
  232   3HZ   LYS 276          3HZ       LYS 276  31.858  -2.258  -3.715
  233   1HN   NH2 277          1HN       NH2 277  30.912   2.958  -3.209
  234   2HN   NH2 277          2HN       NH2 277  29.437   2.614  -2.422
  Start of MODEL   14
    1   1H    HIS 250          1H        HIS 250  35.497  -0.258 -15.428
    2   2H    HIS 250          2H        HIS 250  34.189   0.174 -14.433
    3   3H    HIS 250          3H        HIS 250  34.372  -1.434 -14.951
    4    HA   HIS 250           HA       HIS 250  35.201  -0.472 -12.574
    5   1HB   HIS 250          1HB       HIS 250  35.165  -2.884 -13.967
    6   2HB   HIS 250          2HB       HIS 250  36.863  -2.673 -13.544
    7    HD2  HIS 250           HD2      HIS 250  33.510  -2.160 -11.422
    8    HE1  HIS 250           HE1      HIS 250  36.391  -4.148  -9.059
    9    HE2  HIS 250           HE2      HIS 250  34.028  -3.217  -9.090
   10    H    ILE 251           H        ILE 251  36.491   1.316 -12.434
   11    HA   ILE 251           HA       ILE 251  38.558   2.159 -13.984
   12    HB   ILE 251           HB       ILE 251  39.388   3.402 -12.129
   13   1HG1  ILE 251          1HG1      ILE 251  39.735   1.646 -10.486
   14   2HG1  ILE 251          2HG1      ILE 251  38.664   2.850  -9.781
   15   1HG2  ILE 251          1HG2      ILE 251  37.378   4.417 -11.298
   16   2HG2  ILE 251          2HG2      ILE 251  36.453   2.937 -11.555
   17   3HG2  ILE 251          3HG2      ILE 251  37.036   3.864 -12.938
   18   1HD1  ILE 251          1HD1      ILE 251  37.638   0.794  -9.243
   19   2HD1  ILE 251          2HD1      ILE 251  37.958   0.113 -10.834
   20   3HD1  ILE 251          3HD1      ILE 251  36.729   1.362 -10.640
   21    H    ASN 252           H        ASN 252  40.935   2.122 -13.548
   22    HA   ASN 252           HA       ASN 252  41.792  -0.663 -13.252
   23   1HB   ASN 252          1HB       ASN 252  43.012   1.809 -14.441
   24   2HB   ASN 252          2HB       ASN 252  44.028   0.431 -14.026
   25   1HD2  ASN 252          1HD2      ASN 252  40.901   1.048 -15.735
   26   2HD2  ASN 252          2HD2      ASN 252  41.191  -0.087 -16.964
   27    H    GLU 253           H        GLU 253  42.426   2.543 -11.884
   28    HA   GLU 253           HA       GLU 253  44.541   2.097 -10.223
   29   1HB   GLU 253          1HB       GLU 253  43.468   3.726  -8.646
   30   2HB   GLU 253          2HB       GLU 253  43.500   4.270 -10.323
   31   1HG   GLU 253          1HG       GLU 253  41.188   3.636 -10.641
   32   2HG   GLU 253          2HG       GLU 253  41.131   2.873  -9.054
   33    H    LEU 254           H        LEU 254  41.383   0.691 -10.002
   34    HA   LEU 254           HA       LEU 254  41.054   0.021  -7.376
   35   1HB   LEU 254          1HB       LEU 254  39.627  -0.671  -9.384
   36   2HB   LEU 254          2HB       LEU 254  40.733  -2.034  -9.562
   37    HG   LEU 254           HG       LEU 254  40.173  -2.098  -6.866
   38   1HD1  LEU 254          1HD1      LEU 254  37.780  -1.824  -6.601
   39   2HD1  LEU 254          2HD1      LEU 254  37.587  -1.465  -8.317
   40   3HD1  LEU 254          3HD1      LEU 254  38.430  -0.326  -7.268
   41   1HD2  LEU 254          1HD2      LEU 254  38.583  -3.975  -7.549
   42   2HD2  LEU 254          2HD2      LEU 254  40.209  -4.074  -8.225
   43   3HD2  LEU 254          3HD2      LEU 254  38.873  -3.492  -9.220
   44    H    LEU 255           H        LEU 255  43.584  -0.992  -9.493
   45    HA   LEU 255           HA       LEU 255  44.432  -3.165  -7.732
   46   1HB   LEU 255          1HB       LEU 255  45.097  -2.250 -10.474
   47   2HB   LEU 255          2HB       LEU 255  46.406  -3.000  -9.560
   48    HG   LEU 255           HG       LEU 255  45.009  -4.967  -9.123
   49   1HD1  LEU 255          1HD1      LEU 255  42.796  -4.275  -9.001
   50   2HD1  LEU 255          2HD1      LEU 255  42.822  -4.974 -10.620
   51   3HD1  LEU 255          3HD1      LEU 255  42.938  -3.226 -10.413
   52   1HD2  LEU 255          1HD2      LEU 255  44.743  -5.737 -11.513
   53   2HD2  LEU 255          2HD2      LEU 255  46.324  -5.041 -11.158
   54   3HD2  LEU 255          3HD2      LEU 255  45.118  -4.091 -12.025
   55    H    HIS 256           H        HIS 256  45.283   0.123  -8.581
   56    HA   HIS 256           HA       HIS 256  47.847   0.120  -7.301
   57   1HB   HIS 256          1HB       HIS 256  46.014   2.223  -8.401
   58   2HB   HIS 256          2HB       HIS 256  47.379   2.698  -7.389
   59    HD2  HIS 256           HD2      HIS 256  47.353  -0.066 -10.266
   60    HE1  HIS 256           HE1      HIS 256  50.420   2.730 -11.042
   61    HE2  HIS 256           HE2      HIS 256  49.339   0.574 -11.837
   62    H    ILE 257           H        ILE 257  44.807   1.786  -6.417
   63    HA   ILE 257           HA       ILE 257  45.539   2.574  -3.859
   64    HB   ILE 257           HB       ILE 257  42.753   1.631  -4.522
   65   1HG1  ILE 257          1HG1      ILE 257  43.397   2.912  -6.450
   66   2HG1  ILE 257          2HG1      ILE 257  42.451   3.992  -5.426
   67   1HG2  ILE 257          1HG2      ILE 257  42.143   3.529  -3.075
   68   2HG2  ILE 257          2HG2      ILE 257  43.848   3.937  -2.881
   69   3HG2  ILE 257          3HG2      ILE 257  43.223   2.423  -2.227
   70   1HD1  ILE 257          1HD1      ILE 257  44.716   4.704  -4.409
   71   2HD1  ILE 257          2HD1      ILE 257  44.338   5.284  -6.030
   72   3HD1  ILE 257          3HD1      ILE 257  45.442   3.927  -5.815
   73    H    LEU 258           H        LEU 258  44.657  -0.569  -5.045
   74    HA   LEU 258           HA       LEU 258  44.010  -1.759  -2.535
   75   1HB   LEU 258          1HB       LEU 258  44.291  -2.605  -5.296
   76   2HB   LEU 258          2HB       LEU 258  44.991  -3.785  -4.188
   77    HG   LEU 258           HG       LEU 258  42.903  -3.808  -2.878
   78   1HD1  LEU 258          1HD1      LEU 258  41.567  -1.998  -3.018
   79   2HD1  LEU 258          2HD1      LEU 258  41.063  -2.574  -4.607
   80   3HD1  LEU 258          3HD1      LEU 258  42.399  -1.431  -4.467
   81   1HD2  LEU 258          1HD2      LEU 258  42.905  -5.495  -4.521
   82   2HD2  LEU 258          2HD2      LEU 258  42.792  -4.334  -5.845
   83   3HD2  LEU 258          3HD2      LEU 258  41.387  -4.651  -4.827
   84    H    VAL 259           H        VAL 259  46.877  -0.516  -3.634
   85    HA   VAL 259           HA       VAL 259  48.606  -2.546  -2.444
   86    HB   VAL 259           HB       VAL 259  49.300   0.139  -3.661
   87   1HG1  VAL 259          1HG1      VAL 259  51.039  -0.649  -2.152
   88   2HG1  VAL 259          2HG1      VAL 259  51.576  -0.903  -3.812
   89   3HG1  VAL 259          3HG1      VAL 259  50.972  -2.262  -2.862
   90   1HG2  VAL 259          1HG2      VAL 259  48.197  -1.603  -5.175
   91   2HG2  VAL 259          2HG2      VAL 259  49.606  -2.618  -4.876
   92   3HG2  VAL 259          3HG2      VAL 259  49.796  -1.058  -5.676
   93    H    PHE 260           H        PHE 260  48.864   0.971  -2.107
   94    HA   PHE 260           HA       PHE 260  49.657   0.716   0.649
   95   1HB   PHE 260          1HB       PHE 260  49.199   3.393   0.262
   96   2HB   PHE 260          2HB       PHE 260  50.720   2.570  -0.086
   97    HD1  PHE 260           HD1      PHE 260  47.827   4.246  -1.491
   98    HD2  PHE 260           HD2      PHE 260  51.146   1.680  -2.410
   99    HE1  PHE 260           HE1      PHE 260  47.555   4.758  -3.902
  100    HE2  PHE 260           HE2      PHE 260  50.874   2.192  -4.821
  101    HZ   PHE 260           HZ       PHE 260  49.078   3.732  -5.568
  102    H    GLY 261           H        GLY 261  47.098   2.753  -0.777
  103   1HA   GLY 261          1HA       GLY 261  45.110   3.498   0.135
  104   2HA   GLY 261          2HA       GLY 261  44.870   1.789   0.488
  105    H    GLU 262           H        GLU 262  47.517   3.556   1.906
  106    HA   GLU 262           HA       GLU 262  46.406   3.069   4.563
  107   1HB   GLU 262          1HB       GLU 262  49.103   4.179   3.746
  108   2HB   GLU 262          2HB       GLU 262  48.630   3.688   5.373
  109   1HG   GLU 262          1HG       GLU 262  47.991   1.444   3.971
  110   2HG   GLU 262          2HG       GLU 262  49.371   2.024   3.041
  111    H    SER 263           H        SER 263  47.731   5.811   2.707
  112    HA   SER 263           HA       SER 263  46.659   7.693   4.666
  113   1HB   SER 263          1HB       SER 263  48.790   7.714   2.741
  114   2HB   SER 263          2HB       SER 263  47.710   9.070   2.435
  115    HG   SER 263           HG       SER 263  47.856   9.334   4.842
  116    H    LEU 264           H        LEU 264  46.028   6.517   1.435
  117    HA   LEU 264           HA       LEU 264  44.189   8.575   0.686
  118   1HB   LEU 264          1HB       LEU 264  44.206   5.766  -0.408
  119   2HB   LEU 264          2HB       LEU 264  43.747   7.258  -1.228
  120    HG   LEU 264           HG       LEU 264  46.528   6.420  -0.371
  121   1HD1  LEU 264          1HD1      LEU 264  46.958   6.754  -2.825
  122   2HD1  LEU 264          2HD1      LEU 264  45.227   7.007  -3.045
  123   3HD1  LEU 264          3HD1      LEU 264  45.825   5.447  -2.478
  124   1HD2  LEU 264          1HD2      LEU 264  47.114   8.657  -1.537
  125   2HD2  LEU 264          2HD2      LEU 264  46.469   8.741   0.102
  126   3HD2  LEU 264          3HD2      LEU 264  45.423   9.081  -1.276
  127    H    LEU 265           H        LEU 265  43.965   6.466   3.139
  128    HA   LEU 265           HA       LEU 265  41.669   5.037   3.089
  129   1HB   LEU 265          1HB       LEU 265  41.414   5.453   5.460
  130   2HB   LEU 265          2HB       LEU 265  43.134   5.351   5.086
  131    HG   LEU 265           HG       LEU 265  42.587   8.036   4.702
  132   1HD1  LEU 265          1HD1      LEU 265  40.343   7.737   5.698
  133   2HD1  LEU 265          2HD1      LEU 265  41.364   8.742   6.725
  134   3HD1  LEU 265          3HD1      LEU 265  41.080   7.053   7.147
  135   1HD2  LEU 265          1HD2      LEU 265  43.652   6.485   7.073
  136   2HD2  LEU 265          2HD2      LEU 265  43.690   8.247   7.008
  137   3HD2  LEU 265          3HD2      LEU 265  44.572   7.302   5.808
  138    H    ASN 266           H        ASN 266  41.928   8.477   2.812
  139    HA   ASN 266           HA       ASN 266  39.067   8.891   3.259
  140   1HB   ASN 266          1HB       ASN 266  40.080  11.287   2.363
  141   2HB   ASN 266          2HB       ASN 266  39.946  10.810   4.055
  142   1HD2  ASN 266          1HD2      ASN 266  42.226  10.514   1.275
  143   2HD2  ASN 266          2HD2      ASN 266  43.625  10.578   2.233
  144    H    ASP 267           H        ASP 267  41.452   8.943   0.658
  145    HA   ASP 267           HA       ASP 267  39.424   9.670  -1.314
  146   1HB   ASP 267          1HB       ASP 267  41.556  10.702  -1.643
  147   2HB   ASP 267          2HB       ASP 267  42.396   9.159  -1.495
  148    H    ALA 268           H        ALA 268  40.405   6.890   0.204
  149    HA   ALA 268           HA       ALA 268  40.158   5.138  -2.123
  150   1HB   ALA 268          1HB       ALA 268  40.334   4.131   0.691
  151   2HB   ALA 268          2HB       ALA 268  41.759   4.860  -0.049
  152   3HB   ALA 268          3HB       ALA 268  41.008   3.445  -0.787
  153    H    VAL 269           H        VAL 269  38.540   5.604   1.021
  154    HA   VAL 269           HA       VAL 269  36.491   3.808   0.863
  155    HB   VAL 269           HB       VAL 269  36.651   6.591   1.970
  156   1HG1  VAL 269          1HG1      VAL 269  34.348   6.001   3.015
  157   2HG1  VAL 269          2HG1      VAL 269  34.182   4.888   1.657
  158   3HG1  VAL 269          3HG1      VAL 269  34.372   6.617   1.363
  159   1HG2  VAL 269          1HG2      VAL 269  35.989   3.960   3.308
  160   2HG2  VAL 269          2HG2      VAL 269  36.571   5.442   4.064
  161   3HG2  VAL 269          3HG2      VAL 269  37.649   4.491   3.043
  162    H    THR 270           H        THR 270  36.400   7.119  -0.466
  163    HA   THR 270           HA       THR 270  33.891   7.010  -1.661
  164    HB   THR 270           HB       THR 270  34.477   8.961  -2.758
  165    HG1  THR 270           HG1      THR 270  36.184   9.059  -3.974
  166   1HG2  THR 270          1HG2      THR 270  36.855   8.996  -0.942
  167   2HG2  THR 270          2HG2      THR 270  35.253   8.807  -0.227
  168   3HG2  THR 270          3HG2      THR 270  35.623  10.233  -1.197
  169    H    VAL 271           H        VAL 271  36.534   5.084  -2.331
  170    HA   VAL 271           HA       VAL 271  35.536   4.482  -5.055
  171    HB   VAL 271           HB       VAL 271  38.341   3.987  -4.052
  172   1HG1  VAL 271          1HG1      VAL 271  37.420   2.665  -6.004
  173   2HG1  VAL 271          2HG1      VAL 271  38.841   3.639  -6.384
  174   3HG1  VAL 271          3HG1      VAL 271  37.237   4.192  -6.866
  175   1HG2  VAL 271          1HG2      VAL 271  38.949   6.001  -5.393
  176   2HG2  VAL 271          2HG2      VAL 271  37.916   6.401  -4.021
  177   3HG2  VAL 271          3HG2      VAL 271  37.233   6.322  -5.645
  178    H    VAL 272           H        VAL 272  37.267   3.037  -2.287
  179    HA   VAL 272           HA       VAL 272  36.781   0.354  -3.027
  180    HB   VAL 272           HB       VAL 272  37.176   1.378  -0.212
  181   1HG1  VAL 272          1HG1      VAL 272  37.838  -1.226  -1.622
  182   2HG1  VAL 272          2HG1      VAL 272  36.603  -0.991  -0.383
  183   3HG1  VAL 272          3HG1      VAL 272  38.310  -0.831   0.032
  184   1HG2  VAL 272          1HG2      VAL 272  39.653   0.789  -0.901
  185   2HG2  VAL 272          2HG2      VAL 272  38.986   2.370  -1.310
  186   3HG2  VAL 272          3HG2      VAL 272  39.065   1.103  -2.534
  187    H    LEU 273           H        LEU 273  34.873   2.696  -1.252
  188    HA   LEU 273           HA       LEU 273  32.966   0.698  -0.348
  189   1HB   LEU 273          1HB       LEU 273  33.540   2.736   1.004
  190   2HB   LEU 273          2HB       LEU 273  32.754   3.714  -0.232
  191    HG   LEU 273           HG       LEU 273  30.650   2.413   0.125
  192   1HD1  LEU 273          1HD1      LEU 273  30.772   1.251   2.538
  193   2HD1  LEU 273          2HD1      LEU 273  32.442   0.984   2.042
  194   3HD1  LEU 273          3HD1      LEU 273  31.120   0.359   1.058
  195   1HD2  LEU 273          1HD2      LEU 273  30.907   4.538   1.261
  196   2HD2  LEU 273          2HD2      LEU 273  31.881   3.792   2.528
  197   3HD2  LEU 273          3HD2      LEU 273  30.167   3.401   2.389
  198    H    TYR 274           H        TYR 274  33.391   2.890  -2.999
  199    HA   TYR 274           HA       TYR 274  30.688   3.056  -3.859
  200   1HB   TYR 274          1HB       TYR 274  33.361   3.605  -5.059
  201   2HB   TYR 274          2HB       TYR 274  31.986   3.440  -6.150
  202    HD1  TYR 274           HD1      TYR 274  31.254   5.564  -6.801
  203    HD2  TYR 274           HD2      TYR 274  32.328   4.872  -2.699
  204    HE1  TYR 274           HE1      TYR 274  30.521   7.862  -6.220
  205    HE2  TYR 274           HE2      TYR 274  31.594   7.168  -2.119
  206    HH   TYR 274           HH       TYR 274  31.323   9.376  -3.349
  207    H    LYS 275           H        LYS 275  33.397   1.152  -5.201
  208    HA   LYS 275           HA       LYS 275  31.670  -0.487  -6.794
  209   1HB   LYS 275          1HB       LYS 275  34.459  -1.278  -6.003
  210   2HB   LYS 275          2HB       LYS 275  33.618  -1.567  -7.523
  211   1HG   LYS 275          1HG       LYS 275  34.629   1.109  -6.503
  212   2HG   LYS 275          2HG       LYS 275  35.309   0.179  -7.833
  213   1HD   LYS 275          1HD       LYS 275  32.542   1.425  -7.752
  214   2HD   LYS 275          2HD       LYS 275  33.908   1.968  -8.722
  215   1HE   LYS 275          1HE       LYS 275  33.869  -0.523  -9.611
  216   2HE   LYS 275          2HE       LYS 275  32.191  -0.462  -9.075
  217   1HZ   LYS 275          1HZ       LYS 275  32.127   0.282 -11.262
  218   2HZ   LYS 275          2HZ       LYS 275  33.540   1.212 -11.101
  219   3HZ   LYS 275          3HZ       LYS 275  32.096   1.718 -10.359
  220    H    LYS 276           H        LYS 276  32.639  -0.516  -3.519
  221    HA   LYS 276           HA       LYS 276  30.936  -2.628  -2.804
  222   1HB   LYS 276          1HB       LYS 276  32.740  -4.275  -2.068
  223   2HB   LYS 276          2HB       LYS 276  32.395  -4.212  -3.795
  224   1HG   LYS 276          1HG       LYS 276  34.417  -2.258  -3.198
  225   2HG   LYS 276          2HG       LYS 276  34.897  -3.800  -2.496
  226   1HD   LYS 276          1HD       LYS 276  34.630  -4.925  -4.625
  227   2HD   LYS 276          2HD       LYS 276  33.965  -3.467  -5.360
  228   1HE   LYS 276          1HE       LYS 276  36.264  -3.551  -6.020
  229   2HE   LYS 276          2HE       LYS 276  36.161  -2.317  -4.766
  230   1HZ   LYS 276          1HZ       LYS 276  37.541  -4.833  -4.745
  231   2HZ   LYS 276          2HZ       LYS 276  36.571  -4.603  -3.368
  232   3HZ   LYS 276          3HZ       LYS 276  37.768  -3.465  -3.768
  233   1HN   NH2 277          1HN       NH2 277  34.027  -2.728  -1.183
  234   2HN   NH2 277          2HN       NH2 277  33.570  -1.762   0.146
  Start of MODEL   15
    1   1H    HIS 250          1H        HIS 250  33.557  -0.272 -12.175
    2   2H    HIS 250          2H        HIS 250  34.631  -0.779 -13.389
    3   3H    HIS 250          3H        HIS 250  34.869   0.712 -12.610
    4    HA   HIS 250           HA       HIS 250  36.163  -0.259 -11.126
    5   1HB   HIS 250          1HB       HIS 250  33.589  -0.800 -10.304
    6   2HB   HIS 250          2HB       HIS 250  34.322  -2.405 -10.311
    7    HD2  HIS 250           HD2      HIS 250  37.331  -1.606  -9.220
    8    HE1  HIS 250           HE1      HIS 250  35.293   0.130  -5.956
    9    HE2  HIS 250           HE2      HIS 250  37.543  -0.716  -6.775
   10    H    ILE 251           H        ILE 251  37.781  -1.744 -11.172
   11    HA   ILE 251           HA       ILE 251  37.418  -4.097 -12.933
   12    HB   ILE 251           HB       ILE 251  40.102  -2.874 -12.411
   13   1HG1  ILE 251          1HG1      ILE 251  39.447  -1.753 -14.783
   14   2HG1  ILE 251          2HG1      ILE 251  37.866  -1.719 -14.003
   15   1HG2  ILE 251          1HG2      ILE 251  39.171  -3.951 -15.032
   16   2HG2  ILE 251          2HG2      ILE 251  39.385  -5.105 -13.716
   17   3HG2  ILE 251          3HG2      ILE 251  40.742  -4.111 -14.246
   18   1HD1  ILE 251          1HD1      ILE 251  38.999  -0.664 -11.991
   19   2HD1  ILE 251          2HD1      ILE 251  38.962   0.345 -13.438
   20   3HD1  ILE 251          3HD1      ILE 251  40.444  -0.499 -12.988
   21    H    ASN 252           H        ASN 252  40.245  -4.779 -12.084
   22    HA   ASN 252           HA       ASN 252  39.472  -6.312  -9.715
   23   1HB   ASN 252          1HB       ASN 252  40.683  -7.917 -10.694
   24   2HB   ASN 252          2HB       ASN 252  41.106  -6.809 -11.998
   25   1HD2  ASN 252          1HD2      ASN 252  42.948  -5.169 -11.308
   26   2HD2  ASN 252          2HD2      ASN 252  44.228  -5.843 -10.418
   27    H    GLU 253           H        GLU 253  41.180  -3.503 -10.550
   28    HA   GLU 253           HA       GLU 253  43.315  -3.422  -8.778
   29   1HB   GLU 253          1HB       GLU 253  42.965  -0.941  -8.767
   30   2HB   GLU 253          2HB       GLU 253  42.986  -1.646 -10.383
   31   1HG   GLU 253          1HG       GLU 253  40.576  -1.587 -10.516
   32   2HG   GLU 253          2HG       GLU 253  40.442  -1.112  -8.825
   33    H    LEU 254           H        LEU 254  40.100  -3.881  -8.017
   34    HA   LEU 254           HA       LEU 254  39.463  -2.423  -5.808
   35   1HB   LEU 254          1HB       LEU 254  39.133  -5.401  -6.218
   36   2HB   LEU 254          2HB       LEU 254  38.352  -4.495  -4.921
   37    HG   LEU 254           HG       LEU 254  38.053  -3.363  -7.647
   38   1HD1  LEU 254          1HD1      LEU 254  36.236  -4.947  -8.210
   39   2HD1  LEU 254          2HD1      LEU 254  36.631  -5.901  -6.780
   40   3HD1  LEU 254          3HD1      LEU 254  37.791  -5.771  -8.102
   41   1HD2  LEU 254          1HD2      LEU 254  36.995  -2.412  -5.602
   42   2HD2  LEU 254          2HD2      LEU 254  36.109  -3.922  -5.383
   43   3HD2  LEU 254          3HD2      LEU 254  35.796  -2.912  -6.795
   44    H    LEU 255           H        LEU 255  42.179  -4.500  -6.120
   45    HA   LEU 255           HA       LEU 255  42.529  -4.908  -3.263
   46   1HB   LEU 255          1HB       LEU 255  44.647  -5.422  -5.333
   47   2HB   LEU 255          2HB       LEU 255  44.339  -6.277  -3.820
   48    HG   LEU 255           HG       LEU 255  42.621  -6.339  -6.314
   49   1HD1  LEU 255          1HD1      LEU 255  44.017  -8.601  -4.866
   50   2HD1  LEU 255          2HD1      LEU 255  44.748  -7.731  -6.215
   51   3HD1  LEU 255          3HD1      LEU 255  43.260  -8.645  -6.459
   52   1HD2  LEU 255          1HD2      LEU 255  41.019  -6.482  -4.628
   53   2HD2  LEU 255          2HD2      LEU 255  42.142  -7.215  -3.484
   54   3HD2  LEU 255          3HD2      LEU 255  41.471  -8.178  -4.800
   55    H    HIS 256           H        HIS 256  43.646  -2.717  -5.744
   56    HA   HIS 256           HA       HIS 256  45.969  -1.656  -4.851
   57   1HB   HIS 256          1HB       HIS 256  43.521  -0.355  -5.990
   58   2HB   HIS 256          2HB       HIS 256  44.869   0.649  -5.459
   59    HD2  HIS 256           HD2      HIS 256  46.043  -2.709  -6.931
   60    HE1  HIS 256           HE1      HIS 256  46.443   0.156 -10.006
   61    HE2  HIS 256           HE2      HIS 256  47.014  -2.217  -9.305
   62    H    ILE 257           H        ILE 257  42.965  -0.027  -3.876
   63    HA   ILE 257           HA       ILE 257  43.925   1.442  -1.792
   64    HB   ILE 257           HB       ILE 257  41.280   0.008  -1.575
   65   1HG1  ILE 257          1HG1      ILE 257  41.344   0.760  -3.857
   66   2HG1  ILE 257          2HG1      ILE 257  40.412   1.959  -2.962
   67   1HG2  ILE 257          1HG2      ILE 257  42.188   1.580   0.235
   68   2HG2  ILE 257          2HG2      ILE 257  40.590   1.965  -0.405
   69   3HG2  ILE 257          3HG2      ILE 257  42.000   2.876  -0.946
   70   1HD1  ILE 257          1HD1      ILE 257  41.909   3.247  -4.266
   71   2HD1  ILE 257          2HD1      ILE 257  43.258   2.157  -3.944
   72   3HD1  ILE 257          3HD1      ILE 257  42.650   3.210  -2.666
   73    H    LEU 258           H        LEU 258  43.563  -1.987  -1.928
   74    HA   LEU 258           HA       LEU 258  43.678  -2.393   0.937
   75   1HB   LEU 258          1HB       LEU 258  42.786  -3.929  -1.133
   76   2HB   LEU 258          2HB       LEU 258  44.374  -4.642  -0.843
   77    HG   LEU 258           HG       LEU 258  42.225  -4.198   1.254
   78   1HD1  LEU 258          1HD1      LEU 258  43.027  -6.918   0.978
   79   2HD1  LEU 258          2HD1      LEU 258  42.673  -6.306  -0.638
   80   3HD1  LEU 258          3HD1      LEU 258  41.449  -6.214   0.627
   81   1HD2  LEU 258          1HD2      LEU 258  43.954  -5.819   2.461
   82   2HD2  LEU 258          2HD2      LEU 258  44.186  -4.071   2.492
   83   3HD2  LEU 258          3HD2      LEU 258  45.094  -5.061   1.350
   84    H    VAL 259           H        VAL 259  45.892  -2.444  -1.799
   85    HA   VAL 259           HA       VAL 259  48.124  -3.662  -0.732
   86    HB   VAL 259           HB       VAL 259  48.063  -1.181  -2.467
   87   1HG1  VAL 259          1HG1      VAL 259  50.202  -3.257  -1.917
   88   2HG1  VAL 259          2HG1      VAL 259  50.283  -1.529  -1.569
   89   3HG1  VAL 259          3HG1      VAL 259  50.281  -2.094  -3.240
   90   1HG2  VAL 259          1HG2      VAL 259  48.025  -2.666  -4.339
   91   2HG2  VAL 259          2HG2      VAL 259  46.769  -3.247  -3.246
   92   3HG2  VAL 259          3HG2      VAL 259  48.325  -4.073  -3.318
   93    H    PHE 260           H        PHE 260  47.969  -0.121  -0.921
   94    HA   PHE 260           HA       PHE 260  49.755   0.169   1.320
   95   1HB   PHE 260          1HB       PHE 260  48.667   2.671   0.828
   96   2HB   PHE 260          2HB       PHE 260  50.139   2.026   0.100
   97    HD1  PHE 260           HD1      PHE 260  49.973   0.740  -2.083
   98    HD2  PHE 260           HD2      PHE 260  46.705   3.013  -0.472
   99    HE1  PHE 260           HE1      PHE 260  48.870   0.728  -4.303
  100    HE2  PHE 260           HE2      PHE 260  45.600   3.003  -2.691
  101    HZ   PHE 260           HZ       PHE 260  46.684   1.859  -4.608
  102    H    GLY 261           H        GLY 261  46.628   1.790   0.847
  103   1HA   GLY 261          1HA       GLY 261  44.849   2.132   2.267
  104   2HA   GLY 261          2HA       GLY 261  45.384   0.715   3.164
  105    H    GLU 262           H        GLU 262  47.375   3.566   2.594
  106    HA   GLU 262           HA       GLU 262  47.598   3.932   5.493
  107   1HB   GLU 262          1HB       GLU 262  49.171   4.980   3.140
  108   2HB   GLU 262          2HB       GLU 262  49.414   5.577   4.782
  109   1HG   GLU 262          1HG       GLU 262  49.916   3.301   5.555
  110   2HG   GLU 262          2HG       GLU 262  49.633   2.675   3.932
  111    H    SER 263           H        SER 263  47.972   6.513   3.154
  112    HA   SER 263           HA       SER 263  45.942   8.067   4.610
  113   1HB   SER 263          1HB       SER 263  46.989  10.023   3.512
  114   2HB   SER 263          2HB       SER 263  48.150   9.092   4.454
  115    HG   SER 263           HG       SER 263  47.974   9.509   1.737
  116    H    LEU 264           H        LEU 264  46.293   6.272   1.804
  117    HA   LEU 264           HA       LEU 264  44.813   7.860  -0.044
  118   1HB   LEU 264          1HB       LEU 264  45.570   4.958   0.118
  119   2HB   LEU 264          2HB       LEU 264  44.477   5.524  -1.141
  120    HG   LEU 264           HG       LEU 264  46.918   5.484  -1.808
  121   1HD1  LEU 264          1HD1      LEU 264  46.418   8.344  -1.992
  122   2HD1  LEU 264          2HD1      LEU 264  44.955   7.425  -2.335
  123   3HD1  LEU 264          3HD1      LEU 264  46.419   7.130  -3.268
  124   1HD2  LEU 264          1HD2      LEU 264  47.652   6.265   0.514
  125   2HD2  LEU 264          2HD2      LEU 264  47.159   7.884   0.017
  126   3HD2  LEU 264          3HD2      LEU 264  48.446   7.048  -0.851
  127    H    LEU 265           H        LEU 265  43.916   5.084   2.003
  128    HA   LEU 265           HA       LEU 265  41.338   4.629   1.350
  129   1HB   LEU 265          1HB       LEU 265  40.916   3.964   3.634
  130   2HB   LEU 265          2HB       LEU 265  42.578   3.535   3.226
  131    HG   LEU 265           HG       LEU 265  42.842   6.117   4.172
  132   1HD1  LEU 265          1HD1      LEU 265  40.968   4.688   6.065
  133   2HD1  LEU 265          2HD1      LEU 265  40.391   5.874   4.894
  134   3HD1  LEU 265          3HD1      LEU 265  41.533   6.356   6.148
  135   1HD2  LEU 265          1HD2      LEU 265  43.023   3.506   5.710
  136   2HD2  LEU 265          2HD2      LEU 265  43.806   5.017   6.171
  137   3HD2  LEU 265          3HD2      LEU 265  44.289   4.189   4.691
  138    H    ASN 266           H        ASN 266  42.577   7.561   2.715
  139    HA   ASN 266           HA       ASN 266  40.322   8.684   3.891
  140   1HB   ASN 266          1HB       ASN 266  42.609   9.906   2.356
  141   2HB   ASN 266          2HB       ASN 266  41.332  10.896   3.061
  142   1HD2  ASN 266          1HD2      ASN 266  44.124   8.886   3.808
  143   2HD2  ASN 266          2HD2      ASN 266  44.146   9.218   5.473
  144    H    ASP 267           H        ASP 267  41.416   9.330   0.551
  145    HA   ASP 267           HA       ASP 267  38.802  10.318  -0.190
  146   1HB   ASP 267          1HB       ASP 267  41.491  10.255  -1.356
  147   2HB   ASP 267          2HB       ASP 267  40.207   9.999  -2.537
  148    H    ALA 268           H        ALA 268  40.625   7.350  -0.510
  149    HA   ALA 268           HA       ALA 268  39.145   6.115  -2.561
  150   1HB   ALA 268          1HB       ALA 268  40.589   4.441  -2.178
  151   2HB   ALA 268          2HB       ALA 268  39.992   4.230  -0.533
  152   3HB   ALA 268          3HB       ALA 268  41.262   5.407  -0.866
  153    H    VAL 269           H        VAL 269  38.258   6.968   0.607
  154    HA   VAL 269           HA       VAL 269  36.472   4.932   1.329
  155    HB   VAL 269           HB       VAL 269  37.288   7.056   2.629
  156   1HG1  VAL 269          1HG1      VAL 269  34.601   8.077   1.726
  157   2HG1  VAL 269          2HG1      VAL 269  36.064   8.495   0.834
  158   3HG1  VAL 269          3HG1      VAL 269  35.904   8.955   2.529
  159   1HG2  VAL 269          1HG2      VAL 269  34.661   5.609   2.773
  160   2HG2  VAL 269          2HG2      VAL 269  34.960   6.946   3.884
  161   3HG2  VAL 269          3HG2      VAL 269  36.032   5.546   3.882
  162    H    THR 270           H        THR 270  36.385   6.778  -1.407
  163    HA   THR 270           HA       THR 270  33.466   6.968  -1.533
  164    HB   THR 270           HB       THR 270  35.682   7.957  -3.322
  165    HG1  THR 270           HG1      THR 270  34.684   8.994  -1.291
  166   1HG2  THR 270          1HG2      THR 270  33.540   9.009  -4.488
  167   2HG2  THR 270          2HG2      THR 270  32.771   7.550  -3.859
  168   3HG2  THR 270          3HG2      THR 270  34.142   7.421  -4.961
  169    H    VAL 271           H        VAL 271  35.751   6.102  -4.093
  170    HA   VAL 271           HA       VAL 271  34.213   4.496  -5.624
  171    HB   VAL 271           HB       VAL 271  37.103   3.995  -4.883
  172   1HG1  VAL 271          1HG1      VAL 271  36.657   2.040  -5.993
  173   2HG1  VAL 271          2HG1      VAL 271  36.833   3.074  -7.411
  174   3HG1  VAL 271          3HG1      VAL 271  35.226   2.697  -6.787
  175   1HG2  VAL 271          1HG2      VAL 271  36.245   6.245  -5.943
  176   2HG2  VAL 271          2HG2      VAL 271  36.094   5.277  -7.410
  177   3HG2  VAL 271          3HG2      VAL 271  37.665   5.452  -6.625
  178    H    VAL 272           H        VAL 272  36.335   3.114  -3.107
  179    HA   VAL 272           HA       VAL 272  35.326   0.532  -3.153
  180    HB   VAL 272           HB       VAL 272  36.410   2.091  -0.795
  181   1HG1  VAL 272          1HG1      VAL 272  35.858  -0.852  -1.233
  182   2HG1  VAL 272          2HG1      VAL 272  35.284   0.174   0.082
  183   3HG1  VAL 272          3HG1      VAL 272  36.987  -0.273  -0.007
  184   1HG2  VAL 272          1HG2      VAL 272  37.935   0.016  -2.316
  185   2HG2  VAL 272          2HG2      VAL 272  38.524   1.462  -1.497
  186   3HG2  VAL 272          3HG2      VAL 272  37.731   1.598  -3.067
  187    H    LEU 273           H        LEU 273  33.863   3.416  -1.929
  188    HA   LEU 273           HA       LEU 273  31.887   1.866  -0.397
  189   1HB   LEU 273          1HB       LEU 273  32.911   3.844   0.689
  190   2HB   LEU 273          2HB       LEU 273  32.273   4.863  -0.597
  191    HG   LEU 273           HG       LEU 273  29.966   4.177   0.016
  192   1HD1  LEU 273          1HD1      LEU 273  29.955   3.102   2.453
  193   2HD1  LEU 273          2HD1      LEU 273  31.497   2.442   1.913
  194   3HD1  LEU 273          3HD1      LEU 273  30.024   2.089   1.012
  195   1HD2  LEU 273          1HD2      LEU 273  29.862   5.420   2.135
  196   2HD2  LEU 273          2HD2      LEU 273  30.991   6.196   1.024
  197   3HD2  LEU 273          3HD2      LEU 273  31.600   5.211   2.355
  198    H    TYR 274           H        TYR 274  31.577   4.809  -2.359
  199    HA   TYR 274           HA       TYR 274  28.956   4.504  -3.131
  200   1HB   TYR 274          1HB       TYR 274  31.315   5.809  -4.454
  201   2HB   TYR 274          2HB       TYR 274  29.748   5.778  -5.262
  202    HD1  TYR 274           HD1      TYR 274  31.207   6.502  -1.877
  203    HD2  TYR 274           HD2      TYR 274  28.259   7.522  -4.830
  204    HE1  TYR 274           HE1      TYR 274  30.447   8.393  -0.465
  205    HE2  TYR 274           HE2      TYR 274  27.498   9.413  -3.418
  206    HH   TYR 274           HH       TYR 274  28.553  10.880  -1.588
  207    H    LYS 275           H        LYS 275  31.469   4.025  -5.571
  208    HA   LYS 275           HA       LYS 275  30.065   2.538  -7.371
  209   1HB   LYS 275          1HB       LYS 275  32.957   2.039  -6.630
  210   2HB   LYS 275          2HB       LYS 275  32.192   1.638  -8.165
  211   1HG   LYS 275          1HG       LYS 275  32.361   4.460  -7.056
  212   2HG   LYS 275          2HG       LYS 275  33.528   3.789  -8.192
  213   1HD   LYS 275          1HD       LYS 275  32.164   4.504  -9.838
  214   2HD   LYS 275          2HD       LYS 275  31.044   3.232  -9.359
  215   1HE   LYS 275          1HE       LYS 275  30.125   4.865  -7.629
  216   2HE   LYS 275          2HE       LYS 275  31.074   6.113  -8.435
  217   1HZ   LYS 275          1HZ       LYS 275  28.763   5.957  -9.241
  218   2HZ   LYS 275          2HZ       LYS 275  29.083   4.384  -9.796
  219   3HZ   LYS 275          3HZ       LYS 275  29.909   5.708 -10.466
  220    H    LYS 276           H        LYS 276  32.005   1.180  -4.700
  221    HA   LYS 276           HA       LYS 276  30.596  -1.384  -5.061
  222   1HB   LYS 276          1HB       LYS 276  33.092  -1.395  -5.120
  223   2HB   LYS 276          2HB       LYS 276  33.096  -0.800  -3.459
  224   1HG   LYS 276          1HG       LYS 276  31.823  -2.792  -2.740
  225   2HG   LYS 276          2HG       LYS 276  31.830  -3.392  -4.399
  226   1HD   LYS 276          1HD       LYS 276  33.739  -4.462  -3.793
  227   2HD   LYS 276          2HD       LYS 276  34.497  -2.879  -3.974
  228   1HE   LYS 276          1HE       LYS 276  35.056  -3.839  -1.783
  229   2HE   LYS 276          2HE       LYS 276  34.048  -2.405  -1.582
  230   1HZ   LYS 276          1HZ       LYS 276  32.293  -3.619  -0.879
  231   2HZ   LYS 276          2HZ       LYS 276  33.517  -4.689  -0.386
  232   3HZ   LYS 276          3HZ       LYS 276  32.677  -4.965  -1.838
  233   1HN   NH2 277          1HN       NH2 277  32.073  -0.022  -2.096
  234   2HN   NH2 277          2HN       NH2 277  30.649  -0.124  -1.161
  Start of MODEL   16
    1   1H    HIS 250          1H        HIS 250  39.748   8.654  -9.814
    2   2H    HIS 250          2H        HIS 250  40.267   7.203  -9.095
    3   3H    HIS 250          3H        HIS 250  39.702   7.207 -10.698
    4    HA   HIS 250           HA       HIS 250  42.276   7.246 -10.072
    5   1HB   HIS 250          1HB       HIS 250  40.622   7.847 -12.367
    6   2HB   HIS 250          2HB       HIS 250  42.077   8.843 -12.388
    7    HD2  HIS 250           HD2      HIS 250  44.421   6.905 -11.540
    8    HE1  HIS 250           HE1      HIS 250  42.772   3.990 -14.111
    9    HE2  HIS 250           HE2      HIS 250  44.852   4.671 -12.823
   10    H    ILE 251           H        ILE 251  43.818   8.615  -9.379
   11    HA   ILE 251           HA       ILE 251  43.198  11.503  -9.278
   12    HB   ILE 251           HB       ILE 251  44.721  11.327  -7.116
   13   1HG1  ILE 251          1HG1      ILE 251  44.724   8.709  -7.675
   14   2HG1  ILE 251          2HG1      ILE 251  44.736   9.297  -6.015
   15   1HG2  ILE 251          1HG2      ILE 251  41.763  10.789  -7.388
   16   2HG2  ILE 251          2HG2      ILE 251  42.570  12.299  -6.969
   17   3HG2  ILE 251          3HG2      ILE 251  42.532  10.971  -5.809
   18   1HD1  ILE 251          1HD1      ILE 251  42.143   8.741  -7.465
   19   2HD1  ILE 251          2HD1      ILE 251  42.420   8.881  -5.730
   20   3HD1  ILE 251          3HD1      ILE 251  43.013   7.472  -6.605
   21    H    ASN 252           H        ASN 252  44.449  11.290 -11.346
   22    HA   ASN 252           HA       ASN 252  47.240  10.673 -11.259
   23   1HB   ASN 252          1HB       ASN 252  47.207  11.041 -13.507
   24   2HB   ASN 252          2HB       ASN 252  45.466  10.913 -13.272
   25   1HD2  ASN 252          1HD2      ASN 252  44.549  13.251 -12.425
   26   2HD2  ASN 252          2HD2      ASN 252  45.061  14.556 -13.383
   27    H    GLU 253           H        GLU 253  45.828  12.919  -9.566
   28    HA   GLU 253           HA       GLU 253  47.632  15.143 -10.240
   29   1HB   GLU 253          1HB       GLU 253  46.094  15.905  -8.042
   30   2HB   GLU 253          2HB       GLU 253  45.813  16.361  -9.720
   31   1HG   GLU 253          1HG       GLU 253  44.390  14.375 -10.031
   32   2HG   GLU 253          2HG       GLU 253  44.684  13.895  -8.359
   33    H    LEU 254           H        LEU 254  46.839  12.811  -7.775
   34    HA   LEU 254           HA       LEU 254  48.640  13.824  -5.794
   35   1HB   LEU 254          1HB       LEU 254  46.989  11.354  -6.144
   36   2HB   LEU 254          2HB       LEU 254  48.285  11.345  -4.949
   37    HG   LEU 254           HG       LEU 254  47.350  13.285  -3.832
   38   1HD1  LEU 254          1HD1      LEU 254  46.468  14.660  -5.510
   39   2HD1  LEU 254          2HD1      LEU 254  45.006  14.029  -4.752
   40   3HD1  LEU 254          3HD1      LEU 254  45.585  13.336  -6.267
   41   1HD2  LEU 254          1HD2      LEU 254  45.103  12.360  -3.195
   42   2HD2  LEU 254          2HD2      LEU 254  46.388  11.153  -3.160
   43   3HD2  LEU 254          3HD2      LEU 254  45.257  11.195  -4.512
   44    H    LEU 255           H        LEU 255  49.495  13.006  -8.667
   45    HA   LEU 255           HA       LEU 255  51.084  10.893  -8.984
   46   1HB   LEU 255          1HB       LEU 255  50.938  13.043 -10.410
   47   2HB   LEU 255          2HB       LEU 255  52.311  13.599  -9.453
   48    HG   LEU 255           HG       LEU 255  53.220  11.152 -10.067
   49   1HD1  LEU 255          1HD1      LEU 255  51.591  11.924 -12.500
   50   2HD1  LEU 255          2HD1      LEU 255  51.081  10.692 -11.348
   51   3HD1  LEU 255          3HD1      LEU 255  52.561  10.469 -12.280
   52   1HD2  LEU 255          1HD2      LEU 255  53.305  13.705 -11.680
   53   2HD2  LEU 255          2HD2      LEU 255  54.253  12.292 -12.143
   54   3HD2  LEU 255          3HD2      LEU 255  54.527  13.065 -10.582
   55    H    HIS 256           H        HIS 256  51.676  13.435  -6.652
   56    HA   HIS 256           HA       HIS 256  54.331  12.495  -5.974
   57   1HB   HIS 256          1HB       HIS 256  52.561  14.399  -4.426
   58   2HB   HIS 256          2HB       HIS 256  54.310  14.218  -4.289
   59    HD2  HIS 256           HD2      HIS 256  51.951  15.040  -7.416
   60    HE1  HIS 256           HE1      HIS 256  55.355  17.534  -7.520
   61    HE2  HIS 256           HE2      HIS 256  53.191  16.939  -8.708
   62    H    ILE 257           H        ILE 257  51.100  12.445  -4.489
   63    HA   ILE 257           HA       ILE 257  52.010  10.715  -2.337
   64    HB   ILE 257           HB       ILE 257  49.425  12.071  -3.033
   65   1HG1  ILE 257          1HG1      ILE 257  49.709  12.963  -0.761
   66   2HG1  ILE 257          2HG1      ILE 257  51.121  11.934  -0.519
   67   1HG2  ILE 257          1HG2      ILE 257  48.584  10.865  -0.884
   68   2HG2  ILE 257          2HG2      ILE 257  49.842   9.682  -1.242
   69   3HG2  ILE 257          3HG2      ILE 257  48.550   9.975  -2.407
   70   1HD1  ILE 257          1HD1      ILE 257  50.953  13.932  -2.781
   71   2HD1  ILE 257          2HD1      ILE 257  52.386  13.109  -2.163
   72   3HD1  ILE 257          3HD1      ILE 257  51.599  14.356  -1.196
   73    H    LEU 258           H        LEU 258  49.866  10.502  -5.183
   74    HA   LEU 258           HA       LEU 258  48.716   8.076  -5.017
   75   1HB   LEU 258          1HB       LEU 258  48.536   9.437  -7.020
   76   2HB   LEU 258          2HB       LEU 258  50.234   9.157  -7.403
   77    HG   LEU 258           HG       LEU 258  48.710   6.679  -6.979
   78   1HD1  LEU 258          1HD1      LEU 258  47.541   6.822  -9.166
   79   2HD1  LEU 258          2HD1      LEU 258  48.026   8.513  -9.296
   80   3HD1  LEU 258          3HD1      LEU 258  46.929   8.007  -8.014
   81   1HD2  LEU 258          1HD2      LEU 258  49.999   5.955  -8.852
   82   2HD2  LEU 258          2HD2      LEU 258  51.066   7.030  -7.949
   83   3HD2  LEU 258          3HD2      LEU 258  50.259   7.608  -9.406
   84    H    VAL 259           H        VAL 259  52.150   8.662  -5.322
   85    HA   VAL 259           HA       VAL 259  52.973   6.061  -6.058
   86    HB   VAL 259           HB       VAL 259  54.541   7.969  -4.320
   87   1HG1  VAL 259          1HG1      VAL 259  56.445   6.954  -5.536
   88   2HG1  VAL 259          2HG1      VAL 259  55.322   5.915  -6.413
   89   3HG1  VAL 259          3HG1      VAL 259  55.512   5.735  -4.669
   90   1HG2  VAL 259          1HG2      VAL 259  53.548   8.272  -7.064
   91   2HG2  VAL 259          2HG2      VAL 259  55.303   8.401  -6.952
   92   3HG2  VAL 259          3HG2      VAL 259  54.277   9.473  -5.998
   93    H    PHE 260           H        PHE 260  53.269   7.571  -2.833
   94    HA   PHE 260           HA       PHE 260  53.525   4.998  -1.558
   95   1HB   PHE 260          1HB       PHE 260  52.916   7.235   0.212
   96   2HB   PHE 260          2HB       PHE 260  54.340   6.195   0.164
   97    HD1  PHE 260           HD1      PHE 260  56.036   6.609  -1.761
   98    HD2  PHE 260           HD2      PHE 260  53.052   9.451  -0.553
   99    HE1  PHE 260           HE1      PHE 260  57.328   8.427  -2.847
  100    HE2  PHE 260           HE2      PHE 260  54.343  11.269  -1.639
  101    HZ   PHE 260           HZ       PHE 260  56.481  10.757  -2.786
  102    H    GLY 261           H        GLY 261  51.168   7.653  -1.131
  103   1HA   GLY 261          1HA       GLY 261  48.985   7.622  -0.386
  104   2HA   GLY 261          2HA       GLY 261  48.829   6.232  -1.455
  105    H    GLU 262           H        GLU 262  49.382   7.286   1.832
  106    HA   GLU 262           HA       GLU 262  49.364   4.520   2.812
  107   1HB   GLU 262          1HB       GLU 262  49.792   7.145   4.257
  108   2HB   GLU 262          2HB       GLU 262  49.877   5.550   5.005
  109   1HG   GLU 262          1HG       GLU 262  51.976   5.236   4.256
  110   2HG   GLU 262          2HG       GLU 262  51.500   5.639   2.607
  111    H    SER 263           H        SER 263  47.632   7.588   3.360
  112    HA   SER 263           HA       SER 263  45.509   6.209   4.794
  113   1HB   SER 263          1HB       SER 263  46.352   8.477   5.466
  114   2HB   SER 263          2HB       SER 263  45.660   9.118   3.979
  115    HG   SER 263           HG       SER 263  43.871   7.569   5.256
  116    H    LEU 264           H        LEU 264  46.217   6.383   1.646
  117    HA   LEU 264           HA       LEU 264  44.152   7.384   0.193
  118   1HB   LEU 264          1HB       LEU 264  44.614   5.766  -1.500
  119   2HB   LEU 264          2HB       LEU 264  46.139   6.105  -0.689
  120    HG   LEU 264           HG       LEU 264  44.350   3.696  -0.204
  121   1HD1  LEU 264          1HD1      LEU 264  47.109   3.992  -1.422
  122   2HD1  LEU 264          2HD1      LEU 264  45.628   3.579  -2.289
  123   3HD1  LEU 264          3HD1      LEU 264  46.297   2.458  -1.102
  124   1HD2  LEU 264          1HD2      LEU 264  46.823   4.734   1.176
  125   2HD2  LEU 264          2HD2      LEU 264  46.470   3.010   1.146
  126   3HD2  LEU 264          3HD2      LEU 264  45.337   4.127   1.900
  127    H    LEU 265           H        LEU 265  43.887   4.949   2.578
  128    HA   LEU 265           HA       LEU 265  41.487   3.720   1.560
  129   1HB   LEU 265          1HB       LEU 265  41.403   2.615   3.756
  130   2HB   LEU 265          2HB       LEU 265  43.013   2.489   3.046
  131    HG   LEU 265           HG       LEU 265  43.107   4.888   4.451
  132   1HD1  LEU 265          1HD1      LEU 265  41.693   2.784   6.120
  133   2HD1  LEU 265          2HD1      LEU 265  40.953   4.275   5.535
  134   3HD1  LEU 265          3HD1      LEU 265  42.281   4.345   6.694
  135   1HD2  LEU 265          1HD2      LEU 265  44.569   3.600   5.996
  136   2HD2  LEU 265          2HD2      LEU 265  44.891   3.203   4.308
  137   3HD2  LEU 265          3HD2      LEU 265  43.947   2.099   5.310
  138    H    ASN 266           H        ASN 266  42.084   6.725   2.766
  139    HA   ASN 266           HA       ASN 266  39.638   6.965   4.347
  140   1HB   ASN 266          1HB       ASN 266  41.977   8.742   3.758
  141   2HB   ASN 266          2HB       ASN 266  40.468   9.456   4.324
  142   1HD2  ASN 266          1HD2      ASN 266  42.370   6.502   5.194
  143   2HD2  ASN 266          2HD2      ASN 266  42.308   6.789   6.865
  144    H    ASP 267           H        ASP 267  41.026   8.841   1.641
  145    HA   ASP 267           HA       ASP 267  38.630  10.067   0.867
  146   1HB   ASP 267          1HB       ASP 267  39.764  10.699  -1.139
  147   2HB   ASP 267          2HB       ASP 267  40.974  10.692   0.143
  148    H    ALA 268           H        ALA 268  39.811   6.864   0.315
  149    HA   ALA 268           HA       ALA 268  38.698   5.975  -1.987
  150   1HB   ALA 268          1HB       ALA 268  38.022   3.880  -0.536
  151   2HB   ALA 268          2HB       ALA 268  38.914   4.731   0.726
  152   3HB   ALA 268          3HB       ALA 268  39.720   4.287  -0.779
  153    H    VAL 269           H        VAL 269  36.977   7.005   0.876
  154    HA   VAL 269           HA       VAL 269  34.446   5.925   0.369
  155    HB   VAL 269           HB       VAL 269  35.235   7.188   2.441
  156   1HG1  VAL 269          1HG1      VAL 269  34.170   9.671   1.187
  157   2HG1  VAL 269          2HG1      VAL 269  35.810   9.195   0.744
  158   3HG1  VAL 269          3HG1      VAL 269  35.401   9.480   2.437
  159   1HG2  VAL 269          1HG2      VAL 269  32.983   7.965   2.957
  160   2HG2  VAL 269          2HG2      VAL 269  32.865   6.489   2.000
  161   3HG2  VAL 269          3HG2      VAL 269  32.586   8.057   1.242
  162    H    THR 270           H        THR 270  36.225   8.174  -1.419
  163    HA   THR 270           HA       THR 270  34.043   9.706  -2.491
  164    HB   THR 270           HB       THR 270  36.311  10.619  -2.466
  165    HG1  THR 270           HG1      THR 270  35.711  10.087  -5.163
  166   1HG2  THR 270          1HG2      THR 270  37.353   9.014  -4.668
  167   2HG2  THR 270          2HG2      THR 270  37.050   8.044  -3.227
  168   3HG2  THR 270          3HG2      THR 270  38.117   9.445  -3.138
  169    H    VAL 271           H        VAL 271  35.722   6.749  -3.354
  170    HA   VAL 271           HA       VAL 271  34.121   6.533  -5.820
  171    HB   VAL 271           HB       VAL 271  36.385   4.727  -4.969
  172   1HG1  VAL 271          1HG1      VAL 271  35.569   5.435  -7.773
  173   2HG1  VAL 271          2HG1      VAL 271  34.635   4.240  -6.872
  174   3HG1  VAL 271          3HG1      VAL 271  36.350   3.971  -7.179
  175   1HG2  VAL 271          1HG2      VAL 271  37.575   6.706  -5.083
  176   2HG2  VAL 271          2HG2      VAL 271  36.404   7.469  -6.159
  177   3HG2  VAL 271          3HG2      VAL 271  37.551   6.292  -6.797
  178    H    VAL 272           H        VAL 272  35.167   4.532  -3.054
  179    HA   VAL 272           HA       VAL 272  33.504   2.344  -3.482
  180    HB   VAL 272           HB       VAL 272  34.453   3.551  -0.874
  181   1HG1  VAL 272          1HG1      VAL 272  34.094   1.053  -0.178
  182   2HG1  VAL 272          2HG1      VAL 272  32.973   1.018  -1.538
  183   3HG1  VAL 272          3HG1      VAL 272  32.706   2.141  -0.204
  184   1HG2  VAL 272          1HG2      VAL 272  35.976   2.529  -2.856
  185   2HG2  VAL 272          2HG2      VAL 272  35.544   1.032  -2.029
  186   3HG2  VAL 272          3HG2      VAL 272  36.373   2.318  -1.151
  187    H    LEU 273           H        LEU 273  32.573   5.503  -2.935
  188    HA   LEU 273           HA       LEU 273  30.282   5.132  -1.281
  189   1HB   LEU 273          1HB       LEU 273  31.556   7.297  -2.691
  190   2HB   LEU 273          2HB       LEU 273  29.819   7.325  -2.996
  191    HG   LEU 273           HG       LEU 273  31.045   7.085  -0.235
  192   1HD1  LEU 273          1HD1      LEU 273  30.649   9.391  -1.970
  193   2HD1  LEU 273          2HD1      LEU 273  31.470   9.295  -0.412
  194   3HD1  LEU 273          3HD1      LEU 273  29.725   9.539  -0.475
  195   1HD2  LEU 273          1HD2      LEU 273  28.930   6.724   0.459
  196   2HD2  LEU 273          2HD2      LEU 273  28.446   6.596  -1.233
  197   3HD2  LEU 273          3HD2      LEU 273  28.363   8.153  -0.407
  198    H    TYR 274           H        TYR 274  30.215   6.135  -4.693
  199    HA   TYR 274           HA       TYR 274  27.620   4.951  -5.076
  200   1HB   TYR 274          1HB       TYR 274  27.929   5.701  -7.433
  201   2HB   TYR 274          2HB       TYR 274  28.188   6.994  -6.260
  202    HD1  TYR 274           HD1      TYR 274  29.894   4.551  -8.478
  203    HD2  TYR 274           HD2      TYR 274  30.335   8.021  -5.985
  204    HE1  TYR 274           HE1      TYR 274  32.186   4.892  -9.358
  205    HE2  TYR 274           HE2      TYR 274  32.628   8.362  -6.866
  206    HH   TYR 274           HH       TYR 274  34.080   6.053  -9.152
  207    H    LYS 275           H        LYS 275  30.937   4.186  -6.027
  208    HA   LYS 275           HA       LYS 275  30.482   2.106  -7.810
  209   1HB   LYS 275          1HB       LYS 275  32.711   3.007  -7.403
  210   2HB   LYS 275          2HB       LYS 275  32.687   2.384  -5.753
  211   1HG   LYS 275          1HG       LYS 275  33.098   0.239  -6.413
  212   2HG   LYS 275          2HG       LYS 275  32.111   0.392  -7.867
  213   1HD   LYS 275          1HD       LYS 275  34.737   1.852  -7.641
  214   2HD   LYS 275          2HD       LYS 275  34.690   0.162  -8.146
  215   1HE   LYS 275          1HE       LYS 275  32.751   1.953  -9.497
  216   2HE   LYS 275          2HE       LYS 275  34.449   2.242  -9.877
  217   1HZ   LYS 275          1HZ       LYS 275  34.387   0.495 -11.208
  218   2HZ   LYS 275          2HZ       LYS 275  32.777   0.167 -10.776
  219   3HZ   LYS 275          3HZ       LYS 275  34.055  -0.509  -9.882
  220    H    LYS 276           H        LYS 276  29.828   2.253  -4.451
  221    HA   LYS 276           HA       LYS 276  29.683  -0.674  -4.213
  222   1HB   LYS 276          1HB       LYS 276  30.820   0.527  -2.400
  223   2HB   LYS 276          2HB       LYS 276  29.370   1.491  -2.119
  224   1HG   LYS 276          1HG       LYS 276  28.144  -0.358  -1.323
  225   2HG   LYS 276          2HG       LYS 276  29.258  -1.521  -2.043
  226   1HD   LYS 276          1HD       LYS 276  30.357   0.376  -0.014
  227   2HD   LYS 276          2HD       LYS 276  29.344  -0.947   0.564
  228   1HE   LYS 276          1HE       LYS 276  31.693  -1.355  -1.303
  229   2HE   LYS 276          2HE       LYS 276  31.819  -1.481   0.453
  230   1HZ   LYS 276          1HZ       LYS 276  30.849  -3.385  -1.390
  231   2HZ   LYS 276          2HZ       LYS 276  29.610  -2.975  -0.302
  232   3HZ   LYS 276          3HZ       LYS 276  31.098  -3.552   0.279
  233   1HN   NH2 277          1HN       NH2 277  27.553   1.938  -2.935
  234   2HN   NH2 277          2HN       NH2 277  26.103   1.192  -3.438
  Start of MODEL   17
    1   1H    HIS 250          1H        HIS 250  37.127 -12.922  -7.298
    2   2H    HIS 250          2H        HIS 250  36.760 -11.296  -6.968
    3   3H    HIS 250          3H        HIS 250  35.898 -12.539  -6.195
    4    HA   HIS 250           HA       HIS 250  37.481 -12.908  -4.666
    5   1HB   HIS 250          1HB       HIS 250  39.101 -12.909  -7.047
    6   2HB   HIS 250          2HB       HIS 250  39.930 -12.010  -5.776
    7    HD2  HIS 250           HD2      HIS 250  39.711 -13.648  -3.161
    8    HE1  HIS 250           HE1      HIS 250  40.201 -17.212  -5.371
    9    HE2  HIS 250           HE2      HIS 250  40.272 -16.196  -3.044
   10    H    ILE 251           H        ILE 251  37.544 -11.477  -3.055
   11    HA   ILE 251           HA       ILE 251  37.586  -8.624  -3.664
   12    HB   ILE 251           HB       ILE 251  37.233 -10.085  -1.033
   13   1HG1  ILE 251          1HG1      ILE 251  34.952  -8.629  -2.117
   14   2HG1  ILE 251          2HG1      ILE 251  35.500  -9.890  -3.221
   15   1HG2  ILE 251          1HG2      ILE 251  37.732  -8.007  -0.237
   16   2HG2  ILE 251          2HG2      ILE 251  36.085  -7.631  -0.741
   17   3HG2  ILE 251          3HG2      ILE 251  37.443  -7.231  -1.793
   18   1HD1  ILE 251          1HD1      ILE 251  33.797 -10.656  -1.511
   19   2HD1  ILE 251          2HD1      ILE 251  35.015 -10.362  -0.269
   20   3HD1  ILE 251          3HD1      ILE 251  35.300 -11.577  -1.514
   21    H    ASN 252           H        ASN 252  39.972 -10.644  -3.651
   22    HA   ASN 252           HA       ASN 252  41.723  -9.378  -1.684
   23   1HB   ASN 252          1HB       ASN 252  42.798 -11.339  -1.751
   24   2HB   ASN 252          2HB       ASN 252  41.608 -11.915  -2.917
   25   1HD2  ASN 252          1HD2      ASN 252  42.126 -11.569  -5.256
   26   2HD2  ASN 252          2HD2      ASN 252  43.747 -11.420  -5.735
   27    H    GLU 253           H        GLU 253  41.612  -9.861  -5.206
   28    HA   GLU 253           HA       GLU 253  43.801  -8.578  -6.118
   29   1HB   GLU 253          1HB       GLU 253  41.951  -7.501  -7.808
   30   2HB   GLU 253          2HB       GLU 253  42.580  -9.143  -7.938
   31   1HG   GLU 253          1HG       GLU 253  40.694 -10.071  -6.853
   32   2HG   GLU 253          2HG       GLU 253  40.195  -8.510  -6.200
   33    H    LEU 254           H        LEU 254  40.906  -6.990  -4.858
   34    HA   LEU 254           HA       LEU 254  41.634  -4.339  -5.474
   35   1HB   LEU 254          1HB       LEU 254  39.733  -5.649  -3.593
   36   2HB   LEU 254          2HB       LEU 254  40.134  -3.963  -3.283
   37    HG   LEU 254           HG       LEU 254  38.119  -4.289  -4.766
   38   1HD1  LEU 254          1HD1      LEU 254  40.276  -2.483  -5.055
   39   2HD1  LEU 254          2HD1      LEU 254  38.619  -2.266  -5.613
   40   3HD1  LEU 254          3HD1      LEU 254  39.826  -2.969  -6.689
   41   1HD2  LEU 254          1HD2      LEU 254  38.264  -5.317  -6.840
   42   2HD2  LEU 254          2HD2      LEU 254  39.419  -6.287  -5.927
   43   3HD2  LEU 254          3HD2      LEU 254  39.993  -5.006  -6.994
   44    H    LEU 255           H        LEU 255  43.335  -6.431  -3.642
   45    HA   LEU 255           HA       LEU 255  43.966  -5.173  -1.263
   46   1HB   LEU 255          1HB       LEU 255  46.170  -6.298  -1.421
   47   2HB   LEU 255          2HB       LEU 255  44.834  -7.380  -1.804
   48    HG   LEU 255           HG       LEU 255  45.411  -6.345  -4.277
   49   1HD1  LEU 255          1HD1      LEU 255  48.031  -6.686  -2.781
   50   2HD1  LEU 255          2HD1      LEU 255  47.404  -5.167  -3.417
   51   3HD1  LEU 255          3HD1      LEU 255  47.871  -6.456  -4.522
   52   1HD2  LEU 255          1HD2      LEU 255  46.381  -8.806  -2.822
   53   2HD2  LEU 255          2HD2      LEU 255  46.779  -8.533  -4.517
   54   3HD2  LEU 255          3HD2      LEU 255  45.094  -8.676  -4.021
   55    H    HIS 256           H        HIS 256  44.868  -4.311  -4.518
   56    HA   HIS 256           HA       HIS 256  47.091  -2.742  -4.226
   57   1HB   HIS 256          1HB       HIS 256  44.727  -2.670  -5.996
   58   2HB   HIS 256          2HB       HIS 256  45.626  -1.157  -5.875
   59    HD2  HIS 256           HD2      HIS 256  47.101  -4.852  -6.053
   60    HE1  HIS 256           HE1      HIS 256  48.857  -2.506  -9.092
   61    HE2  HIS 256           HE2      HIS 256  48.847  -4.797  -7.997
   62    H    ILE 257           H        ILE 257  43.748  -1.875  -3.439
   63    HA   ILE 257           HA       ILE 257  44.484   0.767  -2.548
   64    HB   ILE 257           HB       ILE 257  41.934  -0.836  -2.500
   65   1HG1  ILE 257          1HG1      ILE 257  41.170   0.958  -3.978
   66   2HG1  ILE 257          2HG1      ILE 257  42.687   1.827  -3.747
   67   1HG2  ILE 257          1HG2      ILE 257  41.730   0.331  -0.465
   68   2HG2  ILE 257          2HG2      ILE 257  40.972   1.418  -1.628
   69   3HG2  ILE 257          3HG2      ILE 257  42.616   1.730  -1.073
   70   1HD1  ILE 257          1HD1      ILE 257  43.927   0.238  -4.961
   71   2HD1  ILE 257          2HD1      ILE 257  42.427   0.358  -5.879
   72   3HD1  ILE 257          3HD1      ILE 257  42.685  -1.001  -4.785
   73    H    LEU 258           H        LEU 258  43.417  -2.248  -0.981
   74    HA   LEU 258           HA       LEU 258  43.425  -1.403   1.663
   75   1HB   LEU 258          1HB       LEU 258  44.412  -4.114   0.771
   76   2HB   LEU 258          2HB       LEU 258  43.608  -3.698   2.284
   77    HG   LEU 258           HG       LEU 258  42.379  -3.628  -0.487
   78   1HD1  LEU 258          1HD1      LEU 258  40.936  -5.397   0.390
   79   2HD1  LEU 258          2HD1      LEU 258  41.728  -5.294   1.962
   80   3HD1  LEU 258          3HD1      LEU 258  42.625  -5.876   0.559
   81   1HD2  LEU 258          1HD2      LEU 258  40.276  -3.172   0.992
   82   2HD2  LEU 258          2HD2      LEU 258  41.358  -1.826   0.632
   83   3HD2  LEU 258          3HD2      LEU 258  41.443  -2.631   2.198
   84    H    VAL 259           H        VAL 259  46.011  -1.420  -0.467
   85    HA   VAL 259           HA       VAL 259  48.057  -1.882   1.568
   86    HB   VAL 259           HB       VAL 259  48.157  -1.335  -1.398
   87   1HG1  VAL 259          1HG1      VAL 259  50.104  -0.242  -0.807
   88   2HG1  VAL 259          2HG1      VAL 259  50.707  -1.898  -0.841
   89   3HG1  VAL 259          3HG1      VAL 259  50.281  -1.146   0.696
   90   1HG2  VAL 259          1HG2      VAL 259  49.524  -3.635  -0.123
   91   2HG2  VAL 259          2HG2      VAL 259  48.559  -3.578  -1.597
   92   3HG2  VAL 259          3HG2      VAL 259  47.764  -3.659  -0.025
   93    H    PHE 260           H        PHE 260  48.069   0.605  -0.947
   94    HA   PHE 260           HA       PHE 260  49.259   2.526   0.803
   95   1HB   PHE 260          1HB       PHE 260  49.113   4.046  -1.092
   96   2HB   PHE 260          2HB       PHE 260  49.670   2.467  -1.646
   97    HD1  PHE 260           HD1      PHE 260  46.672   4.662  -1.371
   98    HD2  PHE 260           HD2      PHE 260  48.410   1.188  -3.206
   99    HE1  PHE 260           HE1      PHE 260  44.753   4.529  -2.934
  100    HE2  PHE 260           HE2      PHE 260  46.491   1.056  -4.773
  101    HZ   PHE 260           HZ       PHE 260  44.663   2.726  -4.636
  102    H    GLY 261           H        GLY 261  46.010   1.666   0.019
  103   1HA   GLY 261          1HA       GLY 261  44.524   3.934   0.300
  104   2HA   GLY 261          2HA       GLY 261  44.028   2.387   0.977
  105    H    GLU 262           H        GLU 262  46.591   2.525   2.668
  106    HA   GLU 262           HA       GLU 262  45.461   3.349   5.070
  107   1HB   GLU 262          1HB       GLU 262  47.650   3.198   6.015
  108   2HB   GLU 262          2HB       GLU 262  47.566   1.973   4.750
  109   1HG   GLU 262          1HG       GLU 262  48.561   3.757   3.189
  110   2HG   GLU 262          2HG       GLU 262  48.942   4.659   4.655
  111    H    SER 263           H        SER 263  47.456   5.188   2.784
  112    HA   SER 263           HA       SER 263  47.212   7.597   4.422
  113   1HB   SER 263          1HB       SER 263  49.138   6.632   2.608
  114   2HB   SER 263          2HB       SER 263  48.414   8.043   1.841
  115    HG   SER 263           HG       SER 263  50.242   8.340   3.403
  116    H    LEU 264           H        LEU 264  46.428   6.545   1.112
  117    HA   LEU 264           HA       LEU 264  44.884   8.895   0.536
  118   1HB   LEU 264          1HB       LEU 264  44.769   6.260  -0.934
  119   2HB   LEU 264          2HB       LEU 264  44.425   7.871  -1.563
  120    HG   LEU 264           HG       LEU 264  47.124   6.845  -0.637
  121   1HD1  LEU 264          1HD1      LEU 264  45.789   6.626  -3.108
  122   2HD1  LEU 264          2HD1      LEU 264  47.501   6.331  -2.799
  123   3HD1  LEU 264          3HD1      LEU 264  46.960   7.927  -3.321
  124   1HD2  LEU 264          1HD2      LEU 264  46.107   9.575  -1.406
  125   2HD2  LEU 264          2HD2      LEU 264  47.790   9.139  -1.708
  126   3HD2  LEU 264          3HD2      LEU 264  47.156   9.123  -0.062
  127    H    LEU 265           H        LEU 265  44.275   6.617   2.704
  128    HA   LEU 265           HA       LEU 265  41.931   5.343   2.403
  129   1HB   LEU 265          1HB       LEU 265  43.365   5.864   4.559
  130   2HB   LEU 265          2HB       LEU 265  42.134   7.099   4.816
  131    HG   LEU 265           HG       LEU 265  40.496   5.078   4.241
  132   1HD1  LEU 265          1HD1      LEU 265  42.338   3.491   3.787
  133   2HD1  LEU 265          2HD1      LEU 265  41.371   2.966   5.164
  134   3HD1  LEU 265          3HD1      LEU 265  42.940   3.726   5.427
  135   1HD2  LEU 265          1HD2      LEU 265  40.288   6.226   6.313
  136   2HD2  LEU 265          2HD2      LEU 265  41.884   5.704   6.852
  137   3HD2  LEU 265          3HD2      LEU 265  40.560   4.542   6.761
  138    H    ASN 266           H        ASN 266  42.298   8.833   2.700
  139    HA   ASN 266           HA       ASN 266  39.654   9.608   3.067
  140   1HB   ASN 266          1HB       ASN 266  42.031  10.863   1.758
  141   2HB   ASN 266          2HB       ASN 266  40.455  11.623   1.556
  142   1HD2  ASN 266          1HD2      ASN 266  42.836  10.615   4.021
  143   2HD2  ASN 266          2HD2      ASN 266  42.241  11.634   5.240
  144    H    ASP 267           H        ASP 267  41.386   9.216  -0.031
  145    HA   ASP 267           HA       ASP 267  38.976   9.515  -1.577
  146   1HB   ASP 267          1HB       ASP 267  41.538   8.320  -2.607
  147   2HB   ASP 267          2HB       ASP 267  40.347   9.293  -3.469
  148    H    ALA 268           H        ALA 268  40.782   6.869  -0.201
  149    HA   ALA 268           HA       ALA 268  39.746   4.762  -1.777
  150   1HB   ALA 268          1HB       ALA 268  40.853   3.374  -0.334
  151   2HB   ALA 268          2HB       ALA 268  40.315   4.255   1.096
  152   3HB   ALA 268          3HB       ALA 268  41.642   4.885   0.120
  153    H    VAL 269           H        VAL 269  38.674   6.161   1.310
  154    HA   VAL 269           HA       VAL 269  36.520   4.452   1.812
  155    HB   VAL 269           HB       VAL 269  36.753   7.403   2.454
  156   1HG1  VAL 269          1HG1      VAL 269  34.520   6.854   2.907
  157   2HG1  VAL 269          2HG1      VAL 269  35.306   6.515   4.449
  158   3HG1  VAL 269          3HG1      VAL 269  34.917   5.193   3.349
  159   1HG2  VAL 269          1HG2      VAL 269  38.357   5.244   3.272
  160   2HG2  VAL 269          2HG2      VAL 269  37.248   5.524   4.613
  161   3HG2  VAL 269          3HG2      VAL 269  38.270   6.836   4.025
  162    H    THR 270           H        THR 270  36.972   6.408  -0.828
  163    HA   THR 270           HA       THR 270  34.142   7.061  -1.206
  164    HB   THR 270           HB       THR 270  36.106   7.601  -3.359
  165    HG1  THR 270           HG1      THR 270  37.410   8.666  -2.136
  166   1HG2  THR 270          1HG2      THR 270  34.038   9.292  -1.926
  167   2HG2  THR 270          2HG2      THR 270  33.753   8.378  -3.408
  168   3HG2  THR 270          3HG2      THR 270  34.889   9.728  -3.409
  169    H    VAL 271           H        VAL 271  36.471   4.697  -2.083
  170    HA   VAL 271           HA       VAL 271  34.698   3.645  -4.207
  171    HB   VAL 271           HB       VAL 271  37.660   3.271  -3.723
  172   1HG1  VAL 271          1HG1      VAL 271  35.741   1.886  -5.603
  173   2HG1  VAL 271          2HG1      VAL 271  36.881   1.150  -4.477
  174   3HG1  VAL 271          3HG1      VAL 271  37.472   1.966  -5.924
  175   1HG2  VAL 271          1HG2      VAL 271  37.772   4.274  -6.021
  176   2HG2  VAL 271          2HG2      VAL 271  37.100   5.373  -4.817
  177   3HG2  VAL 271          3HG2      VAL 271  36.030   4.541  -5.946
  178    H    VAL 272           H        VAL 272  36.961   2.498  -1.692
  179    HA   VAL 272           HA       VAL 272  36.082  -0.144  -1.587
  180    HB   VAL 272           HB       VAL 272  36.946   1.328   0.887
  181   1HG1  VAL 272          1HG1      VAL 272  38.128  -0.793   1.294
  182   2HG1  VAL 272          2HG1      VAL 272  37.586  -1.404  -0.270
  183   3HG1  VAL 272          3HG1      VAL 272  36.412  -1.087   1.008
  184   1HG2  VAL 272          1HG2      VAL 272  39.300   0.549  -0.225
  185   2HG2  VAL 272          2HG2      VAL 272  38.645   2.179  -0.392
  186   3HG2  VAL 272          3HG2      VAL 272  38.404   0.996  -1.677
  187    H    LEU 273           H        LEU 273  34.523   2.728  -0.535
  188    HA   LEU 273           HA       LEU 273  32.698   1.273   1.245
  189   1HB   LEU 273          1HB       LEU 273  33.703   3.536   1.846
  190   2HB   LEU 273          2HB       LEU 273  32.654   4.220   0.605
  191    HG   LEU 273           HG       LEU 273  30.799   2.811   1.882
  192   1HD1  LEU 273          1HD1      LEU 273  32.823   2.066   3.446
  193   2HD1  LEU 273          2HD1      LEU 273  31.214   2.345   4.113
  194   3HD1  LEU 273          3HD1      LEU 273  32.455   3.592   4.250
  195   1HD2  LEU 273          1HD2      LEU 273  30.400   5.097   1.753
  196   2HD2  LEU 273          2HD2      LEU 273  31.968   5.514   2.444
  197   3HD2  LEU 273          3HD2      LEU 273  30.674   4.921   3.486
  198    H    TYR 274           H        TYR 274  32.105   3.878  -1.102
  199    HA   TYR 274           HA       TYR 274  29.475   3.208  -1.691
  200   1HB   TYR 274          1HB       TYR 274  31.608   4.683  -3.200
  201   2HB   TYR 274          2HB       TYR 274  30.044   4.377  -3.953
  202    HD1  TYR 274           HD1      TYR 274  31.579   5.732  -0.819
  203    HD2  TYR 274           HD2      TYR 274  28.228   5.792  -3.505
  204    HE1  TYR 274           HE1      TYR 274  30.602   7.631   0.443
  205    HE2  TYR 274           HE2      TYR 274  27.251   7.691  -2.243
  206    HH   TYR 274           HH       TYR 274  29.041   9.386   0.203
  207    H    LYS 275           H        LYS 275  31.891   2.899  -4.231
  208    HA   LYS 275           HA       LYS 275  30.669   1.109  -5.853
  209   1HB   LYS 275          1HB       LYS 275  33.618   0.987  -5.189
  210   2HB   LYS 275          2HB       LYS 275  32.854   0.438  -6.677
  211   1HG   LYS 275          1HG       LYS 275  32.795   3.313  -5.694
  212   2HG   LYS 275          2HG       LYS 275  33.944   2.698  -6.878
  213   1HD   LYS 275          1HD       LYS 275  32.414   3.250  -8.441
  214   2HD   LYS 275          2HD       LYS 275  31.491   1.858  -7.887
  215   1HE   LYS 275          1HE       LYS 275  30.496   3.425  -6.109
  216   2HE   LYS 275          2HE       LYS 275  31.189   4.745  -7.050
  217   1HZ   LYS 275          1HZ       LYS 275  28.779   3.870  -7.511
  218   2HZ   LYS 275          2HZ       LYS 275  29.605   2.723  -8.454
  219   3HZ   LYS 275          3HZ       LYS 275  29.780   4.382  -8.781
  220    H    LYS 276           H        LYS 276  32.770   0.218  -3.115
  221    HA   LYS 276           HA       LYS 276  31.739  -2.541  -3.302
  222   1HB   LYS 276          1HB       LYS 276  34.189  -2.290  -3.351
  223   2HB   LYS 276          2HB       LYS 276  34.133  -1.460  -1.796
  224   1HG   LYS 276          1HG       LYS 276  33.396  -3.399  -0.653
  225   2HG   LYS 276          2HG       LYS 276  32.944  -4.216  -2.146
  226   1HD   LYS 276          1HD       LYS 276  35.792  -3.462  -1.417
  227   2HD   LYS 276          2HD       LYS 276  35.095  -5.055  -1.133
  228   1HE   LYS 276          1HE       LYS 276  34.496  -4.566  -3.808
  229   2HE   LYS 276          2HE       LYS 276  36.111  -3.888  -3.617
  230   1HZ   LYS 276          1HZ       LYS 276  35.703  -6.437  -4.098
  231   2HZ   LYS 276          2HZ       LYS 276  35.604  -6.491  -2.403
  232   3HZ   LYS 276          3HZ       LYS 276  37.006  -5.896  -3.158
  233   1HN   NH2 277          1HN       NH2 277  32.953  -0.765  -0.436
  234   2HN   NH2 277          2HN       NH2 277  31.546  -1.017   0.498
  Start of MODEL   18
    1   1H    HIS 250          1H        HIS 250  63.268  10.789   3.083
    2   2H    HIS 250          2H        HIS 250  63.218  11.571   1.574
    3   3H    HIS 250          3H        HIS 250  64.653  10.831   2.103
    4    HA   HIS 250           HA       HIS 250  63.695   8.665   1.937
    5   1HB   HIS 250          1HB       HIS 250  61.361   9.742   2.542
    6   2HB   HIS 250          2HB       HIS 250  61.185   9.845   0.790
    7    HD2  HIS 250           HD2      HIS 250  62.664   6.794   2.898
    8    HE1  HIS 250           HE1      HIS 250  59.535   5.405   0.429
    9    HE2  HIS 250           HE2      HIS 250  61.317   4.706   2.096
   10    H    ILE 251           H        ILE 251  61.984   8.417  -0.502
   11    HA   ILE 251           HA       ILE 251  64.079   9.100  -2.454
   12    HB   ILE 251           HB       ILE 251  61.888   7.441  -3.423
   13   1HG1  ILE 251          1HG1      ILE 251  61.789   6.694  -1.091
   14   2HG1  ILE 251          2HG1      ILE 251  62.527   5.441  -2.085
   15   1HG2  ILE 251          1HG2      ILE 251  64.062   7.725  -4.550
   16   2HG2  ILE 251          2HG2      ILE 251  63.779   6.034  -4.138
   17   3HG2  ILE 251          3HG2      ILE 251  64.877   7.007  -3.160
   18   1HD1  ILE 251          1HD1      ILE 251  64.294   5.461  -0.692
   19   2HD1  ILE 251          2HD1      ILE 251  63.646   6.851   0.177
   20   3HD1  ILE 251          3HD1      ILE 251  64.659   7.094  -1.245
   21    H    ASN 252           H        ASN 252  63.255   9.615  -4.688
   22    HA   ASN 252           HA       ASN 252  61.196  11.696  -4.459
   23   1HB   ASN 252          1HB       ASN 252  63.285  11.130  -6.569
   24   2HB   ASN 252          2HB       ASN 252  62.076  12.406  -6.701
   25   1HD2  ASN 252          1HD2      ASN 252  64.998  11.401  -4.978
   26   2HD2  ASN 252          2HD2      ASN 252  65.265  12.890  -4.206
   27    H    GLU 253           H        GLU 253  61.866   8.650  -6.033
   28    HA   GLU 253           HA       GLU 253  59.810   8.815  -8.004
   29   1HB   GLU 253          1HB       GLU 253  60.116   6.151  -7.682
   30   2HB   GLU 253          2HB       GLU 253  61.227   7.143  -8.626
   31   1HG   GLU 253          1HG       GLU 253  61.660   6.815  -5.669
   32   2HG   GLU 253          2HG       GLU 253  62.186   5.552  -6.778
   33    H    LEU 254           H        LEU 254  59.998   7.254  -4.810
   34    HA   LEU 254           HA       LEU 254  57.353   6.237  -4.828
   35   1HB   LEU 254          1HB       LEU 254  59.433   6.725  -2.736
   36   2HB   LEU 254          2HB       LEU 254  57.780   6.385  -2.224
   37    HG   LEU 254           HG       LEU 254  57.774   4.316  -3.546
   38   1HD1  LEU 254          1HD1      LEU 254  59.984   3.571  -4.535
   39   2HD1  LEU 254          2HD1      LEU 254  60.573   5.214  -4.280
   40   3HD1  LEU 254          3HD1      LEU 254  59.221   4.921  -5.374
   41   1HD2  LEU 254          1HD2      LEU 254  60.161   4.664  -1.708
   42   2HD2  LEU 254          2HD2      LEU 254  59.582   3.098  -2.273
   43   3HD2  LEU 254          3HD2      LEU 254  58.549   4.107  -1.260
   44    H    LEU 255           H        LEU 255  58.517   9.391  -4.627
   45    HA   LEU 255           HA       LEU 255  57.060  10.809  -2.846
   46   1HB   LEU 255          1HB       LEU 255  58.540  11.856  -4.496
   47   2HB   LEU 255          2HB       LEU 255  57.379  11.503  -5.775
   48    HG   LEU 255           HG       LEU 255  56.181  12.890  -3.485
   49   1HD1  LEU 255          1HD1      LEU 255  57.205  15.080  -4.017
   50   2HD1  LEU 255          2HD1      LEU 255  58.311  14.283  -5.135
   51   3HD1  LEU 255          3HD1      LEU 255  58.405  13.940  -3.407
   52   1HD2  LEU 255          1HD2      LEU 255  55.142  12.501  -5.739
   53   2HD2  LEU 255          2HD2      LEU 255  56.346  13.585  -6.434
   54   3HD2  LEU 255          3HD2      LEU 255  55.172  14.201  -5.271
   55    H    HIS 256           H        HIS 256  55.805   8.947  -5.475
   56    HA   HIS 256           HA       HIS 256  53.275  10.171  -5.771
   57   1HB   HIS 256          1HB       HIS 256  53.806   7.223  -6.118
   58   2HB   HIS 256          2HB       HIS 256  52.646   8.233  -6.980
   59    HD2  HIS 256           HD2      HIS 256  55.439  10.512  -7.211
   60    HE1  HIS 256           HE1      HIS 256  56.408   7.679 -10.187
   61    HE2  HIS 256           HE2      HIS 256  56.919  10.003  -9.300
   62    H    ILE 257           H        ILE 257  54.485   7.699  -3.558
   63    HA   ILE 257           HA       ILE 257  51.841   7.353  -2.374
   64    HB   ILE 257           HB       ILE 257  52.673   5.474  -1.318
   65   1HG1  ILE 257          1HG1      ILE 257  55.309   6.938  -1.400
   66   2HG1  ILE 257          2HG1      ILE 257  54.436   6.315   0.003
   67   1HG2  ILE 257          1HG2      ILE 257  52.998   5.550  -3.917
   68   2HG2  ILE 257          2HG2      ILE 257  53.714   4.224  -3.000
   69   3HG2  ILE 257          3HG2      ILE 257  54.717   5.578  -3.521
   70   1HD1  ILE 257          1HD1      ILE 257  54.764   3.994  -1.147
   71   2HD1  ILE 257          2HD1      ILE 257  56.118   4.714  -0.274
   72   3HD1  ILE 257          3HD1      ILE 257  56.050   4.811  -2.034
   73    H    LEU 258           H        LEU 258  54.863   8.978  -1.738
   74    HA   LEU 258           HA       LEU 258  54.584   9.399   1.032
   75   1HB   LEU 258          1HB       LEU 258  55.839  11.327  -0.928
   76   2HB   LEU 258          2HB       LEU 258  56.212  11.143   0.785
   77    HG   LEU 258           HG       LEU 258  56.664   9.046  -1.360
   78   1HD1  LEU 258          1HD1      LEU 258  58.911  10.063   0.254
   79   2HD1  LEU 258          2HD1      LEU 258  58.189  11.263  -0.817
   80   3HD1  LEU 258          3HD1      LEU 258  58.820   9.756  -1.480
   81   1HD2  LEU 258          1HD2      LEU 258  56.245   7.800   0.577
   82   2HD2  LEU 258          2HD2      LEU 258  56.895   9.049   1.639
   83   3HD2  LEU 258          3HD2      LEU 258  57.987   8.049   0.682
   84    H    VAL 259           H        VAL 259  52.983  10.821  -1.689
   85    HA   VAL 259           HA       VAL 259  52.176  13.285  -0.647
   86    HB   VAL 259           HB       VAL 259  50.599  11.444  -2.460
   87   1HG1  VAL 259          1HG1      VAL 259  49.654  13.631  -3.266
   88   2HG1  VAL 259          2HG1      VAL 259  50.486  14.428  -1.931
   89   3HG1  VAL 259          3HG1      VAL 259  49.218  13.247  -1.601
   90   1HG2  VAL 259          1HG2      VAL 259  51.859  13.546  -3.878
   91   2HG2  VAL 259          2HG2      VAL 259  52.235  11.825  -3.964
   92   3HG2  VAL 259          3HG2      VAL 259  53.093  12.858  -2.821
   93    H    PHE 260           H        PHE 260  49.949  10.523  -0.933
   94    HA   PHE 260           HA       PHE 260  48.421  11.502   1.335
   95   1HB   PHE 260          1HB       PHE 260  47.382   9.028   0.610
   96   2HB   PHE 260          2HB       PHE 260  46.811  10.600   0.051
   97    HD1  PHE 260           HD1      PHE 260  48.673   7.581  -0.818
   98    HD2  PHE 260           HD2      PHE 260  47.643  11.550  -2.095
   99    HE1  PHE 260           HE1      PHE 260  49.413   7.032  -3.121
  100    HE2  PHE 260           HE2      PHE 260  48.382  11.003  -4.397
  101    HZ   PHE 260           HZ       PHE 260  49.267   8.743  -4.911
  102    H    GLY 261           H        GLY 261  49.685   8.262   0.522
  103   1HA   GLY 261          1HA       GLY 261  51.082   6.932   1.900
  104   2HA   GLY 261          2HA       GLY 261  50.709   7.987   3.259
  105    H    GLU 262           H        GLU 262  48.814   7.665   4.445
  106    HA   GLU 262           HA       GLU 262  47.690   4.974   4.203
  107   1HB   GLU 262          1HB       GLU 262  47.275   7.065   6.353
  108   2HB   GLU 262          2HB       GLU 262  46.775   5.374   6.426
  109   1HG   GLU 262          1HG       GLU 262  49.550   5.462   5.730
  110   2HG   GLU 262          2HG       GLU 262  49.300   6.487   7.141
  111    H    SER 263           H        SER 263  46.962   8.075   3.165
  112    HA   SER 263           HA       SER 263  44.104   8.002   3.483
  113   1HB   SER 263          1HB       SER 263  44.538  10.184   3.139
  114   2HB   SER 263          2HB       SER 263  46.103   9.839   2.409
  115    HG   SER 263           HG       SER 263  45.107  10.393   0.637
  116    H    LEU 264           H        LEU 264  46.080   6.141   1.670
  117    HA   LEU 264           HA       LEU 264  45.304   6.082  -0.930
  118   1HB   LEU 264          1HB       LEU 264  45.563   3.702   0.923
  119   2HB   LEU 264          2HB       LEU 264  45.531   3.604  -0.838
  120    HG   LEU 264           HG       LEU 264  47.473   5.510   0.376
  121   1HD1  LEU 264          1HD1      LEU 264  47.854   2.500   0.368
  122   2HD1  LEU 264          2HD1      LEU 264  47.738   3.523   1.801
  123   3HD1  LEU 264          3HD1      LEU 264  49.116   3.684   0.711
  124   1HD2  LEU 264          1HD2      LEU 264  47.910   3.472  -1.805
  125   2HD2  LEU 264          2HD2      LEU 264  48.711   5.027  -1.577
  126   3HD2  LEU 264          3HD2      LEU 264  47.037   4.970  -2.128
  127    H    LEU 265           H        LEU 265  43.392   5.018   1.841
  128    HA   LEU 265           HA       LEU 265  41.188   4.189   0.108
  129   1HB   LEU 265          1HB       LEU 265  40.106   3.765   2.427
  130   2HB   LEU 265          2HB       LEU 265  41.430   2.718   1.915
  131    HG   LEU 265           HG       LEU 265  42.248   5.186   3.329
  132   1HD1  LEU 265          1HD1      LEU 265  40.792   2.929   4.739
  133   2HD1  LEU 265          2HD1      LEU 265  40.269   4.610   4.645
  134   3HD1  LEU 265          3HD1      LEU 265  41.720   4.188   5.553
  135   1HD2  LEU 265          1HD2      LEU 265  42.967   2.297   3.868
  136   2HD2  LEU 265          2HD2      LEU 265  43.925   3.738   4.212
  137   3HD2  LEU 265          3HD2      LEU 265  43.693   3.211   2.545
  138    H    ASN 266           H        ASN 266  42.186   6.894   2.030
  139    HA   ASN 266           HA       ASN 266  39.662   8.077   2.516
  140   1HB   ASN 266          1HB       ASN 266  42.455   9.193   2.315
  141   2HB   ASN 266          2HB       ASN 266  41.061  10.222   2.640
  142   1HD2  ASN 266          1HD2      ASN 266  42.222   7.005   3.832
  143   2HD2  ASN 266          2HD2      ASN 266  41.963   7.367   5.469
  144    H    ASP 267           H        ASP 267  40.971   7.322  -0.378
  145    HA   ASP 267           HA       ASP 267  40.196   9.758  -1.793
  146   1HB   ASP 267          1HB       ASP 267  42.253   8.371  -2.373
  147   2HB   ASP 267          2HB       ASP 267  41.139   7.163  -3.011
  148    H    ALA 268           H        ALA 268  39.361   6.287  -1.902
  149    HA   ALA 268           HA       ALA 268  36.990   6.829  -3.482
  150   1HB   ALA 268          1HB       ALA 268  37.873   4.238  -2.193
  151   2HB   ALA 268          2HB       ALA 268  38.370   4.772  -3.798
  152   3HB   ALA 268          3HB       ALA 268  36.671   4.428  -3.469
  153    H    VAL 269           H        VAL 269  37.547   5.248  -0.325
  154    HA   VAL 269           HA       VAL 269  35.013   4.967   0.602
  155    HB   VAL 269           HB       VAL 269  37.315   4.575   1.780
  156   1HG1  VAL 269          1HG1      VAL 269  36.529   7.115   3.194
  157   2HG1  VAL 269          2HG1      VAL 269  37.621   7.166   1.810
  158   3HG1  VAL 269          3HG1      VAL 269  38.064   6.249   3.249
  159   1HG2  VAL 269          1HG2      VAL 269  34.709   5.337   3.109
  160   2HG2  VAL 269          2HG2      VAL 269  36.075   4.713   4.034
  161   3HG2  VAL 269          3HG2      VAL 269  35.332   3.721   2.779
  162    H    THR 270           H        THR 270  36.692   7.960   0.059
  163    HA   THR 270           HA       THR 270  34.677   9.519   1.496
  164    HB   THR 270           HB       THR 270  37.293  10.160   0.167
  165    HG1  THR 270           HG1      THR 270  37.252   9.562   2.352
  166   1HG2  THR 270          1HG2      THR 270  36.040  11.970  -0.644
  167   2HG2  THR 270          2HG2      THR 270  36.667  12.585   0.885
  168   3HG2  THR 270          3HG2      THR 270  35.002  12.012   0.780
  169    H    VAL 271           H        VAL 271  36.158   9.852  -1.732
  170    HA   VAL 271           HA       VAL 271  34.233  11.407  -2.925
  171    HB   VAL 271           HB       VAL 271  35.856   9.174  -4.166
  172   1HG1  VAL 271          1HG1      VAL 271  34.280   9.562  -5.821
  173   2HG1  VAL 271          2HG1      VAL 271  35.446  10.830  -6.205
  174   3HG1  VAL 271          3HG1      VAL 271  33.986  11.220  -5.296
  175   1HG2  VAL 271          1HG2      VAL 271  37.569  10.676  -4.320
  176   2HG2  VAL 271          2HG2      VAL 271  36.741  11.474  -2.983
  177   3HG2  VAL 271          3HG2      VAL 271  36.482  12.028  -4.637
  178    H    VAL 272           H        VAL 272  33.939   8.152  -1.894
  179    HA   VAL 272           HA       VAL 272  31.630   7.622  -3.615
  180    HB   VAL 272           HB       VAL 272  33.506   5.925  -2.916
  181   1HG1  VAL 272          1HG1      VAL 272  31.562   5.425  -0.669
  182   2HG1  VAL 272          2HG1      VAL 272  32.951   6.486  -0.435
  183   3HG1  VAL 272          3HG1      VAL 272  33.197   4.797  -0.875
  184   1HG2  VAL 272          1HG2      VAL 272  31.761   4.092  -2.987
  185   2HG2  VAL 272          2HG2      VAL 272  31.628   5.276  -4.288
  186   3HG2  VAL 272          3HG2      VAL 272  30.530   5.352  -2.910
  187    H    LEU 273           H        LEU 273  32.387   8.692  -0.425
  188    HA   LEU 273           HA       LEU 273  29.954   7.933   0.852
  189   1HB   LEU 273          1HB       LEU 273  32.369   9.110   1.634
  190   2HB   LEU 273          2HB       LEU 273  31.155  10.350   1.931
  191    HG   LEU 273           HG       LEU 273  31.374   8.964   3.920
  192   1HD1  LEU 273          1HD1      LEU 273  29.136   8.886   4.288
  193   2HD1  LEU 273          2HD1      LEU 273  28.855   7.806   2.923
  194   3HD1  LEU 273          3HD1      LEU 273  29.007   9.542   2.656
  195   1HD2  LEU 273          1HD2      LEU 273  31.717   6.886   1.997
  196   2HD2  LEU 273          2HD2      LEU 273  30.306   6.474   2.973
  197   3HD2  LEU 273          3HD2      LEU 273  31.861   6.773   3.752
  198    H    TYR 274           H        TYR 274  31.096  11.092  -0.362
  199    HA   TYR 274           HA       TYR 274  28.609  12.410  -0.009
  200   1HB   TYR 274          1HB       TYR 274  29.791  14.219  -0.634
  201   2HB   TYR 274          2HB       TYR 274  31.190  13.152  -0.725
  202    HD1  TYR 274           HD1      TYR 274  31.263  11.681  -2.990
  203    HD2  TYR 274           HD2      TYR 274  29.278  15.465  -2.537
  204    HE1  TYR 274           HE1      TYR 274  31.390  12.041  -5.439
  205    HE2  TYR 274           HE2      TYR 274  29.402  15.822  -4.987
  206    HH   TYR 274           HH       TYR 274  31.263  14.666  -6.920
  207    H    LYS 275           H        LYS 275  29.873  10.342  -2.474
  208    HA   LYS 275           HA       LYS 275  28.352  11.109  -4.685
  209   1HB   LYS 275          1HB       LYS 275  30.208   9.463  -4.746
  210   2HB   LYS 275          2HB       LYS 275  29.183   8.303  -3.902
  211   1HG   LYS 275          1HG       LYS 275  27.927   7.863  -5.756
  212   2HG   LYS 275          2HG       LYS 275  27.987   9.531  -6.321
  213   1HD   LYS 275          1HD       LYS 275  30.454   7.803  -6.383
  214   2HD   LYS 275          2HD       LYS 275  29.267   7.728  -7.687
  215   1HE   LYS 275          1HE       LYS 275  29.809   9.800  -8.476
  216   2HE   LYS 275          2HE       LYS 275  30.071  10.457  -6.861
  217   1HZ   LYS 275          1HZ       LYS 275  31.999   9.684  -8.664
  218   2HZ   LYS 275          2HZ       LYS 275  32.000   8.469  -7.476
  219   3HZ   LYS 275          3HZ       LYS 275  32.235  10.093  -7.035
  220    H    LYS 276           H        LYS 276  27.441   9.453  -1.779
  221    HA   LYS 276           HA       LYS 276  24.811   8.764  -2.920
  222   1HB   LYS 276          1HB       LYS 276  26.106   6.959  -1.777
  223   2HB   LYS 276          2HB       LYS 276  26.020   7.895  -0.285
  224   1HG   LYS 276          1HG       LYS 276  23.554   7.837  -0.384
  225   2HG   LYS 276          2HG       LYS 276  23.637   6.895  -1.874
  226   1HD   LYS 276          1HD       LYS 276  23.436   5.166  -0.359
  227   2HD   LYS 276          2HD       LYS 276  25.192   5.337  -0.358
  228   1HE   LYS 276          1HE       LYS 276  24.835   7.038   1.554
  229   2HE   LYS 276          2HE       LYS 276  23.210   6.361   1.673
  230   1HZ   LYS 276          1HZ       LYS 276  24.571   5.160   3.162
  231   2HZ   LYS 276          2HZ       LYS 276  25.793   4.943   2.002
  232   3HZ   LYS 276          3HZ       LYS 276  24.307   4.136   1.837
  233   1HN   NH2 277          1HN       NH2 277  25.659   9.570   0.466
  234   2HN   NH2 277          2HN       NH2 277  24.537  10.850   0.599
  Start of MODEL   19
    1   1H    HIS 250          1H        HIS 250  51.014  -3.696   8.639
    2   2H    HIS 250          2H        HIS 250  50.956  -4.555   7.175
    3   3H    HIS 250          3H        HIS 250  52.048  -3.268   7.364
    4    HA   HIS 250           HA       HIS 250  52.227  -6.019   8.290
    5   1HB   HIS 250          1HB       HIS 250  53.618  -4.592   6.514
    6   2HB   HIS 250          2HB       HIS 250  54.524  -4.135   7.957
    7    HD2  HIS 250           HD2      HIS 250  53.141  -7.757   7.009
    8    HE1  HIS 250           HE1      HIS 250  57.285  -7.998   7.772
    9    HE2  HIS 250           HE2      HIS 250  55.208  -9.340   7.198
   10    H    ILE 251           H        ILE 251  54.815  -5.244   9.573
   11    HA   ILE 251           HA       ILE 251  53.758  -4.197  12.132
   12    HB   ILE 251           HB       ILE 251  56.039  -6.133  12.058
   13   1HG1  ILE 251          1HG1      ILE 251  54.013  -7.823  12.528
   14   2HG1  ILE 251          2HG1      ILE 251  53.163  -6.702  11.464
   15   1HG2  ILE 251          1HG2      ILE 251  54.959  -4.768  14.075
   16   2HG2  ILE 251          2HG2      ILE 251  55.522  -6.424  14.294
   17   3HG2  ILE 251          3HG2      ILE 251  53.805  -6.102  14.047
   18   1HD1  ILE 251          1HD1      ILE 251  55.482  -8.498  10.863
   19   2HD1  ILE 251          2HD1      ILE 251  55.355  -6.974   9.986
   20   3HD1  ILE 251          3HD1      ILE 251  54.050  -8.156   9.892
   21    H    ASN 252           H        ASN 252  56.513  -4.490   9.958
   22    HA   ASN 252           HA       ASN 252  58.056  -2.557  11.521
   23   1HB   ASN 252          1HB       ASN 252  58.681  -4.182   9.052
   24   2HB   ASN 252          2HB       ASN 252  59.780  -2.974   9.714
   25   1HD2  ASN 252          1HD2      ASN 252  57.730  -4.928  11.835
   26   2HD2  ASN 252          2HD2      ASN 252  58.992  -5.853  12.491
   27    H    GLU 253           H        GLU 253  56.161  -2.779   8.603
   28    HA   GLU 253           HA       GLU 253  57.013  -0.137   7.689
   29   1HB   GLU 253          1HB       GLU 253  55.225  -2.270   6.527
   30   2HB   GLU 253          2HB       GLU 253  55.341  -0.655   5.828
   31   1HG   GLU 253          1HG       GLU 253  57.691  -0.907   5.417
   32   2HG   GLU 253          2HG       GLU 253  57.759  -2.389   6.367
   33    H    LEU 254           H        LEU 254  55.163  -1.018  10.096
   34    HA   LEU 254           HA       LEU 254  52.591  -0.124   9.841
   35   1HB   LEU 254          1HB       LEU 254  54.521  -0.340  12.021
   36   2HB   LEU 254          2HB       LEU 254  53.348   0.950  12.279
   37    HG   LEU 254           HG       LEU 254  52.535  -1.839  11.433
   38   1HD1  LEU 254          1HD1      LEU 254  52.735  -0.671  14.225
   39   2HD1  LEU 254          2HD1      LEU 254  53.694  -2.004  13.584
   40   3HD1  LEU 254          3HD1      LEU 254  51.958  -2.202  13.825
   41   1HD2  LEU 254          1HD2      LEU 254  50.427  -1.018  11.496
   42   2HD2  LEU 254          2HD2      LEU 254  51.157   0.586  11.549
   43   3HD2  LEU 254          3HD2      LEU 254  50.707  -0.228  13.048
   44    H    LEU 255           H        LEU 255  55.376   1.703   9.274
   45    HA   LEU 255           HA       LEU 255  53.981   4.261   9.694
   46   1HB   LEU 255          1HB       LEU 255  56.407   3.698  10.548
   47   2HB   LEU 255          2HB       LEU 255  56.856   4.074   8.884
   48    HG   LEU 255           HG       LEU 255  55.309   6.188   9.296
   49   1HD1  LEU 255          1HD1      LEU 255  56.420   5.929  12.065
   50   2HD1  LEU 255          2HD1      LEU 255  54.903   5.111  11.691
   51   3HD1  LEU 255          3HD1      LEU 255  55.033   6.859  11.498
   52   1HD2  LEU 255          1HD2      LEU 255  57.709   6.263   8.751
   53   2HD2  LEU 255          2HD2      LEU 255  58.112   5.895  10.428
   54   3HD2  LEU 255          3HD2      LEU 255  57.334   7.425  10.024
   55    H    HIS 256           H        HIS 256  55.598   2.281   7.256
   56    HA   HIS 256           HA       HIS 256  55.092   4.260   5.172
   57   1HB   HIS 256          1HB       HIS 256  56.372   1.521   5.062
   58   2HB   HIS 256          2HB       HIS 256  56.262   2.643   3.706
   59    HD2  HIS 256           HD2      HIS 256  58.077   2.466   7.226
   60    HE1  HIS 256           HE1      HIS 256  59.944   5.439   4.879
   61    HE2  HIS 256           HE2      HIS 256  60.054   4.166   7.074
   62    H    ILE 257           H        ILE 257  54.686   0.757   4.858
   63    HA   ILE 257           HA       ILE 257  52.631   0.788   3.043
   64    HB   ILE 257           HB       ILE 257  53.960  -1.209   4.035
   65   1HG1  ILE 257          1HG1      ILE 257  51.753  -2.654   3.607
   66   2HG1  ILE 257          2HG1      ILE 257  51.153  -1.102   3.025
   67   1HG2  ILE 257          1HG2      ILE 257  52.987  -2.378   5.841
   68   2HG2  ILE 257          2HG2      ILE 257  51.476  -1.480   5.725
   69   3HG2  ILE 257          3HG2      ILE 257  52.923  -0.693   6.355
   70   1HD1  ILE 257          1HD1      ILE 257  52.109  -1.946   1.082
   71   2HD1  ILE 257          2HD1      ILE 257  53.387  -2.790   1.956
   72   3HD1  ILE 257          3HD1      ILE 257  53.467  -1.040   1.748
   73    H    LEU 258           H        LEU 258  52.491   1.830   6.265
   74    HA   LEU 258           HA       LEU 258  49.618   1.404   6.517
   75   1HB   LEU 258          1HB       LEU 258  51.549   1.369   8.376
   76   2HB   LEU 258          2HB       LEU 258  51.106   3.069   8.474
   77    HG   LEU 258           HG       LEU 258  49.775   1.825  10.080
   78   1HD1  LEU 258          1HD1      LEU 258  47.892   2.321   7.782
   79   2HD1  LEU 258          2HD1      LEU 258  48.740   3.655   8.563
   80   3HD1  LEU 258          3HD1      LEU 258  47.649   2.635   9.499
   81   1HD2  LEU 258          1HD2      LEU 258  48.994  -0.256   9.700
   82   2HD2  LEU 258          2HD2      LEU 258  49.878  -0.230   8.175
   83   3HD2  LEU 258          3HD2      LEU 258  48.182   0.251   8.220
   84    H    VAL 259           H        VAL 259  51.932   3.989   5.959
   85    HA   VAL 259           HA       VAL 259  49.879   6.047   6.023
   86    HB   VAL 259           HB       VAL 259  52.839   6.109   5.424
   87   1HG1  VAL 259          1HG1      VAL 259  52.299   8.680   5.732
   88   2HG1  VAL 259          2HG1      VAL 259  50.696   8.196   5.178
   89   3HG1  VAL 259          3HG1      VAL 259  52.105   7.916   4.154
   90   1HG2  VAL 259          1HG2      VAL 259  53.041   7.093   7.579
   91   2HG2  VAL 259          2HG2      VAL 259  51.900   5.768   7.807
   92   3HG2  VAL 259          3HG2      VAL 259  51.312   7.425   7.678
   93    H    PHE 260           H        PHE 260  51.741   4.259   3.615
   94    HA   PHE 260           HA       PHE 260  51.042   5.900   1.401
   95   1HB   PHE 260          1HB       PHE 260  52.452   4.538   0.314
   96   2HB   PHE 260          2HB       PHE 260  52.683   3.680   1.836
   97    HD1  PHE 260           HD1      PHE 260  50.725   1.969   2.433
   98    HD2  PHE 260           HD2      PHE 260  51.690   3.315  -1.527
   99    HE1  PHE 260           HE1      PHE 260  49.625  -0.040   1.486
  100    HE2  PHE 260           HE2      PHE 260  50.587   1.309  -2.478
  101    HZ   PHE 260           HZ       PHE 260  49.554  -0.370  -0.973
  102    H    GLY 261           H        GLY 261  49.442   3.315   3.095
  103   1HA   GLY 261          1HA       GLY 261  47.430   2.946   1.018
  104   2HA   GLY 261          2HA       GLY 261  47.503   2.109   2.567
  105    H    GLU 262           H        GLU 262  47.818   4.619   4.074
  106    HA   GLU 262           HA       GLU 262  45.105   5.145   4.639
  107   1HB   GLU 262          1HB       GLU 262  47.680   6.518   5.368
  108   2HB   GLU 262          2HB       GLU 262  46.123   7.189   5.853
  109   1HG   GLU 262          1HG       GLU 262  46.512   4.286   6.346
  110   2HG   GLU 262          2HG       GLU 262  47.466   5.380   7.346
  111    H    SER 263           H        SER 263  47.530   7.327   3.178
  112    HA   SER 263           HA       SER 263  45.894   9.425   2.485
  113   1HB   SER 263          1HB       SER 263  48.034   8.410   0.621
  114   2HB   SER 263          2HB       SER 263  47.539  10.074   0.916
  115    HG   SER 263           HG       SER 263  49.372   9.755   2.095
  116    H    LEU 264           H        LEU 264  46.151   6.283   0.970
  117    HA   LEU 264           HA       LEU 264  44.481   7.094  -1.288
  118   1HB   LEU 264          1HB       LEU 264  45.557   4.351  -0.592
  119   2HB   LEU 264          2HB       LEU 264  44.862   4.854  -2.133
  120    HG   LEU 264           HG       LEU 264  47.373   6.009  -0.882
  121   1HD1  LEU 264          1HD1      LEU 264  47.147   4.356  -3.401
  122   2HD1  LEU 264          2HD1      LEU 264  47.446   3.621  -1.826
  123   3HD1  LEU 264          3HD1      LEU 264  48.603   4.770  -2.497
  124   1HD2  LEU 264          1HD2      LEU 264  47.501   6.867  -3.379
  125   2HD2  LEU 264          2HD2      LEU 264  46.542   7.751  -2.193
  126   3HD2  LEU 264          3HD2      LEU 264  45.752   6.656  -3.326
  127    H    LEU 265           H        LEU 265  44.051   6.010   1.867
  128    HA   LEU 265           HA       LEU 265  41.646   4.459   1.372
  129   1HB   LEU 265          1HB       LEU 265  43.396   4.221   3.321
  130   2HB   LEU 265          2HB       LEU 265  42.417   5.478   4.079
  131    HG   LEU 265           HG       LEU 265  40.426   3.881   3.296
  132   1HD1  LEU 265          1HD1      LEU 265  42.020   2.293   2.198
  133   2HD1  LEU 265          2HD1      LEU 265  41.048   1.530   3.456
  134   3HD1  LEU 265          3HD1      LEU 265  42.727   1.964   3.780
  135   1HD2  LEU 265          1HD2      LEU 265  40.830   4.555   5.608
  136   2HD2  LEU 265          2HD2      LEU 265  42.195   3.445   5.723
  137   3HD2  LEU 265          3HD2      LEU 265  40.557   2.813   5.556
  138    H    ASN 266           H        ASN 266  42.320   7.405   3.283
  139    HA   ASN 266           HA       ASN 266  39.668   8.206   3.615
  140   1HB   ASN 266          1HB       ASN 266  40.605   9.925   4.717
  141   2HB   ASN 266          2HB       ASN 266  42.163   9.203   4.319
  142   1HD2  ASN 266          1HD2      ASN 266  42.735   9.776   1.793
  143   2HD2  ASN 266          2HD2      ASN 266  42.588  11.429   1.434
  144    H    ASP 267           H        ASP 267  41.596   8.192   0.798
  145    HA   ASP 267           HA       ASP 267  40.021  10.258  -0.547
  146   1HB   ASP 267          1HB       ASP 267  42.647   9.497  -0.779
  147   2HB   ASP 267          2HB       ASP 267  41.906   8.680  -2.154
  148    H    ALA 268           H        ALA 268  40.456   6.769  -0.500
  149    HA   ALA 268           HA       ALA 268  38.608   6.416  -2.740
  150   1HB   ALA 268          1HB       ALA 268  39.116   3.992  -2.412
  151   2HB   ALA 268          2HB       ALA 268  40.181   4.435  -1.079
  152   3HB   ALA 268          3HB       ALA 268  40.550   4.972  -2.718
  153    H    VAL 269           H        VAL 269  38.806   5.777   0.739
  154    HA   VAL 269           HA       VAL 269  36.473   4.306   1.083
  155    HB   VAL 269           HB       VAL 269  38.335   5.098   2.779
  156   1HG1  VAL 269          1HG1      VAL 269  36.109   6.992   3.529
  157   2HG1  VAL 269          2HG1      VAL 269  37.441   7.515   2.498
  158   3HG1  VAL 269          3HG1      VAL 269  37.765   6.943   4.133
  159   1HG2  VAL 269          1HG2      VAL 269  36.577   4.697   4.636
  160   2HG2  VAL 269          2HG2      VAL 269  36.801   3.420   3.441
  161   3HG2  VAL 269          3HG2      VAL 269  35.422   4.512   3.316
  162    H    THR 270           H        THR 270  36.738   7.379  -0.185
  163    HA   THR 270           HA       THR 270  34.135   8.300   0.800
  164    HB   THR 270           HB       THR 270  34.743  10.411   0.121
  165    HG1  THR 270           HG1      THR 270  36.672  10.121  -1.643
  166   1HG2  THR 270          1HG2      THR 270  37.466   9.087   0.222
  167   2HG2  THR 270          2HG2      THR 270  36.507   9.490   1.646
  168   3HG2  THR 270          3HG2      THR 270  37.095  10.772   0.587
  169    H    VAL 271           H        VAL 271  35.612   6.827  -1.961
  170    HA   VAL 271           HA       VAL 271  33.120   7.185  -3.518
  171    HB   VAL 271           HB       VAL 271  35.998   6.919  -4.340
  172   1HG1  VAL 271          1HG1      VAL 271  35.095   5.315  -5.784
  173   2HG1  VAL 271          2HG1      VAL 271  34.899   6.797  -6.719
  174   3HG1  VAL 271          3HG1      VAL 271  33.525   6.114  -5.850
  175   1HG2  VAL 271          1HG2      VAL 271  34.632   9.127  -3.976
  176   2HG2  VAL 271          2HG2      VAL 271  33.879   8.706  -5.515
  177   3HG2  VAL 271          3HG2      VAL 271  35.621   8.964  -5.427
  178    H    VAL 272           H        VAL 272  35.824   4.874  -3.610
  179    HA   VAL 272           HA       VAL 272  34.475   2.682  -4.547
  180    HB   VAL 272           HB       VAL 272  36.992   3.023  -3.929
  181   1HG1  VAL 272          1HG1      VAL 272  37.694   2.215  -1.837
  182   2HG1  VAL 272          2HG1      VAL 272  36.165   1.388  -1.539
  183   3HG1  VAL 272          3HG1      VAL 272  36.252   3.146  -1.430
  184   1HG2  VAL 272          1HG2      VAL 272  36.463   1.083  -5.134
  185   2HG2  VAL 272          2HG2      VAL 272  35.364   0.493  -3.888
  186   3HG2  VAL 272          3HG2      VAL 272  37.107   0.416  -3.634
  187    H    LEU 273           H        LEU 273  33.912   4.225  -1.583
  188    HA   LEU 273           HA       LEU 273  32.859   1.809  -0.308
  189   1HB   LEU 273          1HB       LEU 273  34.178   3.976   0.721
  190   2HB   LEU 273          2HB       LEU 273  32.506   4.389   1.069
  191    HG   LEU 273           HG       LEU 273  33.392   3.147   2.948
  192   1HD1  LEU 273          1HD1      LEU 273  31.626   1.699   3.208
  193   2HD1  LEU 273          2HD1      LEU 273  31.811   1.004   1.600
  194   3HD1  LEU 273          3HD1      LEU 273  31.051   2.583   1.797
  195   1HD2  LEU 273          1HD2      LEU 273  34.930   1.523   2.691
  196   2HD2  LEU 273          2HD2      LEU 273  34.834   1.752   0.945
  197   3HD2  LEU 273          3HD2      LEU 273  33.802   0.562   1.736
  198    H    TYR 274           H        TYR 274  31.579   5.141  -0.514
  199    HA   TYR 274           HA       TYR 274  28.876   4.143  -0.429
  200   1HB   TYR 274          1HB       TYR 274  29.507   6.993  -1.083
  201   2HB   TYR 274          2HB       TYR 274  28.232   6.329  -0.066
  202    HD1  TYR 274           HD1      TYR 274  29.708   4.506   1.711
  203    HD2  TYR 274           HD2      TYR 274  30.755   8.424   0.296
  204    HE1  TYR 274           HE1      TYR 274  31.132   4.846   3.710
  205    HE2  TYR 274           HE2      TYR 274  32.181   8.765   2.296
  206    HH   TYR 274           HH       TYR 274  33.052   6.215   4.385
  207    H    LYS 275           H        LYS 275  30.139   6.554  -2.723
  208    HA   LYS 275           HA       LYS 275  28.319   6.301  -4.716
  209   1HB   LYS 275          1HB       LYS 275  31.255   6.427  -5.385
  210   2HB   LYS 275          2HB       LYS 275  29.913   7.162  -6.251
  211   1HG   LYS 275          1HG       LYS 275  30.910   7.950  -3.489
  212   2HG   LYS 275          2HG       LYS 275  31.137   8.867  -4.971
  213   1HD   LYS 275          1HD       LYS 275  28.494   8.286  -3.598
  214   2HD   LYS 275          2HD       LYS 275  29.301   9.843  -3.720
  215   1HE   LYS 275          1HE       LYS 275  29.184   9.390  -6.308
  216   2HE   LYS 275          2HE       LYS 275  27.884   8.288  -5.859
  217   1HZ   LYS 275          1HZ       LYS 275  27.990  11.096  -4.926
  218   2HZ   LYS 275          2HZ       LYS 275  26.672  10.026  -4.877
  219   3HZ   LYS 275          3HZ       LYS 275  27.213  10.642  -6.365
  220    H    LYS 276           H        LYS 276  30.752   3.957  -3.868
  221    HA   LYS 276           HA       LYS 276  29.454   1.881  -5.283
  222   1HB   LYS 276          1HB       LYS 276  31.522   1.479  -6.837
  223   2HB   LYS 276          2HB       LYS 276  30.264   2.609  -7.339
  224   1HG   LYS 276          1HG       LYS 276  31.563   4.498  -6.747
  225   2HG   LYS 276          2HG       LYS 276  32.672   3.535  -5.771
  226   1HD   LYS 276          1HD       LYS 276  32.448   2.788  -8.640
  227   2HD   LYS 276          2HD       LYS 276  33.253   4.317  -8.288
  228   1HE   LYS 276          1HE       LYS 276  34.828   3.213  -6.809
  229   2HE   LYS 276          2HE       LYS 276  33.961   1.684  -6.964
  230   1HZ   LYS 276          1HZ       LYS 276  35.797   1.598  -8.428
  231   2HZ   LYS 276          2HZ       LYS 276  35.458   3.134  -9.072
  232   3HZ   LYS 276          3HZ       LYS 276  34.424   1.826  -9.398
  233   1HN   NH2 277          1HN       NH2 277  32.880   1.602  -5.516
  234   2HN   NH2 277          2HN       NH2 277  33.119   0.727  -4.070
  Start of MODEL   20
    1   1H    HIS 250          1H        HIS 250  60.073  -8.584  11.382
    2   2H    HIS 250          2H        HIS 250  61.212  -7.853  10.356
    3   3H    HIS 250          3H        HIS 250  60.209  -9.094   9.770
    4    HA   HIS 250           HA       HIS 250  58.316  -7.463  10.511
    5   1HB   HIS 250          1HB       HIS 250  60.805  -5.795  10.194
    6   2HB   HIS 250          2HB       HIS 250  59.222  -5.125   9.795
    7    HD2  HIS 250           HD2      HIS 250  59.579  -7.537  12.881
    8    HE1  HIS 250           HE1      HIS 250  58.814  -3.646  14.330
    9    HE2  HIS 250           HE2      HIS 250  59.047  -6.088  14.987
   10    H    ILE 251           H        ILE 251  57.457  -8.554   8.753
   11    HA   ILE 251           HA       ILE 251  58.605  -8.516   6.144
   12    HB   ILE 251           HB       ILE 251  55.687  -8.973   6.738
   13   1HG1  ILE 251          1HG1      ILE 251  56.827 -10.281   8.404
   14   2HG1  ILE 251          2HG1      ILE 251  56.399 -11.387   7.099
   15   1HG2  ILE 251          1HG2      ILE 251  57.121  -9.036   4.401
   16   2HG2  ILE 251          2HG2      ILE 251  55.641  -9.950   4.687
   17   3HG2  ILE 251          3HG2      ILE 251  57.211 -10.720   4.916
   18   1HD1  ILE 251          1HD1      ILE 251  58.749 -10.860   6.148
   19   2HD1  ILE 251          2HD1      ILE 251  58.655 -11.911   7.562
   20   3HD1  ILE 251          3HD1      ILE 251  59.100 -10.215   7.752
   21    H    ASN 252           H        ASN 252  55.707  -7.909   5.144
   22    HA   ASN 252           HA       ASN 252  56.274  -5.105   4.554
   23   1HB   ASN 252          1HB       ASN 252  54.072  -5.518   3.148
   24   2HB   ASN 252          2HB       ASN 252  55.629  -6.127   2.589
   25   1HD2  ASN 252          1HD2      ASN 252  53.623  -7.465   5.246
   26   2HD2  ASN 252          2HD2      ASN 252  53.376  -8.970   4.503
   27    H    GLU 253           H        GLU 253  54.788  -6.675   6.995
   28    HA   GLU 253           HA       GLU 253  52.279  -5.771   7.440
   29   1HB   GLU 253          1HB       GLU 253  53.262  -5.288   9.893
   30   2HB   GLU 253          2HB       GLU 253  53.022  -6.922   9.270
   31   1HG   GLU 253          1HG       GLU 253  55.293  -7.226   8.814
   32   2HG   GLU 253          2HG       GLU 253  55.610  -5.494   8.732
   33    H    LEU 254           H        LEU 254  54.812  -3.903   9.057
   34    HA   LEU 254           HA       LEU 254  53.362  -1.536   9.236
   35   1HB   LEU 254          1HB       LEU 254  56.361  -1.589   8.936
   36   2HB   LEU 254          2HB       LEU 254  55.376  -0.489   9.900
   37    HG   LEU 254           HG       LEU 254  55.900  -3.426  10.415
   38   1HD1  LEU 254          1HD1      LEU 254  57.226  -1.122  11.228
   39   2HD1  LEU 254          2HD1      LEU 254  57.321  -2.696  12.017
   40   3HD1  LEU 254          3HD1      LEU 254  56.169  -1.489  12.591
   41   1HD2  LEU 254          1HD2      LEU 254  53.813  -1.553  11.539
   42   2HD2  LEU 254          2HD2      LEU 254  54.406  -2.929  12.470
   43   3HD2  LEU 254          3HD2      LEU 254  53.597  -3.192  10.925
   44    H    LEU 255           H        LEU 255  54.764  -2.977   6.499
   45    HA   LEU 255           HA       LEU 255  55.027  -0.472   5.018
   46   1HB   LEU 255          1HB       LEU 255  56.435  -2.792   4.885
   47   2HB   LEU 255          2HB       LEU 255  55.269  -3.048   3.588
   48    HG   LEU 255           HG       LEU 255  55.893  -0.636   2.848
   49   1HD1  LEU 255          1HD1      LEU 255  57.358  -0.658   5.155
   50   2HD1  LEU 255          2HD1      LEU 255  57.711   0.384   3.777
   51   3HD1  LEU 255          3HD1      LEU 255  58.581  -1.136   3.978
   52   1HD2  LEU 255          1HD2      LEU 255  57.753  -3.016   2.616
   53   2HD2  LEU 255          2HD2      LEU 255  57.940  -1.549   1.654
   54   3HD2  LEU 255          3HD2      LEU 255  56.485  -2.532   1.490
   55    H    HIS 256           H        HIS 256  52.515  -2.342   5.915
   56    HA   HIS 256           HA       HIS 256  50.977  -3.099   3.822
   57   1HB   HIS 256          1HB       HIS 256  50.342  -1.776   6.412
   58   2HB   HIS 256          2HB       HIS 256  49.051  -1.872   5.213
   59    HD2  HIS 256           HD2      HIS 256  51.521  -4.874   5.242
   60    HE1  HIS 256           HE1      HIS 256  47.979  -6.146   7.154
   61    HE2  HIS 256           HE2      HIS 256  50.211  -6.913   6.215
   62    H    ILE 257           H        ILE 257  51.937   0.156   4.589
   63    HA   ILE 257           HA       ILE 257  50.040   1.623   3.160
   64    HB   ILE 257           HB       ILE 257  52.993   2.185   3.527
   65   1HG1  ILE 257          1HG1      ILE 257  51.163   3.772   5.101
   66   2HG1  ILE 257          2HG1      ILE 257  50.857   2.058   5.380
   67   1HG2  ILE 257          1HG2      ILE 257  52.339   3.672   1.841
   68   2HG2  ILE 257          2HG2      ILE 257  52.006   4.604   3.300
   69   3HG2  ILE 257          3HG2      ILE 257  50.689   3.793   2.452
   70   1HD1  ILE 257          1HD1      ILE 257  53.272   1.711   5.820
   71   2HD1  ILE 257          2HD1      ILE 257  52.567   2.875   6.941
   72   3HD1  ILE 257          3HD1      ILE 257  53.549   3.437   5.589
   73    H    LEU 258           H        LEU 258  52.063  -0.742   2.000
   74    HA   LEU 258           HA       LEU 258  53.099   0.123  -0.398
   75   1HB   LEU 258          1HB       LEU 258  52.065  -2.463   0.619
   76   2HB   LEU 258          2HB       LEU 258  52.221  -2.322  -1.132
   77    HG   LEU 258           HG       LEU 258  54.476  -1.449   0.663
   78   1HD1  LEU 258          1HD1      LEU 258  54.396  -3.615   1.461
   79   2HD1  LEU 258          2HD1      LEU 258  55.311  -3.894  -0.021
   80   3HD1  LEU 258          3HD1      LEU 258  53.579  -4.227   0.023
   81   1HD2  LEU 258          1HD2      LEU 258  55.695  -1.428  -1.280
   82   2HD2  LEU 258          2HD2      LEU 258  54.104  -1.241  -2.017
   83   3HD2  LEU 258          3HD2      LEU 258  54.859  -2.833  -1.941
   84    H    VAL 259           H        VAL 259  50.147  -1.821  -0.514
   85    HA   VAL 259           HA       VAL 259  49.219  -0.238  -2.788
   86    HB   VAL 259           HB       VAL 259  47.890  -2.666  -1.581
   87   1HG1  VAL 259          1HG1      VAL 259  46.757  -2.819  -3.626
   88   2HG1  VAL 259          2HG1      VAL 259  47.958  -1.848  -4.476
   89   3HG1  VAL 259          3HG1      VAL 259  46.824  -1.075  -3.370
   90   1HG2  VAL 259          1HG2      VAL 259  49.958  -3.601  -2.047
   91   2HG2  VAL 259          2HG2      VAL 259  50.338  -2.402  -3.282
   92   3HG2  VAL 259          3HG2      VAL 259  49.218  -3.715  -3.644
   93    H    PHE 260           H        PHE 260  47.971  -1.333   0.369
   94    HA   PHE 260           HA       PHE 260  45.499  -0.227   0.463
   95   1HB   PHE 260          1HB       PHE 260  47.561  -0.829   2.435
   96   2HB   PHE 260          2HB       PHE 260  46.525   0.507   2.934
   97    HD1  PHE 260           HD1      PHE 260  46.764  -3.067   2.431
   98    HD2  PHE 260           HD2      PHE 260  44.006   0.193   2.892
   99    HE1  PHE 260           HE1      PHE 260  44.957  -4.673   2.982
  100    HE2  PHE 260           HE2      PHE 260  42.199  -1.413   3.442
  101    HZ   PHE 260           HZ       PHE 260  42.675  -3.846   3.487
  102    H    GLY 261           H        GLY 261  48.563   1.506   0.725
  103   1HA   GLY 261          1HA       GLY 261  49.059   3.756   0.761
  104   2HA   GLY 261          2HA       GLY 261  47.709   3.896  -0.360
  105    H    GLU 262           H        GLU 262  48.473   3.691   3.104
  106    HA   GLU 262           HA       GLU 262  46.104   4.277   4.300
  107   1HB   GLU 262          1HB       GLU 262  48.754   5.575   4.978
  108   2HB   GLU 262          2HB       GLU 262  47.367   5.426   6.057
  109   1HG   GLU 262          1HG       GLU 262  48.745   3.053   4.778
  110   2HG   GLU 262          2HG       GLU 262  49.143   3.657   6.386
  111    H    SER 263           H        SER 263  48.272   6.619   2.743
  112    HA   SER 263           HA       SER 263  46.911   8.970   3.358
  113   1HB   SER 263          1HB       SER 263  48.625   8.139   1.038
  114   2HB   SER 263          2HB       SER 263  47.851   9.721   1.051
  115    HG   SER 263           HG       SER 263  50.069   9.344   2.078
  116    H    LEU 264           H        LEU 264  46.106   6.437   1.116
  117    HA   LEU 264           HA       LEU 264  44.092   8.046  -0.246
  118   1HB   LEU 264          1HB       LEU 264  44.543   5.075  -0.530
  119   2HB   LEU 264          2HB       LEU 264  43.790   6.176  -1.683
  120    HG   LEU 264           HG       LEU 264  46.699   6.211  -0.830
  121   1HD1  LEU 264          1HD1      LEU 264  47.094   5.593  -3.205
  122   2HD1  LEU 264          2HD1      LEU 264  45.351   5.479  -3.449
  123   3HD1  LEU 264          3HD1      LEU 264  46.163   4.362  -2.351
  124   1HD2  LEU 264          1HD2      LEU 264  46.261   8.450  -1.302
  125   2HD2  LEU 264          2HD2      LEU 264  44.984   8.063  -2.455
  126   3HD2  LEU 264          3HD2      LEU 264  46.675   7.849  -2.907
  127    H    LEU 265           H        LEU 265  44.332   5.970   2.471
  128    HA   LEU 265           HA       LEU 265  41.966   4.657   2.712
  129   1HB   LEU 265          1HB       LEU 265  43.857   4.940   4.441
  130   2HB   LEU 265          2HB       LEU 265  42.961   6.358   4.989
  131    HG   LEU 265           HG       LEU 265  40.922   4.645   4.934
  132   1HD1  LEU 265          1HD1      LEU 265  42.705   2.898   4.080
  133   2HD1  LEU 265          2HD1      LEU 265  41.476   2.402   5.244
  134   3HD1  LEU 265          3HD1      LEU 265  43.109   2.775   5.793
  135   1HD2  LEU 265          1HD2      LEU 265  41.618   5.842   6.930
  136   2HD2  LEU 265          2HD2      LEU 265  43.049   4.824   7.091
  137   3HD2  LEU 265          3HD2      LEU 265  41.445   4.137   7.344
  138    H    ASN 266           H        ASN 266  42.415   8.086   2.568
  139    HA   ASN 266           HA       ASN 266  39.715   8.657   3.527
  140   1HB   ASN 266          1HB       ASN 266  41.923  10.457   2.506
  141   2HB   ASN 266          2HB       ASN 266  40.360  11.027   3.092
  142   1HD2  ASN 266          1HD2      ASN 266  42.413   8.384   4.412
  143   2HD2  ASN 266          2HD2      ASN 266  42.598   9.095   5.943
  144    H    ASP 267           H        ASP 267  41.616   9.010   0.536
  145    HA   ASP 267           HA       ASP 267  39.302   9.832  -0.992
  146   1HB   ASP 267          1HB       ASP 267  42.185   9.278  -1.619
  147   2HB   ASP 267          2HB       ASP 267  41.009   9.418  -2.923
  148    H    ALA 268           H        ALA 268  40.175   6.944   0.266
  149    HA   ALA 268           HA       ALA 268  39.458   5.317  -2.061
  150   1HB   ALA 268          1HB       ALA 268  39.807   3.466  -0.213
  151   2HB   ALA 268          2HB       ALA 268  40.641   4.770   0.632
  152   3HB   ALA 268          3HB       ALA 268  41.196   4.255  -0.961
  153    H    VAL 269           H        VAL 269  38.267   6.153   1.163
  154    HA   VAL 269           HA       VAL 269  36.084   4.408   1.299
  155    HB   VAL 269           HB       VAL 269  37.058   6.068   3.066
  156   1HG1  VAL 269          1HG1      VAL 269  36.073   8.200   3.192
  157   2HG1  VAL 269          2HG1      VAL 269  34.758   7.758   2.102
  158   3HG1  VAL 269          3HG1      VAL 269  36.383   8.013   1.466
  159   1HG2  VAL 269          1HG2      VAL 269  34.888   6.016   4.266
  160   2HG2  VAL 269          2HG2      VAL 269  35.232   4.470   3.490
  161   3HG2  VAL 269          3HG2      VAL 269  34.076   5.585   2.761
  162    H    THR 270           H        THR 270  36.556   7.302  -0.558
  163    HA   THR 270           HA       THR 270  33.709   7.520  -1.197
  164    HB   THR 270           HB       THR 270  35.160   9.552  -0.798
  165    HG1  THR 270           HG1      THR 270  33.618   9.047  -3.063
  166   1HG2  THR 270          1HG2      THR 270  36.916  10.076  -2.176
  167   2HG2  THR 270          2HG2      THR 270  36.186   9.292  -3.577
  168   3HG2  THR 270          3HG2      THR 270  36.985   8.323  -2.341
  169    H    VAL 271           H        VAL 271  36.173   5.613  -2.167
  170    HA   VAL 271           HA       VAL 271  35.375   5.605  -5.009
  171    HB   VAL 271           HB       VAL 271  37.812   4.488  -3.607
  172   1HG1  VAL 271          1HG1      VAL 271  37.345   2.912  -5.311
  173   2HG1  VAL 271          2HG1      VAL 271  38.491   4.026  -6.058
  174   3HG1  VAL 271          3HG1      VAL 271  36.769   4.156  -6.420
  175   1HG2  VAL 271          1HG2      VAL 271  39.000   6.218  -4.644
  176   2HG2  VAL 271          2HG2      VAL 271  37.481   7.018  -4.242
  177   3HG2  VAL 271          3HG2      VAL 271  37.770   6.450  -5.886
  178    H    VAL 272           H        VAL 272  35.996   3.452  -2.244
  179    HA   VAL 272           HA       VAL 272  34.897   1.149  -3.577
  180    HB   VAL 272           HB       VAL 272  36.659   1.184  -1.697
  181   1HG1  VAL 272          1HG1      VAL 272  34.265   1.081   0.118
  182   2HG1  VAL 272          2HG1      VAL 272  34.982   2.638  -0.291
  183   3HG1  VAL 272          3HG1      VAL 272  35.950   1.407   0.520
  184   1HG2  VAL 272          1HG2      VAL 272  36.100  -0.987  -2.133
  185   2HG2  VAL 272          2HG2      VAL 272  34.370  -0.640  -2.143
  186   3HG2  VAL 272          3HG2      VAL 272  35.216  -0.865  -0.611
  187    H    LEU 273           H        LEU 273  33.644   3.797  -1.820
  188    HA   LEU 273           HA       LEU 273  31.171   2.429  -1.071
  189   1HB   LEU 273          1HB       LEU 273  32.264   4.094   0.449
  190   2HB   LEU 273          2HB       LEU 273  31.938   5.341  -0.750
  191    HG   LEU 273           HG       LEU 273  29.459   4.222  -0.500
  192   1HD1  LEU 273          1HD1      LEU 273  30.668   4.211   2.277
  193   2HD1  LEU 273          2HD1      LEU 273  30.363   2.750   1.337
  194   3HD1  LEU 273          3HD1      LEU 273  29.017   3.777   1.833
  195   1HD2  LEU 273          1HD2      LEU 273  30.005   6.620  -0.406
  196   2HD2  LEU 273          2HD2      LEU 273  30.677   6.411   1.212
  197   3HD2  LEU 273          3HD2      LEU 273  28.951   6.176   0.937
  198    H    TYR 274           H        TYR 274  32.391   4.766  -3.394
  199    HA   TYR 274           HA       TYR 274  29.795   5.462  -4.427
  200   1HB   TYR 274          1HB       TYR 274  32.633   6.022  -5.229
  201   2HB   TYR 274          2HB       TYR 274  31.312   6.385  -6.339
  202    HD1  TYR 274           HD1      TYR 274  30.602   8.599  -6.272
  203    HD2  TYR 274           HD2      TYR 274  31.907   6.720  -2.634
  204    HE1  TYR 274           HE1      TYR 274  30.128  10.686  -5.022
  205    HE2  TYR 274           HE2      TYR 274  31.436   8.808  -1.387
  206    HH   TYR 274           HH       TYR 274  29.616  10.960  -2.031
  207    H    LYS 275           H        LYS 275  32.559   3.610  -5.728
  208    HA   LYS 275           HA       LYS 275  31.193   2.674  -8.024
  209   1HB   LYS 275          1HB       LYS 275  33.556   1.463  -6.567
  210   2HB   LYS 275          2HB       LYS 275  33.038   1.053  -8.204
  211   1HG   LYS 275          1HG       LYS 275  33.218   3.853  -8.190
  212   2HG   LYS 275          2HG       LYS 275  34.640   3.304  -7.303
  213   1HD   LYS 275          1HD       LYS 275  35.242   3.381  -9.635
  214   2HD   LYS 275          2HD       LYS 275  35.080   1.682  -9.192
  215   1HE   LYS 275          1HE       LYS 275  32.501   2.504  -9.968
  216   2HE   LYS 275          2HE       LYS 275  33.597   3.194 -11.165
  217   1HZ   LYS 275          1HZ       LYS 275  32.941   0.429 -10.640
  218   2HZ   LYS 275          2HZ       LYS 275  34.599   0.728 -10.858
  219   3HZ   LYS 275          3HZ       LYS 275  33.488   1.163 -12.067
  220    H    LYS 276           H        LYS 276  30.803   1.919  -4.774
  221    HA   LYS 276           HA       LYS 276  29.997  -0.849  -5.178
  222   1HB   LYS 276          1HB       LYS 276  30.953  -0.614  -3.077
  223   2HB   LYS 276          2HB       LYS 276  30.259   0.988  -2.826
  224   1HG   LYS 276          1HG       LYS 276  28.127   0.117  -2.304
  225   2HG   LYS 276          2HG       LYS 276  28.494  -1.451  -3.028
  226   1HD   LYS 276          1HD       LYS 276  28.550  -1.581  -0.564
  227   2HD   LYS 276          2HD       LYS 276  30.145  -1.893  -1.250
  228   1HE   LYS 276          1HE       LYS 276  31.011   0.118  -0.506
  229   2HE   LYS 276          2HE       LYS 276  29.445   0.929  -0.543
  230   1HZ   LYS 276          1HZ       LYS 276  30.698  -0.510   1.589
  231   2HZ   LYS 276          2HZ       LYS 276  29.116  -1.053   1.291
  232   3HZ   LYS 276          3HZ       LYS 276  29.404   0.585   1.639
  233   1HN   NH2 277          1HN       NH2 277  28.359   2.226  -4.255
  234   2HN   NH2 277          2HN       NH2 277  26.805   1.699  -4.723
  Start of MODEL   21
    1   1H    HIS 250          1H        HIS 250  54.073 -14.294  -7.182
    2   2H    HIS 250          2H        HIS 250  53.621 -15.426  -5.997
    3   3H    HIS 250          3H        HIS 250  54.940 -14.389  -5.727
    4    HA   HIS 250           HA       HIS 250  52.525 -12.966  -6.329
    5   1HB   HIS 250          1HB       HIS 250  51.518 -14.885  -5.165
    6   2HB   HIS 250          2HB       HIS 250  52.665 -14.693  -3.838
    7    HD2  HIS 250           HD2      HIS 250  51.389 -11.289  -5.072
    8    HE1  HIS 250           HE1      HIS 250  49.031 -12.292  -1.716
    9    HE2  HIS 250           HE2      HIS 250  49.641 -10.430  -3.332
   10    H    ILE 251           H        ILE 251  53.553 -11.054  -6.180
   11    HA   ILE 251           HA       ILE 251  55.466 -10.607  -3.995
   12    HB   ILE 251           HB       ILE 251  55.005  -8.420  -5.900
   13   1HG1  ILE 251          1HG1      ILE 251  54.604 -10.266  -7.445
   14   2HG1  ILE 251          2HG1      ILE 251  56.206  -9.600  -7.749
   15   1HG2  ILE 251          1HG2      ILE 251  56.881  -8.528  -4.286
   16   2HG2  ILE 251          2HG2      ILE 251  57.461  -8.461  -5.950
   17   3HG2  ILE 251          3HG2      ILE 251  57.465  -9.992  -5.076
   18   1HD1  ILE 251          1HD1      ILE 251  56.627 -11.572  -5.797
   19   2HD1  ILE 251          2HD1      ILE 251  57.014 -11.691  -7.511
   20   3HD1  ILE 251          3HD1      ILE 251  55.466 -12.285  -6.915
   21    H    ASN 252           H        ASN 252  55.335  -7.989  -3.512
   22    HA   ASN 252           HA       ASN 252  53.126  -7.715  -1.782
   23   1HB   ASN 252          1HB       ASN 252  53.998  -5.138  -2.184
   24   2HB   ASN 252          2HB       ASN 252  54.679  -6.269  -1.016
   25   1HD2  ASN 252          1HD2      ASN 252  54.973  -6.396  -4.592
   26   2HD2  ASN 252          2HD2      ASN 252  56.663  -6.247  -4.607
   27    H    GLU 253           H        GLU 253  53.120  -7.637  -5.063
   28    HA   GLU 253           HA       GLU 253  51.784  -5.489  -6.021
   29   1HB   GLU 253          1HB       GLU 253  51.433  -8.420  -6.568
   30   2HB   GLU 253          2HB       GLU 253  50.403  -7.238  -7.379
   31   1HG   GLU 253          1HG       GLU 253  52.386  -6.060  -8.220
   32   2HG   GLU 253          2HG       GLU 253  53.435  -7.202  -7.382
   33    H    LEU 254           H        LEU 254  50.055  -8.299  -4.638
   34    HA   LEU 254           HA       LEU 254  47.567  -6.906  -4.495
   35   1HB   LEU 254          1HB       LEU 254  48.247  -9.334  -2.852
   36   2HB   LEU 254          2HB       LEU 254  46.693  -8.871  -3.548
   37    HG   LEU 254           HG       LEU 254  49.150  -9.812  -5.054
   38   1HD1  LEU 254          1HD1      LEU 254  48.079 -11.818  -5.291
   39   2HD1  LEU 254          2HD1      LEU 254  46.485 -11.068  -5.386
   40   3HD1  LEU 254          3HD1      LEU 254  47.252 -11.312  -3.817
   41   1HD2  LEU 254          1HD2      LEU 254  47.525  -9.642  -7.035
   42   2HD2  LEU 254          2HD2      LEU 254  48.163  -8.118  -6.416
   43   3HD2  LEU 254          3HD2      LEU 254  46.528  -8.627  -5.992
   44    H    LEU 255           H        LEU 255  50.348  -6.971  -2.504
   45    HA   LEU 255           HA       LEU 255  48.896  -6.151  -0.103
   46   1HB   LEU 255          1HB       LEU 255  51.889  -6.281  -0.420
   47   2HB   LEU 255          2HB       LEU 255  50.938  -6.392   1.061
   48    HG   LEU 255           HG       LEU 255  50.974  -8.427  -1.188
   49   1HD1  LEU 255          1HD1      LEU 255  52.297  -9.766   0.178
   50   2HD1  LEU 255          2HD1      LEU 255  51.766  -8.962   1.655
   51   3HD1  LEU 255          3HD1      LEU 255  52.920  -8.167   0.585
   52   1HD2  LEU 255          1HD2      LEU 255  49.294  -8.081   1.279
   53   2HD2  LEU 255          2HD2      LEU 255  49.676  -9.708   0.717
   54   3HD2  LEU 255          3HD2      LEU 255  48.805  -8.593  -0.336
   55    H    HIS 256           H        HIS 256  49.629  -4.612  -2.824
   56    HA   HIS 256           HA       HIS 256  51.152  -2.418  -2.491
   57   1HB   HIS 256          1HB       HIS 256  48.522  -2.846  -3.812
   58   2HB   HIS 256          2HB       HIS 256  49.054  -1.177  -3.602
   59    HD2  HIS 256           HD2      HIS 256  51.882  -3.767  -4.246
   60    HE1  HIS 256           HE1      HIS 256  51.265  -1.659  -7.852
   61    HE2  HIS 256           HE2      HIS 256  52.777  -3.314  -6.657
   62    H    ILE 257           H        ILE 257  48.290  -3.170  -0.692
   63    HA   ILE 257           HA       ILE 257  47.442  -0.734   0.259
   64    HB   ILE 257           HB       ILE 257  47.746  -3.314   1.814
   65   1HG1  ILE 257          1HG1      ILE 257  45.066  -2.629   1.017
   66   2HG1  ILE 257          2HG1      ILE 257  46.114  -2.605  -0.403
   67   1HG2  ILE 257          1HG2      ILE 257  45.642  -2.124   2.946
   68   2HG2  ILE 257          2HG2      ILE 257  46.487  -0.670   2.416
   69   3HG2  ILE 257          3HG2      ILE 257  47.284  -1.806   3.504
   70   1HD1  ILE 257          1HD1      ILE 257  45.960  -4.884   1.593
   71   2HD1  ILE 257          2HD1      ILE 257  46.916  -4.857   0.111
   72   3HD1  ILE 257          3HD1      ILE 257  45.156  -4.864   0.023
   73    H    LEU 258           H        LEU 258  50.498  -2.226   0.734
   74    HA   LEU 258           HA       LEU 258  51.123  -0.726   3.146
   75   1HB   LEU 258          1HB       LEU 258  53.246  -1.831   3.105
   76   2HB   LEU 258          2HB       LEU 258  52.032  -3.035   2.682
   77    HG   LEU 258           HG       LEU 258  52.661  -2.017   0.212
   78   1HD1  LEU 258          1HD1      LEU 258  54.971  -1.602   0.020
   79   2HD1  LEU 258          2HD1      LEU 258  55.324  -2.321   1.590
   80   3HD1  LEU 258          3HD1      LEU 258  54.545  -0.744   1.500
   81   1HD2  LEU 258          1HD2      LEU 258  52.493  -4.403   0.850
   82   2HD2  LEU 258          2HD2      LEU 258  54.048  -4.290   1.670
   83   3HD2  LEU 258          3HD2      LEU 258  53.958  -4.098  -0.080
   84    H    VAL 259           H        VAL 259  51.462  -0.391  -0.288
   85    HA   VAL 259           HA       VAL 259  53.617   1.316  -0.568
   86    HB   VAL 259           HB       VAL 259  50.946   1.561  -1.977
   87   1HG1  VAL 259          1HG1      VAL 259  52.368   3.509  -2.349
   88   2HG1  VAL 259          2HG1      VAL 259  52.359   2.513  -3.803
   89   3HG1  VAL 259          3HG1      VAL 259  53.745   2.469  -2.713
   90   1HG2  VAL 259          1HG2      VAL 259  53.209   0.225  -3.316
   91   2HG2  VAL 259          2HG2      VAL 259  51.508  -0.236  -3.254
   92   3HG2  VAL 259          3HG2      VAL 259  52.583  -0.651  -1.920
   93    H    PHE 260           H        PHE 260  50.315   2.597  -0.598
   94    HA   PHE 260           HA       PHE 260  51.251   5.095   0.567
   95   1HB   PHE 260          1HB       PHE 260  48.565   5.400   0.299
   96   2HB   PHE 260          2HB       PHE 260  49.723   5.708  -0.998
   97    HD1  PHE 260           HD1      PHE 260  47.149   3.434   0.277
   98    HD2  PHE 260           HD2      PHE 260  50.124   4.030  -2.763
   99    HE1  PHE 260           HE1      PHE 260  46.143   1.607  -1.066
  100    HE2  PHE 260           HE2      PHE 260  49.120   2.203  -4.106
  101    HZ   PHE 260           HZ       PHE 260  47.128   0.992  -3.257
  102    H    GLY 261           H        GLY 261  48.558   2.851   1.250
  103   1HA   GLY 261          1HA       GLY 261  48.101   1.914   3.392
  104   2HA   GLY 261          2HA       GLY 261  49.043   3.207   4.128
  105    H    GLU 262           H        GLU 262  48.062   5.111   4.679
  106    HA   GLU 262           HA       GLU 262  45.132   5.124   4.545
  107   1HB   GLU 262          1HB       GLU 262  46.872   7.064   6.062
  108   2HB   GLU 262          2HB       GLU 262  45.182   6.651   6.354
  109   1HG   GLU 262          1HG       GLU 262  46.104   5.293   7.951
  110   2HG   GLU 262          2HG       GLU 262  46.274   4.197   6.582
  111    H    SER 263           H        SER 263  47.810   6.512   2.995
  112    HA   SER 263           HA       SER 263  47.089   9.112   2.426
  113   1HB   SER 263          1HB       SER 263  49.014   7.363   1.509
  114   2HB   SER 263          2HB       SER 263  48.057   7.680   0.064
  115    HG   SER 263           HG       SER 263  49.144   9.633   1.820
  116    H    LEU 264           H        LEU 264  46.178   6.219   0.535
  117    HA   LEU 264           HA       LEU 264  44.254   7.777  -0.995
  118   1HB   LEU 264          1HB       LEU 264  44.632   4.787  -1.110
  119   2HB   LEU 264          2HB       LEU 264  44.019   5.863  -2.366
  120    HG   LEU 264           HG       LEU 264  46.857   5.708  -1.317
  121   1HD1  LEU 264          1HD1      LEU 264  47.394   5.082  -3.604
  122   2HD1  LEU 264          2HD1      LEU 264  45.724   5.345  -4.107
  123   3HD1  LEU 264          3HD1      LEU 264  46.118   4.016  -3.016
  124   1HD2  LEU 264          1HD2      LEU 264  45.461   7.746  -3.056
  125   2HD2  LEU 264          2HD2      LEU 264  47.200   7.478  -3.174
  126   3HD2  LEU 264          3HD2      LEU 264  46.494   8.026  -1.654
  127    H    LEU 265           H        LEU 265  44.209   5.081   1.326
  128    HA   LEU 265           HA       LEU 265  41.602   4.356   1.416
  129   1HB   LEU 265          1HB       LEU 265  43.655   3.823   3.018
  130   2HB   LEU 265          2HB       LEU 265  42.846   5.003   4.050
  131    HG   LEU 265           HG       LEU 265  40.697   3.571   3.423
  132   1HD1  LEU 265          1HD1      LEU 265  41.144   1.257   3.041
  133   2HD1  LEU 265          2HD1      LEU 265  42.867   1.464   3.358
  134   3HD1  LEU 265          3HD1      LEU 265  42.155   2.127   1.887
  135   1HD2  LEU 265          1HD2      LEU 265  41.118   2.222   5.471
  136   2HD2  LEU 265          2HD2      LEU 265  41.546   3.918   5.698
  137   3HD2  LEU 265          3HD2      LEU 265  42.810   2.718   5.428
  138    H    ASN 266           H        ASN 266  42.925   7.428   2.430
  139    HA   ASN 266           HA       ASN 266  40.633   8.343   3.863
  140   1HB   ASN 266          1HB       ASN 266  43.202   9.426   2.983
  141   2HB   ASN 266          2HB       ASN 266  41.899  10.611   2.922
  142   1HD2  ASN 266          1HD2      ASN 266  42.720   7.928   5.205
  143   2HD2  ASN 266          2HD2      ASN 266  42.612   8.895   6.596
  144    H    ASP 267           H        ASP 267  41.822   8.900   0.555
  145    HA   ASP 267           HA       ASP 267  39.340  10.268  -0.153
  146   1HB   ASP 267          1HB       ASP 267  42.044  10.279  -1.110
  147   2HB   ASP 267          2HB       ASP 267  40.963   9.859  -2.437
  148    H    ALA 268           H        ALA 268  40.212   7.142   0.170
  149    HA   ALA 268           HA       ALA 268  38.991   6.149  -2.293
  150   1HB   ALA 268          1HB       ALA 268  39.765   4.343  -0.047
  151   2HB   ALA 268          2HB       ALA 268  41.046   5.158  -0.942
  152   3HB   ALA 268          3HB       ALA 268  39.915   4.100  -1.787
  153    H    VAL 269           H        VAL 269  38.363   6.223   1.192
  154    HA   VAL 269           HA       VAL 269  36.217   4.593   1.507
  155    HB   VAL 269           HB       VAL 269  35.381   6.157   3.216
  156   1HG1  VAL 269          1HG1      VAL 269  37.071   5.373   4.477
  157   2HG1  VAL 269          2HG1      VAL 269  38.136   6.620   3.831
  158   3HG1  VAL 269          3HG1      VAL 269  38.010   5.060   3.017
  159   1HG2  VAL 269          1HG2      VAL 269  37.217   8.038   1.742
  160   2HG2  VAL 269          2HG2      VAL 269  36.847   8.301   3.445
  161   3HG2  VAL 269          3HG2      VAL 269  35.549   8.299   2.251
  162    H    THR 270           H        THR 270  36.147   7.840   0.068
  163    HA   THR 270           HA       THR 270  33.413   8.169  -0.248
  164    HB   THR 270           HB       THR 270  34.651  10.037  -0.862
  165    HG1  THR 270           HG1      THR 270  33.224   9.989  -2.462
  166   1HG2  THR 270          1HG2      THR 270  36.457   9.697  -2.760
  167   2HG2  THR 270          2HG2      THR 270  36.417   8.023  -2.206
  168   3HG2  THR 270          3HG2      THR 270  36.847   9.314  -1.084
  169    H    VAL 271           H        VAL 271  35.306   5.699  -1.498
  170    HA   VAL 271           HA       VAL 271  33.168   4.966  -3.388
  171    HB   VAL 271           HB       VAL 271  36.136   5.001  -3.946
  172   1HG1  VAL 271          1HG1      VAL 271  35.523   2.896  -4.786
  173   2HG1  VAL 271          2HG1      VAL 271  35.279   3.951  -6.178
  174   3HG1  VAL 271          3HG1      VAL 271  33.898   3.433  -5.210
  175   1HG2  VAL 271          1HG2      VAL 271  33.784   6.075  -5.530
  176   2HG2  VAL 271          2HG2      VAL 271  35.496   6.376  -5.829
  177   3HG2  VAL 271          3HG2      VAL 271  34.720   7.048  -4.395
  178    H    VAL 272           H        VAL 272  35.975   3.955  -1.482
  179    HA   VAL 272           HA       VAL 272  35.419   1.146  -1.763
  180    HB   VAL 272           HB       VAL 272  37.220   2.668   0.133
  181   1HG1  VAL 272          1HG1      VAL 272  36.925   0.671   1.281
  182   2HG1  VAL 272          2HG1      VAL 272  38.242   0.222   0.196
  183   3HG1  VAL 272          3HG1      VAL 272  36.584  -0.243  -0.187
  184   1HG2  VAL 272          1HG2      VAL 272  37.874   2.806  -2.233
  185   2HG2  VAL 272          2HG2      VAL 272  37.749   1.053  -2.383
  186   3HG2  VAL 272          3HG2      VAL 272  38.993   1.764  -1.355
  187    H    LEU 273           H        LEU 273  33.877   3.559  -0.091
  188    HA   LEU 273           HA       LEU 273  33.245   1.986   2.283
  189   1HB   LEU 273          1HB       LEU 273  33.570   4.447   2.433
  190   2HB   LEU 273          2HB       LEU 273  32.156   4.670   1.401
  191    HG   LEU 273           HG       LEU 273  31.442   2.867   3.502
  192   1HD1  LEU 273          1HD1      LEU 273  31.791   4.354   5.451
  193   2HD1  LEU 273          2HD1      LEU 273  32.727   5.451   4.437
  194   3HD1  LEU 273          3HD1      LEU 273  33.327   3.825   4.763
  195   1HD2  LEU 273          1HD2      LEU 273  29.828   4.702   4.016
  196   2HD2  LEU 273          2HD2      LEU 273  29.890   4.325   2.294
  197   3HD2  LEU 273          3HD2      LEU 273  30.715   5.755   2.914
  198    H    TYR 274           H        TYR 274  31.041   3.839   0.204
  199    HA   TYR 274           HA       TYR 274  28.776   2.319   0.635
  200   1HB   TYR 274          1HB       TYR 274  27.824   3.671  -0.910
  201   2HB   TYR 274          2HB       TYR 274  29.377   4.505  -0.902
  202    HD1  TYR 274           HD1      TYR 274  31.249   3.167  -2.379
  203    HD2  TYR 274           HD2      TYR 274  27.001   3.104  -3.018
  204    HE1  TYR 274           HE1      TYR 274  31.614   2.534  -4.748
  205    HE2  TYR 274           HE2      TYR 274  27.366   2.471  -5.385
  206    HH   TYR 274           HH       TYR 274  30.050   2.880  -7.004
  207    H    LYS 275           H        LYS 275  31.565   1.558  -1.235
  208    HA   LYS 275           HA       LYS 275  30.651  -0.193  -3.148
  209   1HB   LYS 275          1HB       LYS 275  32.966   0.279  -3.132
  210   2HB   LYS 275          2HB       LYS 275  33.137  -0.183  -1.444
  211   1HG   LYS 275          1HG       LYS 275  34.095  -1.871  -3.013
  212   2HG   LYS 275          2HG       LYS 275  32.820  -2.543  -2.008
  213   1HD   LYS 275          1HD       LYS 275  32.606  -3.244  -4.377
  214   2HD   LYS 275          2HD       LYS 275  31.214  -2.299  -3.862
  215   1HE   LYS 275          1HE       LYS 275  31.836  -0.446  -5.130
  216   2HE   LYS 275          2HE       LYS 275  33.546  -0.871  -5.093
  217   1HZ   LYS 275          1HZ       LYS 275  31.490  -2.436  -6.549
  218   2HZ   LYS 275          2HZ       LYS 275  33.177  -2.624  -6.630
  219   3HZ   LYS 275          3HZ       LYS 275  32.443  -1.233  -7.272
  220    H    LYS 276           H        LYS 276  31.849  -1.262   0.044
  221    HA   LYS 276           HA       LYS 276  30.255  -3.701  -0.199
  222   1HB   LYS 276          1HB       LYS 276  32.454  -4.139   0.551
  223   2HB   LYS 276          2HB       LYS 276  32.419  -2.795   1.695
  224   1HG   LYS 276          1HG       LYS 276  31.014  -3.937   3.190
  225   2HG   LYS 276          2HG       LYS 276  30.443  -5.053   1.949
  226   1HD   LYS 276          1HD       LYS 276  32.065  -6.086   3.573
  227   2HD   LYS 276          2HD       LYS 276  32.583  -6.182   1.890
  228   1HE   LYS 276          1HE       LYS 276  34.162  -4.436   2.158
  229   2HE   LYS 276          2HE       LYS 276  33.432  -3.898   3.671
  230   1HZ   LYS 276          1HZ       LYS 276  34.228  -6.632   3.791
  231   2HZ   LYS 276          2HZ       LYS 276  34.639  -5.341   4.818
  232   3HZ   LYS 276          3HZ       LYS 276  35.538  -5.625   3.405
  233   1HN   NH2 277          1HN       NH2 277  30.725  -1.199   2.369
  234   2HN   NH2 277          2HN       NH2 277  29.139  -1.341   2.984
  Start of MODEL   22
    1   1H    HIS 250          1H        HIS 250  61.960  -6.391  12.653
    2   2H    HIS 250          2H        HIS 250  61.876  -5.939  11.018
    3   3H    HIS 250          3H        HIS 250  60.780  -7.076  11.647
    4    HA   HIS 250           HA       HIS 250  59.459  -5.532  12.585
    5   1HB   HIS 250          1HB       HIS 250  61.944  -4.663  13.605
    6   2HB   HIS 250          2HB       HIS 250  61.202  -3.243  12.868
    7    HD2  HIS 250           HD2      HIS 250  58.054  -3.849  13.673
    8    HE1  HIS 250           HE1      HIS 250  59.490  -4.023  17.638
    9    HE2  HIS 250           HE2      HIS 250  57.412  -3.766  16.202
   10    H    ILE 251           H        ILE 251  58.531  -3.409  11.875
   11    HA   ILE 251           HA       ILE 251  59.513  -2.531   9.248
   12    HB   ILE 251           HB       ILE 251  56.923  -2.445   8.666
   13   1HG1  ILE 251          1HG1      ILE 251  55.752  -4.423   9.558
   14   2HG1  ILE 251          2HG1      ILE 251  57.138  -4.804  10.576
   15   1HG2  ILE 251          1HG2      ILE 251  58.913  -4.680   8.470
   16   2HG2  ILE 251          2HG2      ILE 251  58.280  -3.633   7.200
   17   3HG2  ILE 251          3HG2      ILE 251  57.277  -4.925   7.860
   18   1HD1  ILE 251          1HD1      ILE 251  55.273  -3.584  11.765
   19   2HD1  ILE 251          2HD1      ILE 251  55.608  -2.193  10.738
   20   3HD1  ILE 251          3HD1      ILE 251  56.837  -2.778  11.859
   21    H    ASN 252           H        ASN 252  60.040  -1.094  11.415
   22    HA   ASN 252           HA       ASN 252  58.110   0.717  12.341
   23   1HB   ASN 252          1HB       ASN 252  59.840   1.739  13.415
   24   2HB   ASN 252          2HB       ASN 252  60.689   0.263  12.957
   25   1HD2  ASN 252          1HD2      ASN 252  61.619   0.465  10.531
   26   2HD2  ASN 252          2HD2      ASN 252  62.417   1.927  10.208
   27    H    GLU 253           H        GLU 253  58.952   0.291   9.217
   28    HA   GLU 253           HA       GLU 253  59.008   3.097   8.436
   29   1HB   GLU 253          1HB       GLU 253  59.337   2.234   6.174
   30   2HB   GLU 253          2HB       GLU 253  60.469   1.461   7.282
   31   1HG   GLU 253          1HG       GLU 253  58.361  -0.249   7.469
   32   2HG   GLU 253          2HG       GLU 253  58.184   0.295   5.801
   33    H    LEU 254           H        LEU 254  56.684   1.114   9.454
   34    HA   LEU 254           HA       LEU 254  54.671   1.015   7.562
   35   1HB   LEU 254          1HB       LEU 254  53.099   0.944   9.438
   36   2HB   LEU 254          2HB       LEU 254  54.524  -0.030   9.795
   37    HG   LEU 254           HG       LEU 254  55.125   2.590  10.678
   38   1HD1  LEU 254          1HD1      LEU 254  52.634   2.955  10.556
   39   2HD1  LEU 254          2HD1      LEU 254  53.298   3.115  12.182
   40   3HD1  LEU 254          3HD1      LEU 254  52.439   1.645  11.721
   41   1HD2  LEU 254          1HD2      LEU 254  54.248   0.140  12.242
   42   2HD2  LEU 254          2HD2      LEU 254  55.184   1.493  12.879
   43   3HD2  LEU 254          3HD2      LEU 254  55.884   0.435  11.654
   44    H    LEU 255           H        LEU 255  56.188   3.759   8.727
   45    HA   LEU 255           HA       LEU 255  53.905   5.545   8.548
   46   1HB   LEU 255          1HB       LEU 255  56.834   6.278   8.721
   47   2HB   LEU 255          2HB       LEU 255  55.447   7.278   9.151
   48    HG   LEU 255           HG       LEU 255  56.233   4.692  10.533
   49   1HD1  LEU 255          1HD1      LEU 255  56.757   7.594  11.096
   50   2HD1  LEU 255          2HD1      LEU 255  57.832   6.208  11.285
   51   3HD1  LEU 255          3HD1      LEU 255  56.534   6.484  12.448
   52   1HD2  LEU 255          1HD2      LEU 255  54.541   5.706  12.238
   53   2HD2  LEU 255          2HD2      LEU 255  53.899   4.911  10.801
   54   3HD2  LEU 255          3HD2      LEU 255  53.979   6.670  10.872
   55    H    HIS 256           H        HIS 256  56.726   4.628   6.656
   56    HA   HIS 256           HA       HIS 256  56.003   6.477   4.503
   57   1HB   HIS 256          1HB       HIS 256  58.382   4.694   5.017
   58   2HB   HIS 256          2HB       HIS 256  58.139   5.528   3.478
   59    HD2  HIS 256           HD2      HIS 256  57.117   7.428   6.717
   60    HE1  HIS 256           HE1      HIS 256  60.690   9.176   5.299
   61    HE2  HIS 256           HE2      HIS 256  58.807   9.406   6.988
   62    H    ILE 257           H        ILE 257  55.925   3.074   5.300
   63    HA   ILE 257           HA       ILE 257  55.300   2.341   2.545
   64    HB   ILE 257           HB       ILE 257  55.958   0.834   5.042
   65   1HG1  ILE 257          1HG1      ILE 257  57.573  -0.223   3.566
   66   2HG1  ILE 257          2HG1      ILE 257  56.825   0.519   2.151
   67   1HG2  ILE 257          1HG2      ILE 257  54.346  -0.185   2.698
   68   2HG2  ILE 257          2HG2      ILE 257  54.043  -0.415   4.421
   69   3HG2  ILE 257          3HG2      ILE 257  55.376  -1.263   3.639
   70   1HD1  ILE 257          1HD1      ILE 257  57.833   2.252   4.390
   71   2HD1  ILE 257          2HD1      ILE 257  57.619   2.655   2.688
   72   3HD1  ILE 257          3HD1      ILE 257  58.960   1.625   3.189
   73    H    LEU 258           H        LEU 258  53.779   1.587   5.700
   74    HA   LEU 258           HA       LEU 258  51.340   0.718   4.758
   75   1HB   LEU 258          1HB       LEU 258  52.358   1.158   7.234
   76   2HB   LEU 258          2HB       LEU 258  51.157   2.444   7.146
   77    HG   LEU 258           HG       LEU 258  49.556   0.597   6.269
   78   1HD1  LEU 258          1HD1      LEU 258  50.189  -1.588   6.395
   79   2HD1  LEU 258          2HD1      LEU 258  51.089  -1.339   7.890
   80   3HD1  LEU 258          3HD1      LEU 258  51.826  -0.937   6.340
   81   1HD2  LEU 258          1HD2      LEU 258  49.067   1.505   8.385
   82   2HD2  LEU 258          2HD2      LEU 258  50.568   0.908   9.091
   83   3HD2  LEU 258          3HD2      LEU 258  49.257  -0.214   8.728
   84    H    VAL 259           H        VAL 259  52.616   3.794   4.288
   85    HA   VAL 259           HA       VAL 259  50.656   5.648   4.534
   86    HB   VAL 259           HB       VAL 259  52.345   5.220   2.057
   87   1HG1  VAL 259          1HG1      VAL 259  50.400   7.275   2.870
   88   2HG1  VAL 259          2HG1      VAL 259  51.068   6.925   1.275
   89   3HG1  VAL 259          3HG1      VAL 259  51.972   7.928   2.409
   90   1HG2  VAL 259          1HG2      VAL 259  54.011   6.512   3.125
   91   2HG2  VAL 259          2HG2      VAL 259  53.448   5.423   4.393
   92   3HG2  VAL 259          3HG2      VAL 259  52.891   7.095   4.357
   93    H    PHE 260           H        PHE 260  50.545   2.827   2.536
   94    HA   PHE 260           HA       PHE 260  48.573   3.648   0.678
   95   1HB   PHE 260          1HB       PHE 260  48.808   1.554  -0.117
   96   2HB   PHE 260          2HB       PHE 260  50.070   1.358   1.100
   97    HD1  PHE 260           HD1      PHE 260  46.727   0.408   0.067
   98    HD2  PHE 260           HD2      PHE 260  49.461   0.451   3.380
   99    HE1  PHE 260           HE1      PHE 260  45.345  -1.292   1.230
  100    HE2  PHE 260           HE2      PHE 260  48.080  -1.249   4.542
  101    HZ   PHE 260           HZ       PHE 260  46.022  -2.120   3.467
  102    H    GLY 261           H        GLY 261  48.411   3.077   4.018
  103   1HA   GLY 261          1HA       GLY 261  45.498   2.587   3.922
  104   2HA   GLY 261          2HA       GLY 261  46.539   2.245   5.301
  105    H    GLU 262           H        GLU 262  47.452   5.146   3.920
  106    HA   GLU 262           HA       GLU 262  46.210   6.641   6.100
  107   1HB   GLU 262          1HB       GLU 262  48.393   7.246   4.112
  108   2HB   GLU 262          2HB       GLU 262  47.683   8.510   5.118
  109   1HG   GLU 262          1HG       GLU 262  48.247   7.214   7.143
  110   2HG   GLU 262          2HG       GLU 262  48.967   5.958   6.137
  111    H    SER 263           H        SER 263  46.903   7.803   2.831
  112    HA   SER 263           HA       SER 263  44.270   9.071   2.758
  113   1HB   SER 263          1HB       SER 263  46.220   9.332   0.519
  114   2HB   SER 263          2HB       SER 263  45.147  10.538   1.222
  115    HG   SER 263           HG       SER 263  47.174  11.033   1.925
  116    H    LEU 264           H        LEU 264  46.200   6.738   0.912
  117    HA   LEU 264           HA       LEU 264  44.630   6.288  -1.285
  118   1HB   LEU 264          1HB       LEU 264  46.487   4.660   0.319
  119   2HB   LEU 264          2HB       LEU 264  45.325   3.728  -0.627
  120    HG   LEU 264           HG       LEU 264  45.975   4.941  -2.659
  121   1HD1  LEU 264          1HD1      LEU 264  46.683   7.067  -2.194
  122   2HD1  LEU 264          2HD1      LEU 264  48.270   6.297  -2.166
  123   3HD1  LEU 264          3HD1      LEU 264  47.409   6.597  -0.657
  124   1HD2  LEU 264          1HD2      LEU 264  48.663   4.277  -1.647
  125   2HD2  LEU 264          2HD2      LEU 264  47.768   3.581  -2.998
  126   3HD2  LEU 264          3HD2      LEU 264  47.456   3.025  -1.354
  127    H    LEU 265           H        LEU 265  43.874   5.600   2.020
  128    HA   LEU 265           HA       LEU 265  41.665   3.821   1.339
  129   1HB   LEU 265          1HB       LEU 265  43.171   4.517   3.752
  130   2HB   LEU 265          2HB       LEU 265  41.433   4.438   4.031
  131    HG   LEU 265           HG       LEU 265  42.602   2.242   4.365
  132   1HD1  LEU 265          1HD1      LEU 265  41.013   1.412   2.134
  133   2HD1  LEU 265          2HD1      LEU 265  40.227   2.800   2.884
  134   3HD1  LEU 265          3HD1      LEU 265  40.597   1.371   3.847
  135   1HD2  LEU 265          1HD2      LEU 265  43.914   1.302   2.762
  136   2HD2  LEU 265          2HD2      LEU 265  43.996   2.938   2.106
  137   3HD2  LEU 265          3HD2      LEU 265  42.827   1.785   1.459
  138    H    ASN 266           H        ASN 266  42.250   7.159   2.080
  139    HA   ASN 266           HA       ASN 266  39.507   7.780   2.735
  140   1HB   ASN 266          1HB       ASN 266  41.997   9.393   2.266
  141   2HB   ASN 266          2HB       ASN 266  40.424  10.184   2.354
  142   1HD2  ASN 266          1HD2      ASN 266  42.638   8.068   4.217
  143   2HD2  ASN 266          2HD2      ASN 266  42.011   8.494   5.736
  144    H    ASP 267           H        ASP 267  41.586   8.995   0.099
  145    HA   ASP 267           HA       ASP 267  39.641  10.033  -1.538
  146   1HB   ASP 267          1HB       ASP 267  42.331   8.857  -2.017
  147   2HB   ASP 267          2HB       ASP 267  41.300   9.118  -3.423
  148    H    ALA 268           H        ALA 268  40.201   6.731  -0.781
  149    HA   ALA 268           HA       ALA 268  38.760   5.723  -3.108
  150   1HB   ALA 268          1HB       ALA 268  39.113   3.501  -1.955
  151   2HB   ALA 268          2HB       ALA 268  40.013   4.372  -0.713
  152   3HB   ALA 268          3HB       ALA 268  40.592   4.363  -2.378
  153    H    VAL 269           H        VAL 269  38.273   6.234   0.343
  154    HA   VAL 269           HA       VAL 269  35.611   5.035   0.250
  155    HB   VAL 269           HB       VAL 269  37.317   6.199   2.445
  156   1HG1  VAL 269          1HG1      VAL 269  34.364   5.676   2.374
  157   2HG1  VAL 269          2HG1      VAL 269  35.248   6.966   3.186
  158   3HG1  VAL 269          3HG1      VAL 269  35.256   5.335   3.856
  159   1HG2  VAL 269          1HG2      VAL 269  35.957   3.545   2.543
  160   2HG2  VAL 269          2HG2      VAL 269  37.555   4.010   3.128
  161   3HG2  VAL 269          3HG2      VAL 269  37.296   3.720   1.408
  162    H    THR 270           H        THR 270  37.108   8.213   0.784
  163    HA   THR 270           HA       THR 270  34.958   9.783   1.392
  164    HB   THR 270           HB       THR 270  36.832  10.747  -0.736
  165    HG1  THR 270           HG1      THR 270  37.830  10.917   1.780
  166   1HG2  THR 270          1HG2      THR 270  36.671  12.798   0.450
  167   2HG2  THR 270          2HG2      THR 270  36.049  12.003   1.896
  168   3HG2  THR 270          3HG2      THR 270  35.036  12.139   0.460
  169    H    VAL 271           H        VAL 271  35.673   8.249  -1.666
  170    HA   VAL 271           HA       VAL 271  34.122   9.668  -3.451
  171    HB   VAL 271           HB       VAL 271  34.313   6.651  -3.298
  172   1HG1  VAL 271          1HG1      VAL 271  32.642   7.405  -4.899
  173   2HG1  VAL 271          2HG1      VAL 271  34.070   6.868  -5.784
  174   3HG1  VAL 271          3HG1      VAL 271  33.765   8.591  -5.564
  175   1HG2  VAL 271          1HG2      VAL 271  36.502   6.869  -3.779
  176   2HG2  VAL 271          2HG2      VAL 271  36.355   8.619  -3.613
  177   3HG2  VAL 271          3HG2      VAL 271  36.104   7.857  -5.185
  178    H    VAL 272           H        VAL 272  33.108   7.532  -0.878
  179    HA   VAL 272           HA       VAL 272  30.338   7.488  -1.767
  180    HB   VAL 272           HB       VAL 272  31.672   5.616  -0.506
  181   1HG1  VAL 272          1HG1      VAL 272  32.146   7.359   1.372
  182   2HG1  VAL 272          2HG1      VAL 272  31.674   5.727   1.845
  183   3HG1  VAL 272          3HG1      VAL 272  30.489   7.032   1.878
  184   1HG2  VAL 272          1HG2      VAL 272  29.533   4.828   0.479
  185   2HG2  VAL 272          2HG2      VAL 272  29.303   5.467  -1.149
  186   3HG2  VAL 272          3HG2      VAL 272  28.849   6.437   0.252
  187    H    LEU 273           H        LEU 273  32.153   9.817  -0.460
  188    HA   LEU 273           HA       LEU 273  30.436  10.665   1.708
  189   1HB   LEU 273          1HB       LEU 273  32.942  11.063   1.570
  190   2HB   LEU 273          2HB       LEU 273  32.589  12.285   0.350
  191    HG   LEU 273           HG       LEU 273  30.818  13.018   2.267
  192   1HD1  LEU 273          1HD1      LEU 273  31.686  12.716   4.450
  193   2HD1  LEU 273          2HD1      LEU 273  33.252  12.178   3.842
  194   3HD1  LEU 273          3HD1      LEU 273  31.842  11.128   3.698
  195   1HD2  LEU 273          1HD2      LEU 273  32.775  14.568   3.054
  196   2HD2  LEU 273          2HD2      LEU 273  32.239  14.664   1.376
  197   3HD2  LEU 273          3HD2      LEU 273  33.698  13.763   1.785
  198    H    TYR 274           H        TYR 274  31.512  12.613  -1.069
  199    HA   TYR 274           HA       TYR 274  29.135  14.198  -1.021
  200   1HB   TYR 274          1HB       TYR 274  30.277  14.759  -3.432
  201   2HB   TYR 274          2HB       TYR 274  30.758  15.504  -1.907
  202    HD1  TYR 274           HD1      TYR 274  31.530  12.773  -4.301
  203    HD2  TYR 274           HD2      TYR 274  32.852  14.986  -0.865
  204    HE1  TYR 274           HE1      TYR 274  33.774  11.739  -4.498
  205    HE2  TYR 274           HE2      TYR 274  35.096  13.950  -1.060
  206    HH   TYR 274           HH       TYR 274  36.386  12.563  -2.207
  207    H    LYS 275           H        LYS 275  30.050  11.284  -2.655
  208    HA   LYS 275           HA       LYS 275  28.666  11.222  -4.985
  209   1HB   LYS 275          1HB       LYS 275  29.337   9.233  -2.942
  210   2HB   LYS 275          2HB       LYS 275  27.929   8.798  -3.909
  211   1HG   LYS 275          1HG       LYS 275  30.502   9.773  -5.165
  212   2HG   LYS 275          2HG       LYS 275  30.208   8.066  -4.834
  213   1HD   LYS 275          1HD       LYS 275  28.811   7.865  -6.599
  214   2HD   LYS 275          2HD       LYS 275  27.945   9.342  -6.178
  215   1HE   LYS 275          1HE       LYS 275  29.680  10.704  -7.222
  216   2HE   LYS 275          2HE       LYS 275  30.640   9.265  -7.564
  217   1HZ   LYS 275          1HZ       LYS 275  27.885   9.308  -8.528
  218   2HZ   LYS 275          2HZ       LYS 275  29.272   8.627  -9.233
  219   3HZ   LYS 275          3HZ       LYS 275  29.001  10.301  -9.331
  220    H    LYS 276           H        LYS 276  27.308  11.363  -1.773
  221    HA   LYS 276           HA       LYS 276  24.597  11.472  -2.957
  222   1HB   LYS 276          1HB       LYS 276  24.399  10.736  -0.228
  223   2HB   LYS 276          2HB       LYS 276  23.986   9.766  -1.643
  224   1HG   LYS 276          1HG       LYS 276  26.325   8.997  -1.807
  225   2HG   LYS 276          2HG       LYS 276  26.746   9.970  -0.397
  226   1HD   LYS 276          1HD       LYS 276  26.304   8.060   0.759
  227   2HD   LYS 276          2HD       LYS 276  24.621   8.551   0.570
  228   1HE   LYS 276          1HE       LYS 276  24.497   7.235  -1.535
  229   2HE   LYS 276          2HE       LYS 276  26.156   6.698  -1.275
  230   1HZ   LYS 276          1HZ       LYS 276  25.487   5.684   0.796
  231   2HZ   LYS 276          2HZ       LYS 276  24.528   5.085  -0.474
  232   3HZ   LYS 276          3HZ       LYS 276  23.897   6.243   0.598
  233   1HN   NH2 277          1HN       NH2 277  26.333  12.364   0.087
  234   2HN   NH2 277          2HN       NH2 277  25.591  13.897   0.216
  Start of MODEL   23
    1   1H    HIS 250          1H        HIS 250  51.387  -9.588  -6.671
    2   2H    HIS 250          2H        HIS 250  50.415  -8.695  -7.741
    3   3H    HIS 250          3H        HIS 250  50.142 -10.358  -7.529
    4    HA   HIS 250           HA       HIS 250  48.896  -8.305  -6.198
    5   1HB   HIS 250          1HB       HIS 250  48.005 -10.567  -6.663
    6   2HB   HIS 250          2HB       HIS 250  49.119 -11.243  -5.475
    7    HD2  HIS 250           HD2      HIS 250  47.036  -7.950  -4.787
    8    HE1  HIS 250           HE1      HIS 250  45.765 -10.941  -2.093
    9    HE2  HIS 250           HE2      HIS 250  45.533  -8.492  -2.721
   10    H    ILE 251           H        ILE 251  51.800  -8.185  -5.721
   11    HA   ILE 251           HA       ILE 251  51.956  -8.641  -2.816
   12    HB   ILE 251           HB       ILE 251  54.201  -7.800  -4.651
   13   1HG1  ILE 251          1HG1      ILE 251  54.523 -10.501  -4.068
   14   2HG1  ILE 251          2HG1      ILE 251  52.802 -10.361  -4.430
   15   1HG2  ILE 251          1HG2      ILE 251  54.602  -9.502  -2.257
   16   2HG2  ILE 251          2HG2      ILE 251  54.082  -7.848  -1.936
   17   3HG2  ILE 251          3HG2      ILE 251  55.562  -8.146  -2.848
   18   1HD1  ILE 251          1HD1      ILE 251  53.349  -9.199  -6.546
   19   2HD1  ILE 251          2HD1      ILE 251  54.080 -10.803  -6.486
   20   3HD1  ILE 251          3HD1      ILE 251  55.068  -9.372  -6.187
   21    H    ASN 252           H        ASN 252  53.028  -6.140  -5.135
   22    HA   ASN 252           HA       ASN 252  53.509  -4.067  -3.411
   23   1HB   ASN 252          1HB       ASN 252  52.097  -3.792  -6.072
   24   2HB   ASN 252          2HB       ASN 252  53.047  -2.555  -5.250
   25   1HD2  ASN 252          1HD2      ASN 252  53.285  -4.710  -7.743
   26   2HD2  ASN 252          2HD2      ASN 252  54.954  -5.014  -7.702
   27    H    GLU 253           H        GLU 253  50.366  -5.128  -4.653
   28    HA   GLU 253           HA       GLU 253  48.720  -3.094  -3.793
   29   1HB   GLU 253          1HB       GLU 253  48.104  -6.047  -3.529
   30   2HB   GLU 253          2HB       GLU 253  46.937  -4.732  -3.678
   31   1HG   GLU 253          1HG       GLU 253  48.993  -5.507  -5.769
   32   2HG   GLU 253          2HG       GLU 253  47.269  -5.866  -5.844
   33    H    LEU 254           H        LEU 254  49.984  -5.818  -1.899
   34    HA   LEU 254           HA       LEU 254  48.842  -4.669   0.546
   35   1HB   LEU 254          1HB       LEU 254  50.465  -7.197   0.423
   36   2HB   LEU 254          2HB       LEU 254  49.189  -6.751   1.556
   37    HG   LEU 254           HG       LEU 254  48.839  -7.420  -1.380
   38   1HD1  LEU 254          1HD1      LEU 254  47.553  -8.790   0.975
   39   2HD1  LEU 254          2HD1      LEU 254  49.174  -9.247   0.448
   40   3HD1  LEU 254          3HD1      LEU 254  47.809  -9.406  -0.658
   41   1HD2  LEU 254          1HD2      LEU 254  47.201  -5.789  -1.024
   42   2HD2  LEU 254          2HD2      LEU 254  47.016  -6.206   0.680
   43   3HD2  LEU 254          3HD2      LEU 254  46.341  -7.259  -0.564
   44    H    LEU 255           H        LEU 255  51.691  -4.549  -1.242
   45    HA   LEU 255           HA       LEU 255  53.388  -4.109   1.117
   46   1HB   LEU 255          1HB       LEU 255  53.846  -5.262  -1.420
   47   2HB   LEU 255          2HB       LEU 255  54.774  -3.763  -1.377
   48    HG   LEU 255           HG       LEU 255  54.841  -5.914   0.760
   49   1HD1  LEU 255          1HD1      LEU 255  56.092  -6.897  -0.910
   50   2HD1  LEU 255          2HD1      LEU 255  57.336  -5.862  -0.209
   51   3HD1  LEU 255          3HD1      LEU 255  56.486  -5.354  -1.668
   52   1HD2  LEU 255          1HD2      LEU 255  55.768  -4.309   2.043
   53   2HD2  LEU 255          2HD2      LEU 255  55.629  -3.142   0.728
   54   3HD2  LEU 255          3HD2      LEU 255  57.067  -4.155   0.860
   55    H    HIS 256           H        HIS 256  53.213  -2.546  -2.080
   56    HA   HIS 256           HA       HIS 256  54.122  -0.039  -1.084
   57   1HB   HIS 256          1HB       HIS 256  52.821  -0.810  -3.700
   58   2HB   HIS 256          2HB       HIS 256  53.505   0.782  -3.365
   59    HD2  HIS 256           HD2      HIS 256  55.816  -1.601  -1.655
   60    HE1  HIS 256           HE1      HIS 256  57.333  -1.334  -5.585
   61    HE2  HIS 256           HE2      HIS 256  57.842  -2.112  -3.222
   62    H    ILE 257           H        ILE 257  51.076  -0.539  -2.839
   63    HA   ILE 257           HA       ILE 257  49.701   1.670  -2.183
   64    HB   ILE 257           HB       ILE 257  48.776  -1.169  -2.452
   65   1HG1  ILE 257          1HG1      ILE 257  48.109   1.321  -4.044
   66   2HG1  ILE 257          2HG1      ILE 257  49.509   0.308  -4.395
   67   1HG2  ILE 257          1HG2      ILE 257  46.422  -0.061  -2.525
   68   2HG2  ILE 257          2HG2      ILE 257  47.169   1.231  -1.585
   69   3HG2  ILE 257          3HG2      ILE 257  47.126  -0.413  -0.948
   70   1HD1  ILE 257          1HD1      ILE 257  48.233  -1.245  -5.421
   71   2HD1  ILE 257          2HD1      ILE 257  46.911  -0.081  -5.349
   72   3HD1  ILE 257          3HD1      ILE 257  47.092  -1.287  -4.076
   73    H    LEU 258           H        LEU 258  50.371  -0.995   0.004
   74    HA   LEU 258           HA       LEU 258  48.578  -0.175   2.066
   75   1HB   LEU 258          1HB       LEU 258  50.388  -2.315   1.620
   76   2HB   LEU 258          2HB       LEU 258  50.843  -1.558   3.147
   77    HG   LEU 258           HG       LEU 258  48.041  -2.454   2.411
   78   1HD1  LEU 258          1HD1      LEU 258  49.058  -4.472   2.873
   79   2HD1  LEU 258          2HD1      LEU 258  48.684  -3.968   4.521
   80   3HD1  LEU 258          3HD1      LEU 258  50.308  -3.733   3.874
   81   1HD2  LEU 258          1HD2      LEU 258  48.386  -2.083   5.199
   82   2HD2  LEU 258          2HD2      LEU 258  47.401  -1.110   4.107
   83   3HD2  LEU 258          3HD2      LEU 258  49.077  -0.658   4.422
   84    H    VAL 259           H        VAL 259  52.068   0.294   1.545
   85    HA   VAL 259           HA       VAL 259  52.826   1.593   3.819
   86    HB   VAL 259           HB       VAL 259  53.560   2.289   0.968
   87   1HG1  VAL 259          1HG1      VAL 259  54.457   4.131   1.972
   88   2HG1  VAL 259          2HG1      VAL 259  55.701   2.997   2.497
   89   3HG1  VAL 259          3HG1      VAL 259  54.375   3.417   3.582
   90   1HG2  VAL 259          1HG2      VAL 259  54.936   0.496   1.061
   91   2HG2  VAL 259          2HG2      VAL 259  54.060   0.009   2.512
   92   3HG2  VAL 259          3HG2      VAL 259  55.538   0.963   2.652
   93    H    PHE 260           H        PHE 260  52.197   3.624   0.987
   94    HA   PHE 260           HA       PHE 260  51.385   5.826   2.643
   95   1HB   PHE 260          1HB       PHE 260  50.807   6.823   0.327
   96   2HB   PHE 260          2HB       PHE 260  52.499   6.474   0.681
   97    HD1  PHE 260           HD1      PHE 260  49.578   5.555  -1.318
   98    HD2  PHE 260           HD2      PHE 260  53.592   4.452  -0.259
   99    HE1  PHE 260           HE1      PHE 260  49.669   4.020  -3.263
  100    HE2  PHE 260           HE2      PHE 260  53.683   2.917  -2.204
  101    HZ   PHE 260           HZ       PHE 260  51.722   2.700  -3.706
  102    H    GLY 261           H        GLY 261  49.795   3.087   1.727
  103   1HA   GLY 261          1HA       GLY 261  47.333   3.657   0.741
  104   2HA   GLY 261          2HA       GLY 261  47.572   2.500   2.048
  105    H    GLU 262           H        GLU 262  48.640   4.765   3.752
  106    HA   GLU 262           HA       GLU 262  46.295   5.341   5.180
  107   1HB   GLU 262          1HB       GLU 262  49.090   6.392   5.190
  108   2HB   GLU 262          2HB       GLU 262  47.853   7.302   6.058
  109   1HG   GLU 262          1HG       GLU 262  48.000   4.335   6.449
  110   2HG   GLU 262          2HG       GLU 262  49.177   5.358   7.269
  111    H    SER 263           H        SER 263  47.654   6.811   2.373
  112    HA   SER 263           HA       SER 263  46.133   9.283   2.687
  113   1HB   SER 263          1HB       SER 263  48.473   8.536   1.284
  114   2HB   SER 263          2HB       SER 263  47.273   8.964   0.069
  115    HG   SER 263           HG       SER 263  48.698  10.627   1.378
  116    H    LEU 264           H        LEU 264  46.088   6.312   0.791
  117    HA   LEU 264           HA       LEU 264  43.893   7.172  -0.879
  118   1HB   LEU 264          1HB       LEU 264  44.827   4.331  -0.480
  119   2HB   LEU 264          2HB       LEU 264  44.038   5.034  -1.893
  120    HG   LEU 264           HG       LEU 264  46.833   5.631  -0.885
  121   1HD1  LEU 264          1HD1      LEU 264  46.652   3.558  -2.169
  122   2HD1  LEU 264          2HD1      LEU 264  47.454   4.787  -3.149
  123   3HD1  LEU 264          3HD1      LEU 264  45.758   4.395  -3.438
  124   1HD2  LEU 264          1HD2      LEU 264  46.077   7.723  -1.662
  125   2HD2  LEU 264          2HD2      LEU 264  45.070   6.996  -2.915
  126   3HD2  LEU 264          3HD2      LEU 264  46.825   7.017  -3.095
  127    H    LEU 265           H        LEU 265  44.306   5.412   2.114
  128    HA   LEU 265           HA       LEU 265  41.922   4.042   2.346
  129   1HB   LEU 265          1HB       LEU 265  43.987   4.936   4.109
  130   2HB   LEU 265          2HB       LEU 265  42.436   5.307   4.856
  131    HG   LEU 265           HG       LEU 265  43.197   3.052   5.486
  132   1HD1  LEU 265          1HD1      LEU 265  40.689   3.759   4.519
  133   2HD1  LEU 265          2HD1      LEU 265  41.064   2.314   5.458
  134   3HD1  LEU 265          3HD1      LEU 265  41.035   2.238   3.697
  135   1HD2  LEU 265          1HD2      LEU 265  44.084   2.946   2.833
  136   2HD2  LEU 265          2HD2      LEU 265  42.750   1.794   2.897
  137   3HD2  LEU 265          3HD2      LEU 265  44.117   1.623   3.999
  138    H    ASN 266           H        ASN 266  42.502   7.477   2.494
  139    HA   ASN 266           HA       ASN 266  39.812   8.043   3.476
  140   1HB   ASN 266          1HB       ASN 266  42.230   9.705   2.838
  141   2HB   ASN 266          2HB       ASN 266  40.648  10.463   3.013
  142   1HD2  ASN 266          1HD2      ASN 266  41.985   7.663   4.831
  143   2HD2  ASN 266          2HD2      ASN 266  41.877   8.413   6.350
  144    H    ASP 267           H        ASP 267  41.751   8.660   0.550
  145    HA   ASP 267           HA       ASP 267  39.524   9.738  -0.911
  146   1HB   ASP 267          1HB       ASP 267  42.302   9.684  -1.229
  147   2HB   ASP 267          2HB       ASP 267  41.674   8.741  -2.579
  148    H    ALA 268           H        ALA 268  40.242   6.658   0.059
  149    HA   ALA 268           HA       ALA 268  39.368   5.294  -2.363
  150   1HB   ALA 268          1HB       ALA 268  41.059   4.140  -1.149
  151   2HB   ALA 268          2HB       ALA 268  39.565   3.253  -0.851
  152   3HB   ALA 268          3HB       ALA 268  40.203   4.345   0.379
  153    H    VAL 269           H        VAL 269  38.125   6.180   0.806
  154    HA   VAL 269           HA       VAL 269  35.634   4.726   0.376
  155    HB   VAL 269           HB       VAL 269  36.899   5.110   2.637
  156   1HG1  VAL 269          1HG1      VAL 269  36.770   7.669   2.155
  157   2HG1  VAL 269          2HG1      VAL 269  36.430   7.104   3.791
  158   3HG1  VAL 269          3HG1      VAL 269  35.102   7.527   2.710
  159   1HG2  VAL 269          1HG2      VAL 269  34.650   5.136   3.808
  160   2HG2  VAL 269          2HG2      VAL 269  34.800   3.923   2.536
  161   3HG2  VAL 269          3HG2      VAL 269  33.911   5.415   2.232
  162    H    THR 270           H        THR 270  36.932   7.777  -0.347
  163    HA   THR 270           HA       THR 270  34.350   9.148  -0.340
  164    HB   THR 270           HB       THR 270  37.191   9.988  -0.842
  165    HG1  THR 270           HG1      THR 270  35.111  11.006   0.793
  166   1HG2  THR 270          1HG2      THR 270  34.654  11.336  -1.728
  167   2HG2  THR 270          2HG2      THR 270  36.179  11.166  -2.595
  168   3HG2  THR 270          3HG2      THR 270  36.050  12.302  -1.253
  169    H    VAL 271           H        VAL 271  36.945   8.936  -2.778
  170    HA   VAL 271           HA       VAL 271  35.539   9.593  -5.019
  171    HB   VAL 271           HB       VAL 271  37.689   7.491  -4.704
  172   1HG1  VAL 271          1HG1      VAL 271  36.230   8.526  -7.114
  173   2HG1  VAL 271          2HG1      VAL 271  36.791   6.891  -6.768
  174   3HG1  VAL 271          3HG1      VAL 271  37.944   8.134  -7.253
  175   1HG2  VAL 271          1HG2      VAL 271  38.207  10.028  -6.110
  176   2HG2  VAL 271          2HG2      VAL 271  39.161   9.217  -4.869
  177   3HG2  VAL 271          3HG2      VAL 271  37.792  10.227  -4.408
  178    H    VAL 272           H        VAL 272  35.209   6.713  -3.129
  179    HA   VAL 272           HA       VAL 272  33.697   5.329  -5.213
  180    HB   VAL 272           HB       VAL 272  35.357   4.254  -3.508
  181   1HG1  VAL 272          1HG1      VAL 272  33.984   5.358  -1.594
  182   2HG1  VAL 272          2HG1      VAL 272  34.498   3.683  -1.391
  183   3HG1  VAL 272          3HG1      VAL 272  32.839   4.044  -1.866
  184   1HG2  VAL 272          1HG2      VAL 272  33.931   2.179  -3.505
  185   2HG2  VAL 272          2HG2      VAL 272  34.065   2.942  -5.089
  186   3HG2  VAL 272          3HG2      VAL 272  32.600   3.152  -4.129
  187    H    LEU 273           H        LEU 273  33.182   7.161  -2.285
  188    HA   LEU 273           HA       LEU 273  30.353   6.417  -2.193
  189   1HB   LEU 273          1HB       LEU 273  31.710   6.600  -0.092
  190   2HB   LEU 273          2HB       LEU 273  31.881   8.323  -0.407
  191    HG   LEU 273           HG       LEU 273  29.392   8.539  -0.407
  192   1HD1  LEU 273          1HD1      LEU 273  28.353   6.428   0.876
  193   2HD1  LEU 273          2HD1      LEU 273  29.627   5.588  -0.006
  194   3HD1  LEU 273          3HD1      LEU 273  28.409   6.510  -0.885
  195   1HD2  LEU 273          1HD2      LEU 273  30.596   9.043   1.637
  196   2HD2  LEU 273          2HD2      LEU 273  30.689   7.332   2.053
  197   3HD2  LEU 273          3HD2      LEU 273  29.132   8.158   2.065
  198    H    TYR 274           H        TYR 274  32.429   9.125  -3.020
  199    HA   TYR 274           HA       TYR 274  30.212  10.965  -3.346
  200   1HB   TYR 274          1HB       TYR 274  33.180  11.096  -3.699
  201   2HB   TYR 274          2HB       TYR 274  32.168  12.318  -4.469
  202    HD1  TYR 274           HD1      TYR 274  31.887  14.271  -3.227
  203    HD2  TYR 274           HD2      TYR 274  32.251  10.516  -1.171
  204    HE1  TYR 274           HE1      TYR 274  31.660  15.440  -1.053
  205    HE2  TYR 274           HE2      TYR 274  32.023  11.686   1.005
  206    HH   TYR 274           HH       TYR 274  31.719  15.235   1.158
  207    H    LYS 275           H        LYS 275  32.779  10.467  -5.711
  208    HA   LYS 275           HA       LYS 275  31.189  10.943  -7.953
  209   1HB   LYS 275          1HB       LYS 275  33.654   9.190  -7.851
  210   2HB   LYS 275          2HB       LYS 275  33.021  10.034  -9.262
  211   1HG   LYS 275          1HG       LYS 275  33.934  11.432  -6.727
  212   2HG   LYS 275          2HG       LYS 275  34.959  11.205  -8.140
  213   1HD   LYS 275          1HD       LYS 275  34.123  13.158  -8.903
  214   2HD   LYS 275          2HD       LYS 275  32.616  12.295  -9.198
  215   1HE   LYS 275          1HE       LYS 275  32.016  12.783  -6.763
  216   2HE   LYS 275          2HE       LYS 275  33.387  13.892  -6.748
  217   1HZ   LYS 275          1HZ       LYS 275  32.411  15.236  -8.359
  218   2HZ   LYS 275          2HZ       LYS 275  31.116  14.834  -7.337
  219   3HZ   LYS 275          3HZ       LYS 275  31.297  14.047  -8.831
  220    H    LYS 276           H        LYS 276  32.397   7.774  -6.831
  221    HA   LYS 276           HA       LYS 276  30.033   6.365  -6.952
  222   1HB   LYS 276          1HB       LYS 276  29.526   6.509  -9.162
  223   2HB   LYS 276          2HB       LYS 276  31.169   6.937  -9.614
  224   1HG   LYS 276          1HG       LYS 276  30.515   4.777 -10.590
  225   2HG   LYS 276          2HG       LYS 276  31.841   4.555  -9.463
  226   1HD   LYS 276          1HD       LYS 276  29.626   4.236  -7.828
  227   2HD   LYS 276          2HD       LYS 276  29.072   3.553  -9.351
  228   1HE   LYS 276          1HE       LYS 276  31.641   2.791  -7.936
  229   2HE   LYS 276          2HE       LYS 276  30.159   1.839  -7.943
  230   1HZ   LYS 276          1HZ       LYS 276  30.553   2.302 -10.561
  231   2HZ   LYS 276          2HZ       LYS 276  31.046   0.895  -9.745
  232   3HZ   LYS 276          3HZ       LYS 276  32.150   2.162 -10.004
  233   1HN   NH2 277          1HN       NH2 277  33.402   5.950  -8.186
  234   2HN   NH2 277          2HN       NH2 277  33.714   4.556  -7.250
  Start of MODEL   24
    1   1H    HIS 250          1H        HIS 250  64.346  13.653  -2.390
    2   2H    HIS 250          2H        HIS 250  62.743  13.407  -2.898
    3   3H    HIS 250          3H        HIS 250  64.034  13.061  -3.948
    4    HA   HIS 250           HA       HIS 250  62.772  11.336  -2.168
    5   1HB   HIS 250          1HB       HIS 250  63.885  10.987  -4.474
    6   2HB   HIS 250          2HB       HIS 250  65.395  10.835  -3.575
    7    HD2  HIS 250           HD2      HIS 250  61.835   9.195  -2.791
    8    HE1  HIS 250           HE1      HIS 250  64.809   6.199  -2.726
    9    HE2  HIS 250           HE2      HIS 250  62.335   6.664  -2.387
   10    H    ILE 251           H        ILE 251  63.201  12.366  -0.070
   11    HA   ILE 251           HA       ILE 251  65.938  11.983   0.944
   12    HB   ILE 251           HB       ILE 251  63.649  13.277   2.422
   13   1HG1  ILE 251          1HG1      ILE 251  65.170  15.346   1.443
   14   2HG1  ILE 251          2HG1      ILE 251  65.161  14.232   0.074
   15   1HG2  ILE 251          1HG2      ILE 251  65.241  13.872   3.931
   16   2HG2  ILE 251          2HG2      ILE 251  66.420  14.248   2.675
   17   3HG2  ILE 251          3HG2      ILE 251  66.192  12.580   3.200
   18   1HD1  ILE 251          1HD1      ILE 251  62.691  14.107   0.206
   19   2HD1  ILE 251          2HD1      ILE 251  63.240  15.761  -0.057
   20   3HD1  ILE 251          3HD1      ILE 251  62.712  15.251   1.547
   21    H    ASN 252           H        ASN 252  64.351  12.011   3.655
   22    HA   ASN 252           HA       ASN 252  64.448   9.136   3.992
   23   1HB   ASN 252          1HB       ASN 252  63.483  11.128   6.038
   24   2HB   ASN 252          2HB       ASN 252  64.235   9.556   6.306
   25   1HD2  ASN 252          1HD2      ASN 252  64.875  12.913   6.067
   26   2HD2  ASN 252          2HD2      ASN 252  66.566  12.814   5.967
   27    H    GLU 253           H        GLU 253  62.196  11.134   2.719
   28    HA   GLU 253           HA       GLU 253  59.763  10.680   3.889
   29   1HB   GLU 253          1HB       GLU 253  60.249  10.467   0.913
   30   2HB   GLU 253          2HB       GLU 253  58.762  10.967   1.720
   31   1HG   GLU 253          1HG       GLU 253  60.039  12.889   2.726
   32   2HG   GLU 253          2HG       GLU 253  61.411  12.436   1.716
   33    H    LEU 254           H        LEU 254  61.826   8.380   2.338
   34    HA   LEU 254           HA       LEU 254  60.255   6.351   1.470
   35   1HB   LEU 254          1HB       LEU 254  62.374   5.523   3.390
   36   2HB   LEU 254          2HB       LEU 254  62.047   4.949   1.757
   37    HG   LEU 254           HG       LEU 254  63.369   7.567   2.531
   38   1HD1  LEU 254          1HD1      LEU 254  65.298   6.454   2.233
   39   2HD1  LEU 254          2HD1      LEU 254  64.778   5.921   0.635
   40   3HD1  LEU 254          3HD1      LEU 254  64.374   4.962   2.059
   41   1HD2  LEU 254          1HD2      LEU 254  62.066   6.637   0.023
   42   2HD2  LEU 254          2HD2      LEU 254  63.650   7.389  -0.163
   43   3HD2  LEU 254          3HD2      LEU 254  62.336   8.280   0.605
   44    H    LEU 255           H        LEU 255  60.665   7.377   4.797
   45    HA   LEU 255           HA       LEU 255  59.094   5.131   5.810
   46   1HB   LEU 255          1HB       LEU 255  60.001   7.500   7.430
   47   2HB   LEU 255          2HB       LEU 255  59.707   5.844   7.963
   48    HG   LEU 255           HG       LEU 255  61.968   6.785   6.174
   49   1HD1  LEU 255          1HD1      LEU 255  62.696   5.303   8.549
   50   2HD1  LEU 255          2HD1      LEU 255  61.698   6.690   8.982
   51   3HD1  LEU 255          3HD1      LEU 255  63.185   6.927   8.064
   52   1HD2  LEU 255          1HD2      LEU 255  60.979   4.049   6.973
   53   2HD2  LEU 255          2HD2      LEU 255  62.679   4.313   6.587
   54   3HD2  LEU 255          3HD2      LEU 255  61.440   4.629   5.373
   55    H    HIS 256           H        HIS 256  58.765   8.536   5.075
   56    HA   HIS 256           HA       HIS 256  56.232   8.847   6.417
   57   1HB   HIS 256          1HB       HIS 256  57.444  10.608   4.278
   58   2HB   HIS 256          2HB       HIS 256  56.202  11.051   5.450
   59    HD2  HIS 256           HD2      HIS 256  58.351   9.216   7.719
   60    HE1  HIS 256           HE1      HIS 256  60.384  12.901   7.391
   61    HE2  HIS 256           HE2      HIS 256  60.183  10.766   8.748
   62    H    ILE 257           H        ILE 257  57.326   8.281   3.099
   63    HA   ILE 257           HA       ILE 257  55.090   8.644   1.599
   64    HB   ILE 257           HB       ILE 257  57.103   6.400   1.523
   65   1HG1  ILE 257          1HG1      ILE 257  57.494   8.970   0.959
   66   2HG1  ILE 257          2HG1      ILE 257  58.219   7.707  -0.033
   67   1HG2  ILE 257          1HG2      ILE 257  56.162   6.105  -0.868
   68   2HG2  ILE 257          2HG2      ILE 257  54.724   6.926  -0.257
   69   3HG2  ILE 257          3HG2      ILE 257  55.243   5.403   0.463
   70   1HD1  ILE 257          1HD1      ILE 257  56.969   9.613  -1.254
   71   2HD1  ILE 257          2HD1      ILE 257  55.493   8.834  -0.686
   72   3HD1  ILE 257          3HD1      ILE 257  56.603   7.959  -1.741
   73    H    LEU 258           H        LEU 258  55.571   6.245   4.071
   74    HA   LEU 258           HA       LEU 258  53.791   4.261   3.553
   75   1HB   LEU 258          1HB       LEU 258  54.735   5.602   5.996
   76   2HB   LEU 258          2HB       LEU 258  53.178   4.798   6.179
   77    HG   LEU 258           HG       LEU 258  55.159   3.327   6.687
   78   1HD1  LEU 258          1HD1      LEU 258  52.856   2.767   5.089
   79   2HD1  LEU 258          2HD1      LEU 258  53.738   1.671   6.151
   80   3HD1  LEU 258          3HD1      LEU 258  54.201   1.817   4.457
   81   1HD2  LEU 258          1HD2      LEU 258  56.257   4.475   4.458
   82   2HD2  LEU 258          2HD2      LEU 258  55.705   2.931   3.810
   83   3HD2  LEU 258          3HD2      LEU 258  56.823   2.966   5.174
   84    H    VAL 259           H        VAL 259  53.058   7.605   4.122
   85    HA   VAL 259           HA       VAL 259  50.387   7.501   4.895
   86    HB   VAL 259           HB       VAL 259  51.703   9.586   4.762
   87   1HG1  VAL 259          1HG1      VAL 259  51.230   9.512   1.779
   88   2HG1  VAL 259          2HG1      VAL 259  52.715   8.888   2.494
   89   3HG1  VAL 259          3HG1      VAL 259  52.288  10.588   2.692
   90   1HG2  VAL 259          1HG2      VAL 259  49.124   9.466   4.615
   91   2HG2  VAL 259          2HG2      VAL 259  49.333   9.827   2.902
   92   3HG2  VAL 259          3HG2      VAL 259  49.890  10.975   4.120
   93    H    PHE 260           H        PHE 260  51.855   6.929   1.769
   94    HA   PHE 260           HA       PHE 260  49.660   7.192   0.078
   95   1HB   PHE 260          1HB       PHE 260  50.999   6.240  -1.486
   96   2HB   PHE 260          2HB       PHE 260  52.243   6.392  -0.244
   97    HD1  PHE 260           HD1      PHE 260  49.811   4.082  -1.817
   98    HD2  PHE 260           HD2      PHE 260  53.078   4.470   0.946
   99    HE1  PHE 260           HE1      PHE 260  50.033   1.614  -1.732
  100    HE2  PHE 260           HE2      PHE 260  53.299   2.001   1.029
  101    HZ   PHE 260           HZ       PHE 260  51.777   0.573  -0.309
  102    H    GLY 261           H        GLY 261  50.089   5.049   2.661
  103   1HA   GLY 261          1HA       GLY 261  48.147   3.111   1.579
  104   2HA   GLY 261          2HA       GLY 261  49.193   2.842   2.971
  105    H    GLU 262           H        GLU 262  48.443   5.754   3.737
  106    HA   GLU 262           HA       GLU 262  46.142   4.979   5.359
  107   1HB   GLU 262          1HB       GLU 262  47.883   7.456   5.387
  108   2HB   GLU 262          2HB       GLU 262  46.570   7.135   6.521
  109   1HG   GLU 262          1HG       GLU 262  48.573   4.968   6.190
  110   2HG   GLU 262          2HG       GLU 262  49.134   6.426   7.007
  111    H    SER 263           H        SER 263  47.040   7.744   3.281
  112    HA   SER 263           HA       SER 263  44.446   8.866   3.197
  113   1HB   SER 263          1HB       SER 263  45.401  10.463   1.895
  114   2HB   SER 263          2HB       SER 263  46.906   9.690   2.385
  115    HG   SER 263           HG       SER 263  47.126   8.900   0.438
  116    H    LEU 264           H        LEU 264  46.044   6.407   1.269
  117    HA   LEU 264           HA       LEU 264  44.385   6.308  -0.959
  118   1HB   LEU 264          1HB       LEU 264  46.200   4.456   0.425
  119   2HB   LEU 264          2HB       LEU 264  44.917   3.652  -0.475
  120    HG   LEU 264           HG       LEU 264  47.000   4.079  -1.825
  121   1HD1  LEU 264          1HD1      LEU 264  45.574   4.009  -3.560
  122   2HD1  LEU 264          2HD1      LEU 264  45.265   5.736  -3.379
  123   3HD1  LEU 264          3HD1      LEU 264  44.268   4.566  -2.514
  124   1HD2  LEU 264          1HD2      LEU 264  46.291   6.924  -2.180
  125   2HD2  LEU 264          2HD2      LEU 264  47.880   6.165  -2.068
  126   3HD2  LEU 264          3HD2      LEU 264  46.973   6.532  -0.601
  127    H    LEU 265           H        LEU 265  43.742   5.415   2.323
  128    HA   LEU 265           HA       LEU 265  41.365   3.870   1.632
  129   1HB   LEU 265          1HB       LEU 265  42.174   4.726   4.405
  130   2HB   LEU 265          2HB       LEU 265  41.229   3.317   3.920
  131    HG   LEU 265           HG       LEU 265  44.178   3.777   3.383
  132   1HD1  LEU 265          1HD1      LEU 265  42.785   2.673   5.595
  133   2HD1  LEU 265          2HD1      LEU 265  44.522   2.636   5.292
  134   3HD1  LEU 265          3HD1      LEU 265  43.499   1.319   4.718
  135   1HD2  LEU 265          1HD2      LEU 265  43.495   2.577   1.500
  136   2HD2  LEU 265          2HD2      LEU 265  42.188   1.770   2.366
  137   3HD2  LEU 265          3HD2      LEU 265  43.858   1.268   2.626
  138    H    ASN 266           H        ASN 266  42.246   7.099   2.436
  139    HA   ASN 266           HA       ASN 266  39.544   7.850   3.250
  140   1HB   ASN 266          1HB       ASN 266  40.556   9.579   4.259
  141   2HB   ASN 266          2HB       ASN 266  42.095   8.852   3.800
  142   1HD2  ASN 266          1HD2      ASN 266  43.045   9.575   1.684
  143   2HD2  ASN 266          2HD2      ASN 266  42.644  11.109   1.079
  144    H    ASP 267           H        ASP 267  41.833   8.557   0.619
  145    HA   ASP 267           HA       ASP 267  40.136  10.259  -0.856
  146   1HB   ASP 267          1HB       ASP 267  42.711   9.620  -1.095
  147   2HB   ASP 267          2HB       ASP 267  42.064   8.501  -2.294
  148    H    ALA 268           H        ALA 268  40.063   6.878  -0.354
  149    HA   ALA 268           HA       ALA 268  38.553   6.327  -2.795
  150   1HB   ALA 268          1HB       ALA 268  38.430   4.025  -1.357
  151   2HB   ALA 268          2HB       ALA 268  39.916   4.729  -0.719
  152   3HB   ALA 268          3HB       ALA 268  39.753   4.431  -2.449
  153    H    VAL 269           H        VAL 269  38.021   5.697   0.683
  154    HA   VAL 269           HA       VAL 269  35.258   5.232   0.471
  155    HB   VAL 269           HB       VAL 269  36.944   6.183   2.793
  156   1HG1  VAL 269          1HG1      VAL 269  34.786   6.867   3.422
  157   2HG1  VAL 269          2HG1      VAL 269  34.881   5.233   4.079
  158   3HG1  VAL 269          3HG1      VAL 269  34.013   5.528   2.572
  159   1HG2  VAL 269          1HG2      VAL 269  35.791   3.500   1.971
  160   2HG2  VAL 269          2HG2      VAL 269  36.587   3.805   3.515
  161   3HG2  VAL 269          3HG2      VAL 269  37.497   3.945   2.011
  162    H    THR 270           H        THR 270  36.959   8.082   0.003
  163    HA   THR 270           HA       THR 270  35.130   9.972   1.118
  164    HB   THR 270           HB       THR 270  37.383  10.106  -0.861
  165    HG1  THR 270           HG1      THR 270  38.341  11.030   0.784
  166   1HG2  THR 270          1HG2      THR 270  35.247  12.168  -0.358
  167   2HG2  THR 270          2HG2      THR 270  35.940  11.653  -1.894
  168   3HG2  THR 270          3HG2      THR 270  36.884  12.655  -0.793
  169    H    VAL 271           H        VAL 271  35.824   9.304  -2.316
  170    HA   VAL 271           HA       VAL 271  33.759  10.577  -3.521
  171    HB   VAL 271           HB       VAL 271  34.750   7.798  -4.200
  172   1HG1  VAL 271          1HG1      VAL 271  32.845   8.024  -5.520
  173   2HG1  VAL 271          2HG1      VAL 271  34.062   8.767  -6.558
  174   3HG1  VAL 271          3HG1      VAL 271  32.984   9.781  -5.599
  175   1HG2  VAL 271          1HG2      VAL 271  36.135  10.211  -4.122
  176   2HG2  VAL 271          2HG2      VAL 271  35.652  10.067  -5.811
  177   3HG2  VAL 271          3HG2      VAL 271  36.600   8.788  -5.053
  178    H    VAL 272           H        VAL 272  33.528   7.842  -1.423
  179    HA   VAL 272           HA       VAL 272  30.739   7.340  -2.189
  180    HB   VAL 272           HB       VAL 272  31.970   5.796   0.013
  181   1HG1  VAL 272          1HG1      VAL 272  30.861   3.960  -1.171
  182   2HG1  VAL 272          2HG1      VAL 272  30.520   5.022  -2.537
  183   3HG1  VAL 272          3HG1      VAL 272  29.740   5.309  -0.982
  184   1HG2  VAL 272          1HG2      VAL 272  33.932   5.945  -1.355
  185   2HG2  VAL 272          2HG2      VAL 272  32.994   5.755  -2.836
  186   3HG2  VAL 272          3HG2      VAL 272  33.190   4.390  -1.736
  187    H    LEU 273           H        LEU 273  32.697   8.607   0.434
  188    HA   LEU 273           HA       LEU 273  30.512   8.716   2.315
  189   1HB   LEU 273          1HB       LEU 273  32.909   8.476   2.995
  190   2HB   LEU 273          2HB       LEU 273  33.189  10.121   2.434
  191    HG   LEU 273           HG       LEU 273  31.442  10.929   4.024
  192   1HD1  LEU 273          1HD1      LEU 273  29.980   9.221   4.543
  193   2HD1  LEU 273          2HD1      LEU 273  31.075   9.072   5.917
  194   3HD1  LEU 273          3HD1      LEU 273  31.243   7.991   4.535
  195   1HD2  LEU 273          1HD2      LEU 273  33.320  11.283   5.225
  196   2HD2  LEU 273          2HD2      LEU 273  34.029   9.762   4.686
  197   3HD2  LEU 273          3HD2      LEU 273  32.947   9.786   6.079
  198    H    TYR 274           H        TYR 274  32.482  11.282   0.781
  199    HA   TYR 274           HA       TYR 274  30.810  13.409   1.534
  200   1HB   TYR 274          1HB       TYR 274  32.335  14.683   0.472
  201   2HB   TYR 274          2HB       TYR 274  33.226  13.180   0.242
  202    HD1  TYR 274           HD1      TYR 274  31.958  15.964  -1.441
  203    HD2  TYR 274           HD2      TYR 274  32.244  11.693  -1.802
  204    HE1  TYR 274           HE1      TYR 274  31.664  16.151  -3.895
  205    HE2  TYR 274           HE2      TYR 274  31.952  11.881  -4.257
  206    HH   TYR 274           HH       TYR 274  31.434  13.257  -5.945
  207    H    LYS 275           H        LYS 275  29.930  10.890  -0.327
  208    HA   LYS 275           HA       LYS 275  28.782  11.603  -2.651
  209   1HB   LYS 275          1HB       LYS 275  27.825   9.874  -0.412
  210   2HB   LYS 275          2HB       LYS 275  26.719  10.204  -1.745
  211   1HG   LYS 275          1HG       LYS 275  29.548   9.355  -2.316
  212   2HG   LYS 275          2HG       LYS 275  28.335   8.143  -1.908
  213   1HD   LYS 275          1HD       LYS 275  27.230   8.392  -3.890
  214   2HD   LYS 275          2HD       LYS 275  27.487  10.135  -3.932
  215   1HE   LYS 275          1HE       LYS 275  29.730   9.874  -4.734
  216   2HE   LYS 275          2HE       LYS 275  29.701   8.136  -4.433
  217   1HZ   LYS 275          1HZ       LYS 275  28.474   9.673  -6.593
  218   2HZ   LYS 275          2HZ       LYS 275  27.632   8.309  -6.032
  219   3HZ   LYS 275          3HZ       LYS 275  29.212   8.146  -6.634
  220    H    LYS 276           H        LYS 276  27.890  12.817   0.487
  221    HA   LYS 276           HA       LYS 276  25.957  14.626  -0.809
  222   1HB   LYS 276          1HB       LYS 276  24.793  14.305   1.615
  223   2HB   LYS 276          2HB       LYS 276  24.332  13.381   0.185
  224   1HG   LYS 276          1HG       LYS 276  25.744  11.537   0.824
  225   2HG   LYS 276          2HG       LYS 276  26.479  12.479   2.121
  226   1HD   LYS 276          1HD       LYS 276  24.404  12.534   3.355
  227   2HD   LYS 276          2HD       LYS 276  23.527  11.812   2.006
  228   1HE   LYS 276          1HE       LYS 276  25.812  10.182   2.765
  229   2HE   LYS 276          2HE       LYS 276  24.726  10.439   4.131
  230   1HZ   LYS 276          1HZ       LYS 276  22.883   9.690   2.785
  231   2HZ   LYS 276          2HZ       LYS 276  24.099   8.502   2.811
  232   3HZ   LYS 276          3HZ       LYS 276  23.900   9.487   1.442
  233   1HN   NH2 277          1HN       NH2 277  27.129  14.136   2.568
  234   2HN   NH2 277          2HN       NH2 277  27.728  15.726   2.736
  Start of MODEL   25
    1   1H    HIS 250          1H        HIS 250  58.546  -7.616  10.954
    2   2H    HIS 250          2H        HIS 250  57.255  -8.547  10.358
    3   3H    HIS 250          3H        HIS 250  57.240  -7.998  11.967
    4    HA   HIS 250           HA       HIS 250  57.189  -6.221   9.591
    5   1HB   HIS 250          1HB       HIS 250  55.145  -7.849  10.365
    6   2HB   HIS 250          2HB       HIS 250  54.833  -6.433  11.369
    7    HD2  HIS 250           HD2      HIS 250  55.711  -6.862   7.487
    8    HE1  HIS 250           HE1      HIS 250  52.767  -3.870   7.949
    9    HE2  HIS 250           HE2      HIS 250  54.178  -5.139   6.262
   10    H    ILE 251           H        ILE 251  58.356  -4.519  10.301
   11    HA   ILE 251           HA       ILE 251  58.079  -3.641  13.091
   12    HB   ILE 251           HB       ILE 251  59.885  -2.144  11.314
   13   1HG1  ILE 251          1HG1      ILE 251  60.180  -4.339  10.297
   14   2HG1  ILE 251          2HG1      ILE 251  61.581  -3.983  11.304
   15   1HG2  ILE 251          1HG2      ILE 251  60.292  -3.604  13.941
   16   2HG2  ILE 251          2HG2      ILE 251  59.792  -1.920  13.788
   17   3HG2  ILE 251          3HG2      ILE 251  61.387  -2.420  13.226
   18   1HD1  ILE 251          1HD1      ILE 251  59.638  -6.142  11.549
   19   2HD1  ILE 251          2HD1      ILE 251  59.791  -5.234  13.052
   20   3HD1  ILE 251          3HD1      ILE 251  61.215  -5.966  12.316
   21    H    ASN 252           H        ASN 252  58.256  -1.110  13.249
   22    HA   ASN 252           HA       ASN 252  55.862  -0.077  12.005
   23   1HB   ASN 252          1HB       ASN 252  57.871   1.090  13.934
   24   2HB   ASN 252          2HB       ASN 252  56.507   2.012  13.304
   25   1HD2  ASN 252          1HD2      ASN 252  56.515  -1.468  14.165
   26   2HD2  ASN 252          2HD2      ASN 252  55.357  -1.321  15.397
   27    H    GLU 253           H        GLU 253  59.261   0.049  11.424
   28    HA   GLU 253           HA       GLU 253  59.866   2.353  10.190
   29   1HB   GLU 253          1HB       GLU 253  60.426  -0.457   9.248
   30   2HB   GLU 253          2HB       GLU 253  61.121   0.959   8.459
   31   1HG   GLU 253          1HG       GLU 253  62.097   1.676  10.614
   32   2HG   GLU 253          2HG       GLU 253  61.420   0.246  11.391
   33    H    LEU 254           H        LEU 254  57.504   0.051   9.068
   34    HA   LEU 254           HA       LEU 254  57.251   0.922   6.394
   35   1HB   LEU 254          1HB       LEU 254  55.403  -0.459   8.325
   36   2HB   LEU 254          2HB       LEU 254  54.832   0.037   6.731
   37    HG   LEU 254           HG       LEU 254  56.530  -1.290   5.636
   38   1HD1  LEU 254          1HD1      LEU 254  57.577  -1.649   8.449
   39   2HD1  LEU 254          2HD1      LEU 254  58.430  -1.009   7.044
   40   3HD1  LEU 254          3HD1      LEU 254  58.042  -2.727   7.133
   41   1HD2  LEU 254          1HD2      LEU 254  54.416  -2.367   6.787
   42   2HD2  LEU 254          2HD2      LEU 254  55.617  -3.117   7.839
   43   3HD2  LEU 254          3HD2      LEU 254  55.664  -3.408   6.100
   44    H    LEU 255           H        LEU 255  56.891   2.686   9.124
   45    HA   LEU 255           HA       LEU 255  54.618   4.116   9.191
   46   1HB   LEU 255          1HB       LEU 255  57.479   4.960   9.436
   47   2HB   LEU 255          2HB       LEU 255  56.217   6.191   9.471
   48    HG   LEU 255           HG       LEU 255  55.818   3.769  11.169
   49   1HD1  LEU 255          1HD1      LEU 255  57.955   5.838  11.561
   50   2HD1  LEU 255          2HD1      LEU 255  58.001   4.108  11.902
   51   3HD1  LEU 255          3HD1      LEU 255  57.113   5.195  12.970
   52   1HD2  LEU 255          1HD2      LEU 255  54.259   5.819  10.864
   53   2HD2  LEU 255          2HD2      LEU 255  55.432   6.682  11.859
   54   3HD2  LEU 255          3HD2      LEU 255  54.585   5.279  12.510
   55    H    HIS 256           H        HIS 256  57.280   5.516   7.289
   56    HA   HIS 256           HA       HIS 256  55.815   7.274   5.779
   57   1HB   HIS 256          1HB       HIS 256  58.178   5.653   4.800
   58   2HB   HIS 256          2HB       HIS 256  57.608   7.176   4.118
   59    HD2  HIS 256           HD2      HIS 256  59.854   5.940   7.005
   60    HE1  HIS 256           HE1      HIS 256  59.321  10.092   7.559
   61    HE2  HIS 256           HE2      HIS 256  60.627   8.055   8.332
   62    H    ILE 257           H        ILE 257  56.408   3.846   5.114
   63    HA   ILE 257           HA       ILE 257  55.030   3.810   2.618
   64    HB   ILE 257           HB       ILE 257  55.963   1.697   4.547
   65   1HG1  ILE 257          1HG1      ILE 257  57.455   1.131   2.732
   66   2HG1  ILE 257          2HG1      ILE 257  56.589   2.193   1.622
   67   1HG2  ILE 257          1HG2      ILE 257  54.144   1.397   2.158
   68   2HG2  ILE 257          2HG2      ILE 257  53.982   0.675   3.759
   69   3HG2  ILE 257          3HG2      ILE 257  55.223   0.094   2.651
   70   1HD1  ILE 257          1HD1      ILE 257  57.343   4.153   2.740
   71   2HD1  ILE 257          2HD1      ILE 257  58.764   3.116   2.623
   72   3HD1  ILE 257          3HD1      ILE 257  57.884   3.234   4.146
   73    H    LEU 258           H        LEU 258  54.038   3.789   5.903
   74    HA   LEU 258           HA       LEU 258  51.508   2.493   5.523
   75   1HB   LEU 258          1HB       LEU 258  53.030   3.233   7.715
   76   2HB   LEU 258          2HB       LEU 258  51.658   4.338   7.780
   77    HG   LEU 258           HG       LEU 258  51.497   1.316   7.562
   78   1HD1  LEU 258          1HD1      LEU 258  50.465   1.530   9.831
   79   2HD1  LEU 258          2HD1      LEU 258  50.876   3.245   9.818
   80   3HD1  LEU 258          3HD1      LEU 258  52.155   2.033   9.796
   81   1HD2  LEU 258          1HD2      LEU 258  49.004   2.192   8.232
   82   2HD2  LEU 258          2HD2      LEU 258  49.508   1.861   6.576
   83   3HD2  LEU 258          3HD2      LEU 258  49.541   3.511   7.194
   84    H    VAL 259           H        VAL 259  52.496   5.888   6.015
   85    HA   VAL 259           HA       VAL 259  50.011   7.099   5.794
   86    HB   VAL 259           HB       VAL 259  52.559   8.243   4.639
   87   1HG1  VAL 259          1HG1      VAL 259  51.453  10.221   4.635
   88   2HG1  VAL 259          2HG1      VAL 259  50.737   9.918   6.218
   89   3HG1  VAL 259          3HG1      VAL 259  49.987   9.250   4.768
   90   1HG2  VAL 259          1HG2      VAL 259  52.863   9.147   6.994
   91   2HG2  VAL 259          2HG2      VAL 259  53.143   7.415   6.820
   92   3HG2  VAL 259          3HG2      VAL 259  51.630   7.998   7.512
   93    H    PHE 260           H        PHE 260  52.373   7.054   3.108
   94    HA   PHE 260           HA       PHE 260  50.682   7.792   1.074
   95   1HB   PHE 260          1HB       PHE 260  52.597   5.569   0.516
   96   2HB   PHE 260          2HB       PHE 260  52.294   7.044  -0.400
   97    HD1  PHE 260           HD1      PHE 260  52.482   9.048   1.859
   98    HD2  PHE 260           HD2      PHE 260  54.947   5.684   0.829
   99    HE1  PHE 260           HE1      PHE 260  54.417  10.128   2.968
  100    HE2  PHE 260           HE2      PHE 260  56.884   6.767   1.935
  101    HZ   PHE 260           HZ       PHE 260  56.618   8.990   3.006
  102    H    GLY 261           H        GLY 261  50.744   4.836   2.845
  103   1HA   GLY 261          1HA       GLY 261  49.063   3.422   0.915
  104   2HA   GLY 261          2HA       GLY 261  49.723   2.759   2.406
  105    H    GLU 262           H        GLU 262  48.795   5.232   3.872
  106    HA   GLU 262           HA       GLU 262  46.072   4.275   4.367
  107   1HB   GLU 262          1HB       GLU 262  46.369   4.936   6.514
  108   2HB   GLU 262          2HB       GLU 262  48.076   4.959   6.085
  109   1HG   GLU 262          1HG       GLU 262  47.733   7.397   5.391
  110   2HG   GLU 262          2HG       GLU 262  46.160   7.301   6.184
  111    H    SER 263           H        SER 263  47.790   7.057   3.149
  112    HA   SER 263           HA       SER 263  45.762   8.991   3.329
  113   1HB   SER 263          1HB       SER 263  48.351   8.837   2.251
  114   2HB   SER 263          2HB       SER 263  47.306   9.297   0.910
  115    HG   SER 263           HG       SER 263  46.396  10.850   2.512
  116    H    LEU 264           H        LEU 264  46.643   6.919   0.556
  117    HA   LEU 264           HA       LEU 264  44.422   7.754  -1.013
  118   1HB   LEU 264          1HB       LEU 264  45.183   6.293  -2.640
  119   2HB   LEU 264          2HB       LEU 264  46.658   6.604  -1.736
  120    HG   LEU 264           HG       LEU 264  44.859   4.165  -1.485
  121   1HD1  LEU 264          1HD1      LEU 264  47.757   4.430  -2.318
  122   2HD1  LEU 264          2HD1      LEU 264  46.412   4.303  -3.450
  123   3HD1  LEU 264          3HD1      LEU 264  46.771   2.968  -2.355
  124   1HD2  LEU 264          1HD2      LEU 264  45.637   4.428   0.715
  125   2HD2  LEU 264          2HD2      LEU 264  47.132   5.202   0.195
  126   3HD2  LEU 264          3HD2      LEU 264  46.921   3.465  -0.006
  127    H    LEU 265           H        LEU 265  44.358   6.119   1.788
  128    HA   LEU 265           HA       LEU 265  42.313   4.168   1.042
  129   1HB   LEU 265          1HB       LEU 265  44.226   3.867   2.810
  130   2HB   LEU 265          2HB       LEU 265  43.122   4.745   3.869
  131    HG   LEU 265           HG       LEU 265  41.375   2.989   2.840
  132   1HD1  LEU 265          1HD1      LEU 265  43.240   1.987   1.437
  133   2HD1  LEU 265          2HD1      LEU 265  42.374   0.835   2.453
  134   3HD1  LEU 265          3HD1      LEU 265  43.964   1.420   2.942
  135   1HD2  LEU 265          1HD2      LEU 265  41.933   1.527   4.843
  136   2HD2  LEU 265          2HD2      LEU 265  41.710   3.237   5.210
  137   3HD2  LEU 265          3HD2      LEU 265  43.336   2.562   5.110
  138    H    ASN 266           H        ASN 266  42.628   7.305   2.534
  139    HA   ASN 266           HA       ASN 266  39.893   7.309   3.525
  140   1HB   ASN 266          1HB       ASN 266  40.574   9.020   4.814
  141   2HB   ASN 266          2HB       ASN 266  42.203   8.652   4.250
  142   1HD2  ASN 266          1HD2      ASN 266  42.442   9.637   1.772
  143   2HD2  ASN 266          2HD2      ASN 266  42.010  11.275   1.679
  144    H    ASP 267           H        ASP 267  41.391   7.811   0.575
  145    HA   ASP 267           HA       ASP 267  39.572   9.898  -0.348
  146   1HB   ASP 267          1HB       ASP 267  42.077   8.714  -1.261
  147   2HB   ASP 267          2HB       ASP 267  40.904   8.900  -2.564
  148    H    ALA 268           H        ALA 268  39.942   6.435  -0.469
  149    HA   ALA 268           HA       ALA 268  38.153   5.959  -2.645
  150   1HB   ALA 268          1HB       ALA 268  38.473   3.904  -0.522
  151   2HB   ALA 268          2HB       ALA 268  39.934   4.406  -1.373
  152   3HB   ALA 268          3HB       ALA 268  38.572   3.740  -2.275
  153    H    VAL 269           H        VAL 269  37.789   5.822   0.895
  154    HA   VAL 269           HA       VAL 269  35.165   4.985   1.088
  155    HB   VAL 269           HB       VAL 269  36.650   5.364   3.027
  156   1HG1  VAL 269          1HG1      VAL 269  37.543   7.389   3.517
  157   2HG1  VAL 269          2HG1      VAL 269  36.018   8.226   3.228
  158   3HG1  VAL 269          3HG1      VAL 269  37.079   7.836   1.875
  159   1HG2  VAL 269          1HG2      VAL 269  34.199   7.105   3.328
  160   2HG2  VAL 269          2HG2      VAL 269  34.926   6.027   4.518
  161   3HG2  VAL 269          3HG2      VAL 269  34.067   5.358   3.130
  162    H    THR 270           H        THR 270  36.311   7.794  -0.409
  163    HA   THR 270           HA       THR 270  33.845   9.313  -0.015
  164    HB   THR 270           HB       THR 270  34.954  11.125  -1.046
  165    HG1  THR 270           HG1      THR 270  36.342  10.846  -2.599
  166   1HG2  THR 270          1HG2      THR 270  35.899  10.356   1.175
  167   2HG2  THR 270          2HG2      THR 270  37.004  11.320   0.194
  168   3HG2  THR 270          3HG2      THR 270  37.191   9.569   0.270
  169    H    VAL 271           H        VAL 271  34.728   6.794  -1.917
  170    HA   VAL 271           HA       VAL 271  32.722   7.500  -3.934
  171    HB   VAL 271           HB       VAL 271  35.407   6.366  -4.728
  172   1HG1  VAL 271          1HG1      VAL 271  33.199   7.652  -6.361
  173   2HG1  VAL 271          2HG1      VAL 271  33.393   5.910  -6.167
  174   3HG1  VAL 271          3HG1      VAL 271  34.644   6.851  -6.979
  175   1HG2  VAL 271          1HG2      VAL 271  35.830   8.606  -3.945
  176   2HG2  VAL 271          2HG2      VAL 271  34.382   9.219  -4.742
  177   3HG2  VAL 271          3HG2      VAL 271  35.758   8.683  -5.705
  178    H    VAL 272           H        VAL 272  35.116   4.920  -3.346
  179    HA   VAL 272           HA       VAL 272  33.613   2.780  -4.236
  180    HB   VAL 272           HB       VAL 272  36.072   2.903  -3.373
  181   1HG1  VAL 272          1HG1      VAL 272  36.451   2.346  -1.121
  182   2HG1  VAL 272          2HG1      VAL 272  34.803   1.762  -0.890
  183   3HG1  VAL 272          3HG1      VAL 272  35.114   3.493  -1.020
  184   1HG2  VAL 272          1HG2      VAL 272  35.689   0.356  -2.606
  185   2HG2  VAL 272          2HG2      VAL 272  35.566   0.851  -4.294
  186   3HG2  VAL 272          3HG2      VAL 272  34.106   0.658  -3.323
  187    H    LEU 273           H        LEU 273  32.886   4.799  -1.651
  188    HA   LEU 273           HA       LEU 273  31.446   2.744  -0.145
  189   1HB   LEU 273          1HB       LEU 273  32.857   4.917   0.697
  190   2HB   LEU 273          2HB       LEU 273  31.226   5.574   0.678
  191    HG   LEU 273           HG       LEU 273  31.653   4.643   2.874
  192   1HD1  LEU 273          1HD1      LEU 273  29.429   4.180   1.525
  193   2HD1  LEU 273          2HD1      LEU 273  29.693   3.432   3.097
  194   3HD1  LEU 273          3HD1      LEU 273  29.968   2.503   1.626
  195   1HD2  LEU 273          1HD2      LEU 273  33.165   2.735   1.446
  196   2HD2  LEU 273          2HD2      LEU 273  31.846   1.834   2.194
  197   3HD2  LEU 273          3HD2      LEU 273  32.924   2.810   3.191
  198    H    TYR 274           H        TYR 274  30.600   6.058  -1.185
  199    HA   TYR 274           HA       TYR 274  27.799   5.391  -1.214
  200   1HB   TYR 274          1HB       TYR 274  28.836   7.922  -2.423
  201   2HB   TYR 274          2HB       TYR 274  27.414   7.653  -1.417
  202    HD1  TYR 274           HD1      TYR 274  28.414   6.225   0.893
  203    HD2  TYR 274           HD2      TYR 274  30.244   9.426  -1.310
  204    HE1  TYR 274           HE1      TYR 274  29.714   6.865   2.904
  205    HE2  TYR 274           HE2      TYR 274  31.547  10.065   0.700
  206    HH   TYR 274           HH       TYR 274  30.832   8.919   3.793
  207    H    LYS 275           H        LYS 275  29.567   7.042  -3.830
  208    HA   LYS 275           HA       LYS 275  27.917   6.479  -5.912
  209   1HB   LYS 275          1HB       LYS 275  30.889   6.182  -6.291
  210   2HB   LYS 275          2HB       LYS 275  29.707   6.866  -7.399
  211   1HG   LYS 275          1HG       LYS 275  30.628   8.087  -4.776
  212   2HG   LYS 275          2HG       LYS 275  31.026   8.663  -6.387
  213   1HD   LYS 275          1HD       LYS 275  28.262   8.605  -5.134
  214   2HD   LYS 275          2HD       LYS 275  29.240  10.033  -5.450
  215   1HE   LYS 275          1HE       LYS 275  27.830   8.251  -7.423
  216   2HE   LYS 275          2HE       LYS 275  27.804  10.008  -7.295
  217   1HZ   LYS 275          1HZ       LYS 275  30.368   9.653  -7.748
  218   2HZ   LYS 275          2HZ       LYS 275  29.240   9.800  -9.009
  219   3HZ   LYS 275          3HZ       LYS 275  29.789   8.265  -8.532
  220    H    LYS 276           H        LYS 276  30.350   4.283  -4.562
  221    HA   LYS 276           HA       LYS 276  28.871   2.008  -5.554
  222   1HB   LYS 276          1HB       LYS 276  31.045   1.122  -6.680
  223   2HB   LYS 276          2HB       LYS 276  30.024   2.249  -7.573
  224   1HG   LYS 276          1HG       LYS 276  31.565   3.930  -7.470
  225   2HG   LYS 276          2HG       LYS 276  32.063   3.506  -5.832
  226   1HD   LYS 276          1HD       LYS 276  33.883   3.094  -7.453
  227   2HD   LYS 276          2HD       LYS 276  33.343   1.592  -6.704
  228   1HE   LYS 276          1HE       LYS 276  31.816   2.254  -9.111
  229   2HE   LYS 276          2HE       LYS 276  33.538   2.057  -9.436
  230   1HZ   LYS 276          1HZ       LYS 276  31.657   0.116  -8.244
  231   2HZ   LYS 276          2HZ       LYS 276  33.336  -0.041  -8.039
  232   3HZ   LYS 276          3HZ       LYS 276  32.661  -0.078  -9.598
  233   1HN   NH2 277          1HN       NH2 277  32.214   1.353  -5.241
  234   2HN   NH2 277          2HN       NH2 277  32.190   0.845  -3.613
  Start of MODEL   26
    1   1H    HIS 250          1H        HIS 250  52.456  -7.739  14.359
    2   2H    HIS 250          2H        HIS 250  52.158  -8.826  15.629
    3   3H    HIS 250          3H        HIS 250  53.560  -7.866  15.639
    4    HA   HIS 250           HA       HIS 250  51.181  -7.288  16.864
    5   1HB   HIS 250          1HB       HIS 250  53.825  -6.274  16.642
    6   2HB   HIS 250          2HB       HIS 250  52.732  -4.910  16.404
    7    HD2  HIS 250           HD2      HIS 250  50.421  -5.439  18.562
    8    HE1  HIS 250           HE1      HIS 250  53.491  -6.120  21.378
    9    HE2  HIS 250           HE2      HIS 250  51.020  -5.605  21.098
   10    H    ILE 251           H        ILE 251  50.416  -4.771  16.595
   11    HA   ILE 251           HA       ILE 251  49.219  -4.694  13.907
   12    HB   ILE 251           HB       ILE 251  48.427  -3.335  16.493
   13   1HG1  ILE 251          1HG1      ILE 251  46.468  -5.047  15.210
   14   2HG1  ILE 251          2HG1      ILE 251  47.963  -5.934  15.510
   15   1HG2  ILE 251          1HG2      ILE 251  47.779  -1.839  14.771
   16   2HG2  ILE 251          2HG2      ILE 251  46.337  -2.809  15.074
   17   3HG2  ILE 251          3HG2      ILE 251  47.355  -3.154  13.675
   18   1HD1  ILE 251          1HD1      ILE 251  46.549  -4.258  17.601
   19   2HD1  ILE 251          2HD1      ILE 251  47.921  -5.337  17.856
   20   3HD1  ILE 251          3HD1      ILE 251  46.342  -6.001  17.435
   21    H    ASN 252           H        ASN 252  51.301  -2.946  16.085
   22    HA   ASN 252           HA       ASN 252  51.205  -0.401  14.864
   23   1HB   ASN 252          1HB       ASN 252  53.149  -1.837  16.625
   24   2HB   ASN 252          2HB       ASN 252  53.655  -0.341  15.843
   25   1HD2  ASN 252          1HD2      ASN 252  51.344  -1.709  18.172
   26   2HD2  ASN 252          2HD2      ASN 252  50.873  -0.218  18.832
   27    H    GLU 253           H        GLU 253  52.833  -3.362  14.013
   28    HA   GLU 253           HA       GLU 253  54.883  -2.459  12.374
   29   1HB   GLU 253          1HB       GLU 253  53.217  -4.784  11.491
   30   2HB   GLU 253          2HB       GLU 253  54.972  -4.610  11.519
   31   1HG   GLU 253          1HG       GLU 253  54.549  -4.419  14.143
   32   2HG   GLU 253          2HG       GLU 253  53.105  -5.344  13.733
   33    H    LEU 254           H        LEU 254  51.433  -2.580  11.798
   34    HA   LEU 254           HA       LEU 254  51.521  -2.140   8.987
   35   1HB   LEU 254          1HB       LEU 254  49.414  -1.838  11.108
   36   2HB   LEU 254          2HB       LEU 254  49.120  -1.255   9.469
   37    HG   LEU 254           HG       LEU 254  49.554  -3.464   8.550
   38   1HD1  LEU 254          1HD1      LEU 254  51.273  -4.330   9.937
   39   2HD1  LEU 254          2HD1      LEU 254  49.880  -5.360  10.267
   40   3HD1  LEU 254          3HD1      LEU 254  50.325  -4.087  11.403
   41   1HD2  LEU 254          1HD2      LEU 254  47.507  -4.313   9.122
   42   2HD2  LEU 254          2HD2      LEU 254  47.348  -2.786   9.991
   43   3HD2  LEU 254          3HD2      LEU 254  47.849  -4.242  10.850
   44    H    LEU 255           H        LEU 255  52.707  -0.244  11.330
   45    HA   LEU 255           HA       LEU 255  51.735   2.300  11.113
   46   1HB   LEU 255          1HB       LEU 255  54.307   1.101  11.762
   47   2HB   LEU 255          2HB       LEU 255  54.488   2.686  11.013
   48    HG   LEU 255           HG       LEU 255  52.571   2.159  13.296
   49   1HD1  LEU 255          1HD1      LEU 255  55.468   3.030  13.315
   50   2HD1  LEU 255          2HD1      LEU 255  54.727   1.704  14.212
   51   3HD1  LEU 255          3HD1      LEU 255  54.370   3.374  14.651
   52   1HD2  LEU 255          1HD2      LEU 255  52.013   4.338  13.058
   53   2HD2  LEU 255          2HD2      LEU 255  52.876   4.304  11.520
   54   3HD2  LEU 255          3HD2      LEU 255  53.706   4.827  12.985
   55    H    HIS 256           H        HIS 256  54.416   1.096   9.076
   56    HA   HIS 256           HA       HIS 256  54.425   3.235   7.273
   57   1HB   HIS 256          1HB       HIS 256  55.314   0.369   7.074
   58   2HB   HIS 256          2HB       HIS 256  55.430   1.449   5.684
   59    HD2  HIS 256           HD2      HIS 256  56.220   2.628   9.377
   60    HE1  HIS 256           HE1      HIS 256  59.758   2.889   7.088
   61    HE2  HIS 256           HE2      HIS 256  58.715   3.400   9.346
   62    H    ILE 257           H        ILE 257  52.233   0.600   7.603
   63    HA   ILE 257           HA       ILE 257  51.166   0.921   4.900
   64    HB   ILE 257           HB       ILE 257  50.596  -0.976   7.173
   65   1HG1  ILE 257          1HG1      ILE 257  51.066  -1.937   4.426
   66   2HG1  ILE 257          2HG1      ILE 257  52.422  -1.039   5.111
   67   1HG2  ILE 257          1HG2      ILE 257  48.419  -0.623   6.340
   68   2HG2  ILE 257          2HG2      ILE 257  48.989  -2.008   5.408
   69   3HG2  ILE 257          3HG2      ILE 257  48.991  -0.398   4.686
   70   1HD1  ILE 257          1HD1      ILE 257  52.361  -3.573   5.560
   71   2HD1  ILE 257          2HD1      ILE 257  51.029  -3.222   6.661
   72   3HD1  ILE 257          3HD1      ILE 257  52.621  -2.520   6.951
   73    H    LEU 258           H        LEU 258  50.537   1.933   8.152
   74    HA   LEU 258           HA       LEU 258  47.782   2.450   8.021
   75   1HB   LEU 258          1HB       LEU 258  49.955   3.054   9.793
   76   2HB   LEU 258          2HB       LEU 258  48.985   4.507   9.552
   77    HG   LEU 258           HG       LEU 258  47.843   1.793  10.274
   78   1HD1  LEU 258          1HD1      LEU 258  47.373   3.440  12.408
   79   2HD1  LEU 258          2HD1      LEU 258  48.969   3.990  11.899
   80   3HD1  LEU 258          3HD1      LEU 258  48.712   2.297  12.318
   81   1HD2  LEU 258          1HD2      LEU 258  45.846   2.738   9.827
   82   2HD2  LEU 258          2HD2      LEU 258  46.681   4.170   9.228
   83   3HD2  LEU 258          3HD2      LEU 258  46.208   4.070  10.924
   84    H    VAL 259           H        VAL 259  50.526   4.637   7.377
   85    HA   VAL 259           HA       VAL 259  48.854   6.759   6.420
   86    HB   VAL 259           HB       VAL 259  51.820   6.233   6.380
   87   1HG1  VAL 259          1HG1      VAL 259  51.795   8.736   5.546
   88   2HG1  VAL 259          2HG1      VAL 259  50.219   8.292   4.893
   89   3HG1  VAL 259          3HG1      VAL 259  51.664   7.420   4.380
   90   1HG2  VAL 259          1HG2      VAL 259  50.762   6.977   8.488
   91   2HG2  VAL 259          2HG2      VAL 259  50.073   8.368   7.650
   92   3HG2  VAL 259          3HG2      VAL 259  51.821   8.229   7.837
   93    H    PHE 260           H        PHE 260  51.141   4.554   4.785
   94    HA   PHE 260           HA       PHE 260  50.665   5.326   2.163
   95   1HB   PHE 260          1HB       PHE 260  51.464   2.713   3.413
   96   2HB   PHE 260          2HB       PHE 260  51.196   2.825   1.674
   97    HD1  PHE 260           HD1      PHE 260  52.906   4.749   4.409
   98    HD2  PHE 260           HD2      PHE 260  53.028   3.379   0.338
   99    HE1  PHE 260           HE1      PHE 260  55.151   5.764   4.134
  100    HE2  PHE 260           HE2      PHE 260  55.273   4.395   0.065
  101    HZ   PHE 260           HZ       PHE 260  56.335   5.588   1.962
  102    H    GLY 261           H        GLY 261  48.510   3.911   4.351
  103   1HA   GLY 261          1HA       GLY 261  46.790   2.847   2.205
  104   2HA   GLY 261          2HA       GLY 261  46.641   2.465   3.917
  105    H    GLU 262           H        GLU 262  46.855   5.126   4.911
  106    HA   GLU 262           HA       GLU 262  44.170   5.942   4.835
  107   1HB   GLU 262          1HB       GLU 262  46.691   7.376   5.673
  108   2HB   GLU 262          2HB       GLU 262  45.086   8.085   5.852
  109   1HG   GLU 262          1HG       GLU 262  45.269   5.324   6.841
  110   2HG   GLU 262          2HG       GLU 262  46.305   6.455   7.710
  111    H    SER 263           H        SER 263  46.918   7.865   3.619
  112    HA   SER 263           HA       SER 263  45.458   9.679   2.123
  113   1HB   SER 263          1HB       SER 263  48.256   8.629   1.900
  114   2HB   SER 263          2HB       SER 263  47.635   9.735   0.680
  115    HG   SER 263           HG       SER 263  47.281  11.252   2.256
  116    H    LEU 264           H        LEU 264  46.312   6.385   1.347
  117    HA   LEU 264           HA       LEU 264  45.602   6.662  -1.454
  118   1HB   LEU 264          1HB       LEU 264  46.479   4.368   0.285
  119   2HB   LEU 264          2HB       LEU 264  45.861   4.095  -1.344
  120    HG   LEU 264           HG       LEU 264  47.560   5.643  -2.248
  121   1HD1  LEU 264          1HD1      LEU 264  48.075   7.199  -0.604
  122   2HD1  LEU 264          2HD1      LEU 264  49.463   6.120  -0.468
  123   3HD1  LEU 264          3HD1      LEU 264  48.128   5.986   0.675
  124   1HD2  LEU 264          1HD2      LEU 264  48.084   3.111  -0.923
  125   2HD2  LEU 264          2HD2      LEU 264  49.532   4.119  -0.946
  126   3HD2  LEU 264          3HD2      LEU 264  48.715   3.715  -2.456
  127    H    LEU 265           H        LEU 265  44.236   5.123   1.445
  128    HA   LEU 265           HA       LEU 265  41.831   4.359  -0.011
  129   1HB   LEU 265          1HB       LEU 265  42.548   4.060   2.917
  130   2HB   LEU 265          2HB       LEU 265  41.133   3.362   2.131
  131    HG   LEU 265           HG       LEU 265  43.824   2.805   0.944
  132   1HD1  LEU 265          1HD1      LEU 265  42.828   1.836   3.593
  133   2HD1  LEU 265          2HD1      LEU 265  44.479   2.153   3.064
  134   3HD1  LEU 265          3HD1      LEU 265  43.656   0.684   2.545
  135   1HD2  LEU 265          1HD2      LEU 265  41.378   2.073   0.186
  136   2HD2  LEU 265          2HD2      LEU 265  41.634   0.811   1.390
  137   3HD2  LEU 265          3HD2      LEU 265  42.742   0.968   0.029
  138    H    ASN 266           H        ASN 266  42.918   7.180   1.203
  139    HA   ASN 266           HA       ASN 266  40.728   8.137   2.738
  140   1HB   ASN 266          1HB       ASN 266  43.166   9.228   1.552
  141   2HB   ASN 266          2HB       ASN 266  41.822  10.368   1.521
  142   1HD2  ASN 266          1HD2      ASN 266  43.054   7.923   3.890
  143   2HD2  ASN 266          2HD2      ASN 266  42.983   8.976   5.219
  144    H    ASP 267           H        ASP 267  41.659   8.999  -0.602
  145    HA   ASP 267           HA       ASP 267  39.320  10.319  -1.309
  146   1HB   ASP 267          1HB       ASP 267  41.599   9.924  -2.592
  147   2HB   ASP 267          2HB       ASP 267  40.693   8.610  -3.342
  148    H    ALA 268           H        ALA 268  39.934   6.926  -0.952
  149    HA   ALA 268           HA       ALA 268  37.546   6.119  -2.404
  150   1HB   ALA 268          1HB       ALA 268  38.412   3.917  -0.976
  151   2HB   ALA 268          2HB       ALA 268  39.905   4.809  -1.273
  152   3HB   ALA 268          3HB       ALA 268  38.886   4.320  -2.626
  153    H    VAL 269           H        VAL 269  38.707   5.934   0.966
  154    HA   VAL 269           HA       VAL 269  36.486   4.877   2.195
  155    HB   VAL 269           HB       VAL 269  38.413   6.998   3.145
  156   1HG1  VAL 269          1HG1      VAL 269  37.485   6.228   5.449
  157   2HG1  VAL 269          2HG1      VAL 269  36.075   5.696   4.532
  158   3HG1  VAL 269          3HG1      VAL 269  36.544   7.396   4.522
  159   1HG2  VAL 269          1HG2      VAL 269  38.291   4.346   4.418
  160   2HG2  VAL 269          2HG2      VAL 269  39.689   5.246   3.831
  161   3HG2  VAL 269          3HG2      VAL 269  38.721   4.292   2.708
  162    H    THR 270           H        THR 270  36.925   8.096   0.905
  163    HA   THR 270           HA       THR 270  34.793   9.407   2.195
  164    HB   THR 270           HB       THR 270  36.213   9.829  -0.422
  165    HG1  THR 270           HG1      THR 270  36.677  11.814   0.765
  166   1HG2  THR 270          1HG2      THR 270  34.105  10.623  -1.050
  167   2HG2  THR 270          2HG2      THR 270  34.854  12.063  -0.362
  168   3HG2  THR 270          3HG2      THR 270  33.700  11.129   0.590
  169    H    VAL 271           H        VAL 271  34.807   8.287  -1.194
  170    HA   VAL 271           HA       VAL 271  32.095   8.452  -1.675
  171    HB   VAL 271           HB       VAL 271  34.081   6.424  -2.725
  172   1HG1  VAL 271          1HG1      VAL 271  32.380   6.335  -4.643
  173   2HG1  VAL 271          2HG1      VAL 271  31.243   7.093  -3.527
  174   3HG1  VAL 271          3HG1      VAL 271  31.922   5.509  -3.153
  175   1HG2  VAL 271          1HG2      VAL 271  34.394   7.936  -4.533
  176   2HG2  VAL 271          2HG2      VAL 271  34.417   8.954  -3.093
  177   3HG2  VAL 271          3HG2      VAL 271  32.969   8.877  -4.096
  178    H    VAL 272           H        VAL 272  33.820   6.159   0.262
  179    HA   VAL 272           HA       VAL 272  31.558   4.313   0.378
  180    HB   VAL 272           HB       VAL 272  34.230   4.228   1.799
  181   1HG1  VAL 272          1HG1      VAL 272  33.537   1.755   1.968
  182   2HG1  VAL 272          2HG1      VAL 272  31.910   2.306   1.569
  183   3HG1  VAL 272          3HG1      VAL 272  32.704   2.888   3.033
  184   1HG2  VAL 272          1HG2      VAL 272  34.129   2.179  -0.057
  185   2HG2  VAL 272          2HG2      VAL 272  34.983   3.706  -0.278
  186   3HG2  VAL 272          3HG2      VAL 272  33.349   3.510  -0.911
  187    H    LEU 273           H        LEU 273  32.959   6.927   2.158
  188    HA   LEU 273           HA       LEU 273  31.481   6.281   4.596
  189   1HB   LEU 273          1HB       LEU 273  33.800   7.182   4.724
  190   2HB   LEU 273          2HB       LEU 273  33.238   8.666   3.961
  191    HG   LEU 273           HG       LEU 273  31.626   8.991   5.839
  192   1HD1  LEU 273          1HD1      LEU 273  32.812   6.369   6.661
  193   2HD1  LEU 273          2HD1      LEU 273  31.155   6.952   6.821
  194   3HD1  LEU 273          3HD1      LEU 273  32.402   7.525   7.927
  195   1HD2  LEU 273          1HD2      LEU 273  34.547   8.655   6.578
  196   2HD2  LEU 273          2HD2      LEU 273  33.369   9.533   7.554
  197   3HD2  LEU 273          3HD2      LEU 273  33.780  10.110   5.938
  198    H    TYR 274           H        TYR 274  31.274   8.327   1.794
  199    HA   TYR 274           HA       TYR 274  29.186   9.997   2.967
  200   1HB   TYR 274          1HB       TYR 274  30.739  10.006   0.408
  201   2HB   TYR 274          2HB       TYR 274  29.200  10.864   0.484
  202    HD1  TYR 274           HD1      TYR 274  32.129  10.363   2.787
  203    HD2  TYR 274           HD2      TYR 274  29.417  13.139   0.944
  204    HE1  TYR 274           HE1      TYR 274  33.237  12.235   3.976
  205    HE2  TYR 274           HE2      TYR 274  30.525  15.010   2.132
  206    HH   TYR 274           HH       TYR 274  32.046  14.996   4.569
  207    H    LYS 275           H        LYS 275  29.489   7.892   0.091
  208    HA   LYS 275           HA       LYS 275  26.721   7.856  -0.488
  209   1HB   LYS 275          1HB       LYS 275  28.916   7.037  -1.824
  210   2HB   LYS 275          2HB       LYS 275  28.338   5.483  -1.226
  211   1HG   LYS 275          1HG       LYS 275  27.185   5.703  -3.259
  212   2HG   LYS 275          2HG       LYS 275  26.008   6.291  -2.084
  213   1HD   LYS 275          1HD       LYS 275  27.364   8.592  -2.618
  214   2HD   LYS 275          2HD       LYS 275  27.491   7.774  -4.175
  215   1HE   LYS 275          1HE       LYS 275  24.978   7.356  -4.009
  216   2HE   LYS 275          2HE       LYS 275  24.974   8.489  -2.658
  217   1HZ   LYS 275          1HZ       LYS 275  24.472   9.645  -4.687
  218   2HZ   LYS 275          2HZ       LYS 275  25.880   9.052  -5.430
  219   3HZ   LYS 275          3HZ       LYS 275  25.996  10.143  -4.133
  220    H    LYS 276           H        LYS 276  28.206   6.719   2.193
  221    HA   LYS 276           HA       LYS 276  26.479   4.345   2.464
  222   1HB   LYS 276          1HB       LYS 276  28.729   3.814   3.009
  223   2HB   LYS 276          2HB       LYS 276  28.924   5.286   3.962
  224   1HG   LYS 276          1HG       LYS 276  27.762   4.438   5.768
  225   2HG   LYS 276          2HG       LYS 276  26.755   3.394   4.764
  226   1HD   LYS 276          1HD       LYS 276  28.376   2.083   6.108
  227   2HD   LYS 276          2HD       LYS 276  28.660   1.895   4.377
  228   1HE   LYS 276          1HE       LYS 276  30.668   2.969   4.459
  229   2HE   LYS 276          2HE       LYS 276  30.100   4.147   5.642
  230   1HZ   LYS 276          1HZ       LYS 276  30.357   1.393   6.552
  231   2HZ   LYS 276          2HZ       LYS 276  30.692   2.844   7.369
  232   3HZ   LYS 276          3HZ       LYS 276  31.803   2.223   6.244
  233   1HN   NH2 277          1HN       NH2 277  27.618   6.762   4.881
  234   2HN   NH2 277          2HN       NH2 277  26.066   7.044   5.535
  Start of MODEL   27
    1   1H    HIS 250          1H        HIS 250  31.768 -12.571   0.331
    2   2H    HIS 250          2H        HIS 250  33.235 -12.294   1.141
    3   3H    HIS 250          3H        HIS 250  33.239 -12.928  -0.434
    4    HA   HIS 250           HA       HIS 250  33.197 -10.927  -1.345
    5   1HB   HIS 250          1HB       HIS 250  30.749 -10.943  -0.957
    6   2HB   HIS 250          2HB       HIS 250  31.008 -10.252   0.645
    7    HD2  HIS 250           HD2      HIS 250  32.554  -9.038  -2.830
    8    HE1  HIS 250           HE1      HIS 250  30.678  -5.776  -0.917
    9    HE2  HIS 250           HE2      HIS 250  32.036  -6.481  -2.945
   10    H    ILE 251           H        ILE 251  34.671 -11.653   1.202
   11    HA   ILE 251           HA       ILE 251  35.159  -8.962   2.296
   12    HB   ILE 251           HB       ILE 251  36.244 -11.583   3.336
   13   1HG1  ILE 251          1HG1      ILE 251  34.219 -10.822   5.045
   14   2HG1  ILE 251          2HG1      ILE 251  33.533 -10.436   3.466
   15   1HG2  ILE 251          1HG2      ILE 251  35.814  -8.848   4.577
   16   2HG2  ILE 251          2HG2      ILE 251  37.368  -9.546   4.124
   17   3HG2  ILE 251          3HG2      ILE 251  36.425 -10.265   5.431
   18   1HD1  ILE 251          1HD1      ILE 251  34.119 -12.734   2.689
   19   2HD1  ILE 251          2HD1      ILE 251  32.980 -12.744   4.036
   20   3HD1  ILE 251          3HD1      ILE 251  34.683 -13.110   4.317
   21    H    ASN 252           H        ASN 252  36.707 -11.658   0.645
   22    HA   ASN 252           HA       ASN 252  39.374 -10.732   0.802
   23   1HB   ASN 252          1HB       ASN 252  37.925 -12.571  -1.093
   24   2HB   ASN 252          2HB       ASN 252  39.626 -12.167  -1.324
   25   1HD2  ASN 252          1HD2      ASN 252  37.917 -12.634   1.797
   26   2HD2  ASN 252          2HD2      ASN 252  38.861 -13.956   2.288
   27    H    GLU 253           H        GLU 253  36.698  -9.481  -0.831
   28    HA   GLU 253           HA       GLU 253  38.178  -8.334  -3.054
   29   1HB   GLU 253          1HB       GLU 253  35.335  -7.887  -2.108
   30   2HB   GLU 253          2HB       GLU 253  36.023  -7.253  -3.603
   31   1HG   GLU 253          1HG       GLU 253  36.125 -10.202  -3.000
   32   2HG   GLU 253          2HG       GLU 253  34.684  -9.480  -3.714
   33    H    LEU 254           H        LEU 254  36.443  -7.093  -0.192
   34    HA   LEU 254           HA       LEU 254  37.357  -4.407  -0.546
   35   1HB   LEU 254          1HB       LEU 254  35.932  -5.919   1.610
   36   2HB   LEU 254          2HB       LEU 254  36.634  -4.346   1.992
   37    HG   LEU 254           HG       LEU 254  35.385  -3.311   0.158
   38   1HD1  LEU 254          1HD1      LEU 254  33.530  -4.940  -0.816
   39   2HD1  LEU 254          2HD1      LEU 254  34.724  -6.177  -0.419
   40   3HD1  LEU 254          3HD1      LEU 254  35.138  -4.878  -1.537
   41   1HD2  LEU 254          1HD2      LEU 254  33.080  -3.671   1.045
   42   2HD2  LEU 254          2HD2      LEU 254  34.266  -3.450   2.332
   43   3HD2  LEU 254          3HD2      LEU 254  33.672  -5.066   1.948
   44    H    LEU 255           H        LEU 255  39.051  -7.103   0.194
   45    HA   LEU 255           HA       LEU 255  40.718  -6.032   2.313
   46   1HB   LEU 255          1HB       LEU 255  40.129  -8.531   1.822
   47   2HB   LEU 255          2HB       LEU 255  41.440  -8.421   0.646
   48    HG   LEU 255           HG       LEU 255  42.679  -7.277   2.731
   49   1HD1  LEU 255          1HD1      LEU 255  40.961  -9.362   4.081
   50   2HD1  LEU 255          2HD1      LEU 255  40.508  -7.657   4.074
   51   3HD1  LEU 255          3HD1      LEU 255  42.020  -8.165   4.828
   52   1HD2  LEU 255          1HD2      LEU 255  43.559  -9.195   1.540
   53   2HD2  LEU 255          2HD2      LEU 255  42.312 -10.244   2.216
   54   3HD2  LEU 255          3HD2      LEU 255  43.567  -9.580   3.262
   55    H    HIS 256           H        HIS 256  40.466  -5.456  -0.938
   56    HA   HIS 256           HA       HIS 256  43.302  -5.285  -1.539
   57   1HB   HIS 256          1HB       HIS 256  42.667  -4.994  -3.709
   58   2HB   HIS 256          2HB       HIS 256  41.162  -5.698  -3.117
   59    HD2  HIS 256           HD2      HIS 256  39.042  -3.801  -2.706
   60    HE1  HIS 256           HE1      HIS 256  41.023  -0.604  -4.619
   61    HE2  HIS 256           HE2      HIS 256  38.800  -1.386  -3.673
   62    H    ILE 257           H        ILE 257  40.607  -3.057  -0.931
   63    HA   ILE 257           HA       ILE 257  42.230  -0.703  -1.195
   64    HB   ILE 257           HB       ILE 257  39.643  -0.985  -1.456
   65   1HG1  ILE 257          1HG1      ILE 257  39.485   1.438  -0.340
   66   2HG1  ILE 257          2HG1      ILE 257  41.239   1.263  -0.307
   67   1HG2  ILE 257          1HG2      ILE 257  39.703  -0.166   1.442
   68   2HG2  ILE 257          2HG2      ILE 257  39.595  -1.869   0.997
   69   3HG2  ILE 257          3HG2      ILE 257  38.338  -0.743   0.484
   70   1HD1  ILE 257          1HD1      ILE 257  40.507   2.345  -2.399
   71   2HD1  ILE 257          2HD1      ILE 257  39.484   0.954  -2.762
   72   3HD1  ILE 257          3HD1      ILE 257  41.238   0.773  -2.727
   73    H    LEU 258           H        LEU 258  42.219  -3.078   1.063
   74    HA   LEU 258           HA       LEU 258  42.514  -1.357   3.407
   75   1HB   LEU 258          1HB       LEU 258  41.672  -4.007   3.009
   76   2HB   LEU 258          2HB       LEU 258  43.216  -4.125   3.852
   77    HG   LEU 258           HG       LEU 258  42.366  -2.418   5.497
   78   1HD1  LEU 258          1HD1      LEU 258  40.420  -1.351   5.117
   79   2HD1  LEU 258          2HD1      LEU 258  39.564  -2.887   4.985
   80   3HD1  LEU 258          3HD1      LEU 258  40.318  -2.172   3.560
   81   1HD2  LEU 258          1HD2      LEU 258  41.987  -4.313   6.661
   82   2HD2  LEU 258          2HD2      LEU 258  41.599  -5.193   5.183
   83   3HD2  LEU 258          3HD2      LEU 258  40.338  -4.304   6.036
   84    H    VAL 259           H        VAL 259  44.437  -2.276   0.894
   85    HA   VAL 259           HA       VAL 259  46.871  -2.711   2.446
   86    HB   VAL 259           HB       VAL 259  46.472  -2.516  -0.549
   87   1HG1  VAL 259          1HG1      VAL 259  48.716  -4.083   0.167
   88   2HG1  VAL 259          2HG1      VAL 259  48.815  -2.612   1.135
   89   3HG1  VAL 259          3HG1      VAL 259  48.722  -2.507  -0.623
   90   1HG2  VAL 259          1HG2      VAL 259  46.990  -5.109  -0.102
   91   2HG2  VAL 259          2HG2      VAL 259  45.345  -4.473  -0.068
   92   3HG2  VAL 259          3HG2      VAL 259  46.222  -4.730   1.440
   93    H    PHE 260           H        PHE 260  46.392  -0.671  -0.422
   94    HA   PHE 260           HA       PHE 260  48.248   1.288   0.589
   95   1HB   PHE 260          1HB       PHE 260  48.078   2.314  -1.517
   96   2HB   PHE 260          2HB       PHE 260  47.846   0.602  -1.871
   97    HD1  PHE 260           HD1      PHE 260  45.650  -0.284  -2.467
   98    HD2  PHE 260           HD2      PHE 260  46.199   3.883  -1.585
   99    HE1  PHE 260           HE1      PHE 260  43.422   0.214  -3.434
  100    HE2  PHE 260           HE2      PHE 260  43.971   4.382  -2.552
  101    HZ   PHE 260           HZ       PHE 260  42.582   2.547  -3.476
  102    H    GLY 261           H        GLY 261  45.105   0.688   1.332
  103   1HA   GLY 261          1HA       GLY 261  43.931   3.280   1.248
  104   2HA   GLY 261          2HA       GLY 261  43.377   1.925   2.225
  105    H    GLU 262           H        GLU 262  46.545   3.519   2.285
  106    HA   GLU 262           HA       GLU 262  46.226   3.947   5.166
  107   1HB   GLU 262          1HB       GLU 262  48.638   4.226   3.356
  108   2HB   GLU 262          2HB       GLU 262  48.651   4.461   5.104
  109   1HG   GLU 262          1HG       GLU 262  47.364   1.974   4.596
  110   2HG   GLU 262          2HG       GLU 262  48.844   2.004   3.638
  111    H    SER 263           H        SER 263  47.904   5.891   2.707
  112    HA   SER 263           HA       SER 263  47.122   8.334   4.035
  113   1HB   SER 263          1HB       SER 263  49.329   7.760   2.705
  114   2HB   SER 263          2HB       SER 263  48.381   8.301   1.322
  115    HG   SER 263           HG       SER 263  48.440  10.282   2.061
  116    H    LEU 264           H        LEU 264  46.430   6.768   0.924
  117    HA   LEU 264           HA       LEU 264  44.636   8.813   0.033
  118   1HB   LEU 264          1HB       LEU 264  44.552   5.964  -0.927
  119   2HB   LEU 264          2HB       LEU 264  44.254   7.447  -1.834
  120    HG   LEU 264           HG       LEU 264  46.921   6.469  -0.779
  121   1HD1  LEU 264          1HD1      LEU 264  46.810   7.170  -3.574
  122   2HD1  LEU 264          2HD1      LEU 264  45.526   6.021  -3.201
  123   3HD1  LEU 264          3HD1      LEU 264  47.205   5.614  -2.842
  124   1HD2  LEU 264          1HD2      LEU 264  46.982   8.828  -0.510
  125   2HD2  LEU 264          2HD2      LEU 264  46.058   9.101  -1.988
  126   3HD2  LEU 264          3HD2      LEU 264  47.730   8.545  -2.082
  127    H    LEU 265           H        LEU 265  44.397   6.740   2.539
  128    HA   LEU 265           HA       LEU 265  42.065   5.380   2.547
  129   1HB   LEU 265          1HB       LEU 265  43.471   5.536   4.527
  130   2HB   LEU 265          2HB       LEU 265  43.075   7.242   4.714
  131    HG   LEU 265           HG       LEU 265  40.739   6.697   5.158
  132   1HD1  LEU 265          1HD1      LEU 265  40.205   4.822   3.865
  133   2HD1  LEU 265          2HD1      LEU 265  40.303   4.123   5.481
  134   3HD1  LEU 265          3HD1      LEU 265  41.653   3.945   4.360
  135   1HD2  LEU 265          1HD2      LEU 265  42.879   6.124   6.825
  136   2HD2  LEU 265          2HD2      LEU 265  41.903   4.657   6.911
  137   3HD2  LEU 265          3HD2      LEU 265  41.189   6.217   7.324
  138    H    ASN 266           H        ASN 266  42.382   8.894   2.867
  139    HA   ASN 266           HA       ASN 266  39.658   9.478   3.298
  140   1HB   ASN 266          1HB       ASN 266  41.313  11.388   1.728
  141   2HB   ASN 266          2HB       ASN 266  40.274  11.679   3.122
  142   1HD2  ASN 266          1HD2      ASN 266  43.441  10.248   2.215
  143   2HD2  ASN 266          2HD2      ASN 266  44.157  10.498   3.733
  144    H    ASP 267           H        ASP 267  41.573   9.266   0.316
  145    HA   ASP 267           HA       ASP 267  39.185   9.710  -1.312
  146   1HB   ASP 267          1HB       ASP 267  42.128   9.587  -1.827
  147   2HB   ASP 267          2HB       ASP 267  41.021   9.261  -3.160
  148    H    ALA 268           H        ALA 268  40.511   7.151   0.264
  149    HA   ALA 268           HA       ALA 268  40.191   5.150  -1.817
  150   1HB   ALA 268          1HB       ALA 268  41.096   3.637  -0.304
  151   2HB   ALA 268          2HB       ALA 268  40.451   4.494   1.095
  152   3HB   ALA 268          3HB       ALA 268  41.839   5.146   0.226
  153    H    VAL 269           H        VAL 269  38.724   5.567   1.417
  154    HA   VAL 269           HA       VAL 269  36.637   3.783   1.162
  155    HB   VAL 269           HB       VAL 269  36.694   6.446   2.598
  156   1HG1  VAL 269          1HG1      VAL 269  34.889   5.062   3.979
  157   2HG1  VAL 269          2HG1      VAL 269  34.637   4.279   2.419
  158   3HG1  VAL 269          3HG1      VAL 269  34.416   6.021   2.577
  159   1HG2  VAL 269          1HG2      VAL 269  37.812   5.355   4.236
  160   2HG2  VAL 269          2HG2      VAL 269  38.105   4.088   3.044
  161   3HG2  VAL 269          3HG2      VAL 269  36.733   3.963   4.144
  162    H    THR 270           H        THR 270  37.163   6.578  -0.661
  163    HA   THR 270           HA       THR 270  34.371   7.135  -1.230
  164    HB   THR 270           HB       THR 270  36.783   8.184  -2.712
  165    HG1  THR 270           HG1      THR 270  35.520   9.238  -0.403
  166   1HG2  THR 270          1HG2      THR 270  34.136   9.523  -2.150
  167   2HG2  THR 270          2HG2      THR 270  34.377   8.489  -3.559
  168   3HG2  THR 270          3HG2      THR 270  35.341   9.953  -3.364
  169    H    VAL 271           H        VAL 271  37.174   5.811  -2.983
  170    HA   VAL 271           HA       VAL 271  35.855   5.282  -5.410
  171    HB   VAL 271           HB       VAL 271  38.171   3.777  -4.170
  172   1HG1  VAL 271          1HG1      VAL 271  38.693   3.449  -6.667
  173   2HG1  VAL 271          2HG1      VAL 271  37.026   3.945  -6.961
  174   3HG1  VAL 271          3HG1      VAL 271  37.361   2.500  -6.005
  175   1HG2  VAL 271          1HG2      VAL 271  38.989   5.567  -6.209
  176   2HG2  VAL 271          2HG2      VAL 271  39.338   5.679  -4.483
  177   3HG2  VAL 271          3HG2      VAL 271  37.915   6.479  -5.149
  178    H    VAL 272           H        VAL 272  35.833   3.619  -2.362
  179    HA   VAL 272           HA       VAL 272  34.591   1.240  -3.535
  180    HB   VAL 272           HB       VAL 272  34.995   1.649  -0.591
  181   1HG1  VAL 272          1HG1      VAL 272  35.393  -0.781  -0.695
  182   2HG1  VAL 272          2HG1      VAL 272  35.243  -0.736  -2.451
  183   3HG1  VAL 272          3HG1      VAL 272  33.847  -0.372  -1.439
  184   1HG2  VAL 272          1HG2      VAL 272  37.303   0.449  -1.258
  185   2HG2  VAL 272          2HG2      VAL 272  37.167   2.204  -1.145
  186   3HG2  VAL 272          3HG2      VAL 272  37.077   1.412  -2.718
  187    H    LEU 273           H        LEU 273  33.556   4.212  -2.706
  188    HA   LEU 273           HA       LEU 273  31.132   3.403  -1.292
  189   1HB   LEU 273          1HB       LEU 273  32.503   5.561  -0.867
  190   2HB   LEU 273          2HB       LEU 273  31.701   6.174  -2.312
  191    HG   LEU 273           HG       LEU 273  29.537   5.227  -1.085
  192   1HD1  LEU 273          1HD1      LEU 273  29.647   5.132   1.241
  193   2HD1  LEU 273          2HD1      LEU 273  31.089   6.145   1.314
  194   3HD1  LEU 273          3HD1      LEU 273  31.219   4.463   0.801
  195   1HD2  LEU 273          1HD2      LEU 273  29.549   7.567   0.167
  196   2HD2  LEU 273          2HD2      LEU 273  29.480   7.495  -1.593
  197   3HD2  LEU 273          3HD2      LEU 273  31.013   7.820  -0.784
  198    H    TYR 274           H        TYR 274  31.639   5.550  -4.094
  199    HA   TYR 274           HA       TYR 274  29.079   4.672  -5.196
  200   1HB   TYR 274          1HB       TYR 274  29.138   6.587  -6.537
  201   2HB   TYR 274          2HB       TYR 274  29.931   7.119  -5.053
  202    HD1  TYR 274           HD1      TYR 274  30.248   6.790  -8.595
  203    HD2  TYR 274           HD2      TYR 274  32.521   6.873  -4.952
  204    HE1  TYR 274           HE1      TYR 274  32.294   7.341  -9.883
  205    HE2  TYR 274           HE2      TYR 274  34.566   7.424  -6.240
  206    HH   TYR 274           HH       TYR 274  34.510   7.590  -9.794
  207    H    LYS 275           H        LYS 275  32.524   4.571  -5.964
  208    HA   LYS 275           HA       LYS 275  32.164   3.449  -8.579
  209   1HB   LYS 275          1HB       LYS 275  34.351   4.363  -6.954
  210   2HB   LYS 275          2HB       LYS 275  34.727   2.761  -7.593
  211   1HG   LYS 275          1HG       LYS 275  33.704   5.061  -9.288
  212   2HG   LYS 275          2HG       LYS 275  35.410   4.648  -9.116
  213   1HD   LYS 275          1HD       LYS 275  35.226   2.966 -10.602
  214   2HD   LYS 275          2HD       LYS 275  33.836   2.294  -9.753
  215   1HE   LYS 275          1HE       LYS 275  33.221   2.945 -12.049
  216   2HE   LYS 275          2HE       LYS 275  32.362   3.933 -10.867
  217   1HZ   LYS 275          1HZ       LYS 275  34.928   4.787 -12.068
  218   2HZ   LYS 275          2HZ       LYS 275  33.787   5.733 -11.237
  219   3HZ   LYS 275          3HZ       LYS 275  33.434   5.141 -12.790
  220    H    LYS 276           H        LYS 276  31.452   2.192  -5.652
  221    HA   LYS 276           HA       LYS 276  32.483  -0.499  -6.127
  222   1HB   LYS 276          1HB       LYS 276  32.554   0.079  -3.845
  223   2HB   LYS 276          2HB       LYS 276  30.947   0.806  -3.888
  224   1HG   LYS 276          1HG       LYS 276  29.863  -1.255  -3.868
  225   2HG   LYS 276          2HG       LYS 276  31.246  -2.105  -4.559
  226   1HD   LYS 276          1HD       LYS 276  31.585  -0.822  -1.879
  227   2HD   LYS 276          2HD       LYS 276  30.657  -2.321  -1.972
  228   1HE   LYS 276          1HE       LYS 276  33.397  -2.015  -3.218
  229   2HE   LYS 276          2HE       LYS 276  33.156  -2.610  -1.575
  230   1HZ   LYS 276          1HZ       LYS 276  31.502  -3.868  -3.586
  231   2HZ   LYS 276          2HZ       LYS 276  32.375  -4.562  -2.304
  232   3HZ   LYS 276          3HZ       LYS 276  33.163  -4.163  -3.755
  233   1HN   NH2 277          1HN       NH2 277  29.203   0.935  -5.623
  234   2HN   NH2 277          2HN       NH2 277  28.400  -0.233  -6.574
  Start of MODEL   28
    1   1H    HIS 250          1H        HIS 250  31.694  -8.411   6.148
    2   2H    HIS 250          2H        HIS 250  31.557  -9.720   7.222
    3   3H    HIS 250          3H        HIS 250  31.851  -9.998   5.572
    4    HA   HIS 250           HA       HIS 250  33.699  -9.488   7.675
    5   1HB   HIS 250          1HB       HIS 250  33.467 -10.977   5.272
    6   2HB   HIS 250          2HB       HIS 250  34.867  -9.921   5.079
    7    HD2  HIS 250           HD2      HIS 250  36.123 -10.016   8.086
    8    HE1  HIS 250           HE1      HIS 250  35.972 -14.217   7.693
    9    HE2  HIS 250           HE2      HIS 250  36.996 -12.299   9.006
   10    H    ILE 251           H        ILE 251  35.819  -8.357   7.055
   11    HA   ILE 251           HA       ILE 251  35.425  -5.978   5.400
   12    HB   ILE 251           HB       ILE 251  35.938  -4.405   7.091
   13   1HG1  ILE 251          1HG1      ILE 251  37.719  -5.524   8.287
   14   2HG1  ILE 251          2HG1      ILE 251  36.453  -5.155   9.451
   15   1HG2  ILE 251          1HG2      ILE 251  33.616  -5.325   7.138
   16   2HG2  ILE 251          2HG2      ILE 251  34.149  -4.720   8.707
   17   3HG2  ILE 251          3HG2      ILE 251  34.125  -6.455   8.393
   18   1HD1  ILE 251          1HD1      ILE 251  37.130  -7.824   8.218
   19   2HD1  ILE 251          2HD1      ILE 251  35.560  -7.529   8.967
   20   3HD1  ILE 251          3HD1      ILE 251  37.033  -7.396   9.924
   21    H    ASN 252           H        ASN 252  37.176  -8.558   5.884
   22    HA   ASN 252           HA       ASN 252  39.835  -7.349   5.920
   23   1HB   ASN 252          1HB       ASN 252  40.433  -9.333   6.764
   24   2HB   ASN 252          2HB       ASN 252  38.758  -9.869   6.636
   25   1HD2  ASN 252          1HD2      ASN 252  38.114 -10.832   4.468
   26   2HD2  ASN 252          2HD2      ASN 252  39.300 -11.647   3.567
   27    H    GLU 253           H        GLU 253  37.779  -9.246   3.738
   28    HA   GLU 253           HA       GLU 253  39.326  -9.699   1.567
   29   1HB   GLU 253          1HB       GLU 253  37.111  -8.698   0.316
   30   2HB   GLU 253          2HB       GLU 253  37.228 -10.324   0.988
   31   1HG   GLU 253          1HG       GLU 253  36.101  -9.701   2.977
   32   2HG   GLU 253          2HG       GLU 253  36.349  -7.981   2.678
   33    H    LEU 254           H        LEU 254  37.888  -6.587   2.425
   34    HA   LEU 254           HA       LEU 254  38.686  -5.110   0.180
   35   1HB   LEU 254          1HB       LEU 254  38.554  -3.956   2.960
   36   2HB   LEU 254          2HB       LEU 254  38.146  -3.184   1.430
   37    HG   LEU 254           HG       LEU 254  36.620  -5.389   2.835
   38   1HD1  LEU 254          1HD1      LEU 254  35.969  -2.542   2.027
   39   2HD1  LEU 254          2HD1      LEU 254  36.109  -3.174   3.667
   40   3HD1  LEU 254          3HD1      LEU 254  34.775  -3.688   2.634
   41   1HD2  LEU 254          1HD2      LEU 254  35.053  -5.035   0.798
   42   2HD2  LEU 254          2HD2      LEU 254  36.499  -6.016   0.556
   43   3HD2  LEU 254          3HD2      LEU 254  36.469  -4.340   0.009
   44    H    LEU 255           H        LEU 255  40.691  -6.748   2.155
   45    HA   LEU 255           HA       LEU 255  42.738  -5.324   3.116
   46   1HB   LEU 255          1HB       LEU 255  42.440  -7.928   2.302
   47   2HB   LEU 255          2HB       LEU 255  43.707  -7.355   1.221
   48    HG   LEU 255           HG       LEU 255  44.739  -8.267   3.222
   49   1HD1  LEU 255          1HD1      LEU 255  44.968  -5.343   3.773
   50   2HD1  LEU 255          2HD1      LEU 255  45.394  -5.906   2.157
   51   3HD1  LEU 255          3HD1      LEU 255  46.232  -6.553   3.564
   52   1HD2  LEU 255          1HD2      LEU 255  43.864  -6.326   5.176
   53   2HD2  LEU 255          2HD2      LEU 255  43.792  -8.086   5.256
   54   3HD2  LEU 255          3HD2      LEU 255  42.470  -7.183   4.516
   55    H    HIS 256           H        HIS 256  42.234  -5.924  -0.347
   56    HA   HIS 256           HA       HIS 256  44.505  -4.689  -1.362
   57   1HB   HIS 256          1HB       HIS 256  41.718  -5.047  -2.425
   58   2HB   HIS 256          2HB       HIS 256  42.926  -4.158  -3.355
   59    HD2  HIS 256           HD2      HIS 256  44.524  -7.041  -1.395
   60    HE1  HIS 256           HE1      HIS 256  43.868  -8.496  -5.304
   61    HE2  HIS 256           HE2      HIS 256  45.015  -8.969  -3.088
   62    H    ILE 257           H        ILE 257  41.306  -3.135  -1.479
   63    HA   ILE 257           HA       ILE 257  42.315  -0.536  -1.824
   64    HB   ILE 257           HB       ILE 257  39.912  -1.562  -2.176
   65   1HG1  ILE 257          1HG1      ILE 257  39.042   0.894  -1.767
   66   2HG1  ILE 257          2HG1      ILE 257  40.744   1.232  -1.460
   67   1HG2  ILE 257          1HG2      ILE 257  39.782  -1.877   0.401
   68   2HG2  ILE 257          2HG2      ILE 257  38.376  -1.212  -0.428
   69   3HG2  ILE 257          3HG2      ILE 257  39.473  -0.141   0.446
   70   1HD1  ILE 257          1HD1      ILE 257  40.758   1.554  -3.734
   71   2HD1  ILE 257          2HD1      ILE 257  39.392   0.469  -4.000
   72   3HD1  ILE 257          3HD1      ILE 257  41.004  -0.192  -3.729
   73    H    LEU 258           H        LEU 258  42.826  -2.360   0.801
   74    HA   LEU 258           HA       LEU 258  42.247  -0.334   2.821
   75   1HB   LEU 258          1HB       LEU 258  42.242  -3.067   2.890
   76   2HB   LEU 258          2HB       LEU 258  43.798  -2.694   3.628
   77    HG   LEU 258           HG       LEU 258  41.111  -1.563   4.469
   78   1HD1  LEU 258          1HD1      LEU 258  43.003  -3.471   5.875
   79   2HD1  LEU 258          2HD1      LEU 258  41.491  -3.936   5.096
   80   3HD1  LEU 258          3HD1      LEU 258  41.467  -2.879   6.508
   81   1HD2  LEU 258          1HD2      LEU 258  43.943  -0.904   5.149
   82   2HD2  LEU 258          2HD2      LEU 258  42.779  -0.921   6.474
   83   3HD2  LEU 258          3HD2      LEU 258  42.529   0.148   5.095
   84    H    VAL 259           H        VAL 259  45.147  -2.194   1.825
   85    HA   VAL 259           HA       VAL 259  46.851  -0.220   3.127
   86    HB   VAL 259           HB       VAL 259  48.679  -1.753   2.593
   87   1HG1  VAL 259          1HG1      VAL 259  48.097  -3.238   4.233
   88   2HG1  VAL 259          2HG1      VAL 259  46.572  -3.659   3.453
   89   3HG1  VAL 259          3HG1      VAL 259  46.699  -2.175   4.397
   90   1HG2  VAL 259          1HG2      VAL 259  48.075  -3.929   1.461
   91   2HG2  VAL 259          2HG2      VAL 259  47.993  -2.519   0.403
   92   3HG2  VAL 259          3HG2      VAL 259  46.512  -3.218   1.059
   93    H    PHE 260           H        PHE 260  46.068  -1.255  -0.166
   94    HA   PHE 260           HA       PHE 260  48.079  -0.122  -1.635
   95   1HB   PHE 260          1HB       PHE 260  46.667  -0.221  -3.434
   96   2HB   PHE 260          2HB       PHE 260  45.717  -1.188  -2.310
   97    HD1  PHE 260           HD1      PHE 260  44.502   0.656  -0.494
   98    HD2  PHE 260           HD2      PHE 260  45.255   1.149  -4.695
   99    HE1  PHE 260           HE1      PHE 260  42.657   2.305  -0.632
  100    HE2  PHE 260           HE2      PHE 260  43.407   2.794  -4.833
  101    HZ   PHE 260           HZ       PHE 260  42.106   3.371  -2.802
  102    H    GLY 261           H        GLY 261  45.917   1.468   0.469
  103   1HA   GLY 261          1HA       GLY 261  47.197   4.024  -0.031
  104   2HA   GLY 261          2HA       GLY 261  45.471   3.974  -0.378
  105    H    GLU 262           H        GLU 262  47.152   2.209   2.191
  106    HA   GLU 262           HA       GLU 262  45.388   2.527   4.219
  107   1HB   GLU 262          1HB       GLU 262  47.600   2.764   5.695
  108   2HB   GLU 262          2HB       GLU 262  47.167   1.250   4.905
  109   1HG   GLU 262          1HG       GLU 262  48.770   1.499   3.244
  110   2HG   GLU 262          2HG       GLU 262  48.783   3.257   3.375
  111    H    SER 263           H        SER 263  47.733   4.944   3.145
  112    HA   SER 263           HA       SER 263  46.860   6.814   5.216
  113   1HB   SER 263          1HB       SER 263  49.282   6.414   3.990
  114   2HB   SER 263          2HB       SER 263  48.659   7.814   3.121
  115    HG   SER 263           HG       SER 263  48.273   8.779   5.179
  116    H    LEU 264           H        LEU 264  46.223   6.056   1.920
  117    HA   LEU 264           HA       LEU 264  45.047   8.689   1.387
  118   1HB   LEU 264          1HB       LEU 264  45.680   6.289  -0.302
  119   2HB   LEU 264          2HB       LEU 264  44.552   7.514  -0.880
  120    HG   LEU 264           HG       LEU 264  47.140   8.458   0.267
  121   1HD1  LEU 264          1HD1      LEU 264  46.820   6.995  -2.354
  122   2HD1  LEU 264          2HD1      LEU 264  48.054   6.766  -1.115
  123   3HD1  LEU 264          3HD1      LEU 264  48.078   8.209  -2.129
  124   1HD2  LEU 264          1HD2      LEU 264  45.613   9.299  -2.213
  125   2HD2  LEU 264          2HD2      LEU 264  46.829  10.226  -1.335
  126   3HD2  LEU 264          3HD2      LEU 264  45.252   9.926  -0.604
  127    H    LEU 265           H        LEU 265  44.072   6.137   3.061
  128    HA   LEU 265           HA       LEU 265  41.730   5.119   2.128
  129   1HB   LEU 265          1HB       LEU 265  41.042   4.775   4.386
  130   2HB   LEU 265          2HB       LEU 265  42.799   4.668   4.371
  131    HG   LEU 265           HG       LEU 265  41.157   7.079   5.228
  132   1HD1  LEU 265          1HD1      LEU 265  41.478   4.936   6.712
  133   2HD1  LEU 265          2HD1      LEU 265  41.720   6.533   7.418
  134   3HD1  LEU 265          3HD1      LEU 265  43.111   5.565   6.928
  135   1HD2  LEU 265          1HD2      LEU 265  43.117   8.004   4.283
  136   2HD2  LEU 265          2HD2      LEU 265  44.114   6.650   4.807
  137   3HD2  LEU 265          3HD2      LEU 265  43.533   7.823   5.986
  138    H    ASN 266           H        ASN 266  42.362   8.419   2.688
  139    HA   ASN 266           HA       ASN 266  39.756   9.348   3.301
  140   1HB   ASN 266          1HB       ASN 266  40.597  11.502   2.924
  141   2HB   ASN 266          2HB       ASN 266  42.023  10.593   3.422
  142   1HD2  ASN 266          1HD2      ASN 266  43.477   9.804   1.626
  143   2HD2  ASN 266          2HD2      ASN 266  43.525  10.677   0.171
  144    H    ASP 267           H        ASP 267  41.494   8.975   0.221
  145    HA   ASP 267           HA       ASP 267  39.095   9.725  -1.271
  146   1HB   ASP 267          1HB       ASP 267  41.561  10.368  -1.840
  147   2HB   ASP 267          2HB       ASP 267  41.639   8.747  -2.528
  148    H    ALA 268           H        ALA 268  40.344   6.963   0.111
  149    HA   ALA 268           HA       ALA 268  39.443   5.130  -1.979
  150   1HB   ALA 268          1HB       ALA 268  40.214   4.077   0.674
  151   2HB   ALA 268          2HB       ALA 268  41.477   4.944  -0.201
  152   3HB   ALA 268          3HB       ALA 268  40.694   3.544  -0.936
  153    H    VAL 269           H        VAL 269  38.605   6.053   1.342
  154    HA   VAL 269           HA       VAL 269  36.651   4.302   2.028
  155    HB   VAL 269           HB       VAL 269  37.284   6.201   3.438
  156   1HG1  VAL 269          1HG1      VAL 269  37.266   8.309   2.648
  157   2HG1  VAL 269          2HG1      VAL 269  35.543   8.195   2.285
  158   3HG1  VAL 269          3HG1      VAL 269  36.732   7.677   1.089
  159   1HG2  VAL 269          1HG2      VAL 269  35.014   5.027   3.629
  160   2HG2  VAL 269          2HG2      VAL 269  34.334   6.425   2.797
  161   3HG2  VAL 269          3HG2      VAL 269  35.121   6.627   4.362
  162    H    THR 270           H        THR 270  36.549   6.580  -0.582
  163    HA   THR 270           HA       THR 270  33.671   6.246  -0.972
  164    HB   THR 270           HB       THR 270  35.648   7.767  -2.683
  165    HG1  THR 270           HG1      THR 270  35.732   8.905  -0.897
  166   1HG2  THR 270          1HG2      THR 270  33.636   8.945  -3.448
  167   2HG2  THR 270          2HG2      THR 270  32.638   7.960  -2.377
  168   3HG2  THR 270          3HG2      THR 270  33.478   7.213  -3.738
  169    H    VAL 271           H        VAL 271  36.726   5.478  -2.604
  170    HA   VAL 271           HA       VAL 271  35.765   4.354  -4.947
  171    HB   VAL 271           HB       VAL 271  38.131   3.446  -3.292
  172   1HG1  VAL 271          1HG1      VAL 271  37.646   1.752  -4.917
  173   2HG1  VAL 271          2HG1      VAL 271  38.956   2.722  -5.591
  174   3HG1  VAL 271          3HG1      VAL 271  37.304   2.954  -6.162
  175   1HG2  VAL 271          1HG2      VAL 271  39.395   5.070  -4.422
  176   2HG2  VAL 271          2HG2      VAL 271  37.879   5.918  -4.121
  177   3HG2  VAL 271          3HG2      VAL 271  38.206   5.235  -5.713
  178    H    VAL 272           H        VAL 272  35.915   2.967  -1.715
  179    HA   VAL 272           HA       VAL 272  34.896   0.413  -2.731
  180    HB   VAL 272           HB       VAL 272  36.763   0.340  -1.133
  181   1HG1  VAL 272          1HG1      VAL 272  34.804   1.566   0.828
  182   2HG1  VAL 272          2HG1      VAL 272  36.119   2.453   0.059
  183   3HG1  VAL 272          3HG1      VAL 272  36.477   1.115   1.150
  184   1HG2  VAL 272          1HG2      VAL 272  34.524  -0.648   0.546
  185   2HG2  VAL 272          2HG2      VAL 272  35.927  -1.514  -0.082
  186   3HG2  VAL 272          3HG2      VAL 272  34.532  -1.223  -1.121
  187    H    LEU 273           H        LEU 273  33.548   3.266  -1.939
  188    HA   LEU 273           HA       LEU 273  31.446   2.327  -0.183
  189   1HB   LEU 273          1HB       LEU 273  32.236   4.646  -0.036
  190   2HB   LEU 273          2HB       LEU 273  31.744   4.932  -1.702
  191    HG   LEU 273           HG       LEU 273  29.391   4.467  -1.086
  192   1HD1  LEU 273          1HD1      LEU 273  29.083   4.519   1.551
  193   2HD1  LEU 273          2HD1      LEU 273  30.698   3.810   1.527
  194   3HD1  LEU 273          3HD1      LEU 273  29.366   2.996   0.707
  195   1HD2  LEU 273          1HD2      LEU 273  29.990   6.769  -0.975
  196   2HD2  LEU 273          2HD2      LEU 273  30.904   6.536   0.515
  197   3HD2  LEU 273          3HD2      LEU 273  29.143   6.440   0.537
  198    H    TYR 274           H        TYR 274  30.755   4.242  -3.046
  199    HA   TYR 274           HA       TYR 274  28.671   2.313  -3.772
  200   1HB   TYR 274          1HB       TYR 274  27.566   4.051  -4.818
  201   2HB   TYR 274          2HB       TYR 274  28.424   4.931  -3.554
  202    HD1  TYR 274           HD1      TYR 274  30.648   6.023  -4.103
  203    HD2  TYR 274           HD2      TYR 274  28.028   4.444  -7.118
  204    HE1  TYR 274           HE1      TYR 274  31.823   7.365  -5.826
  205    HE2  TYR 274           HE2      TYR 274  29.203   5.785  -8.841
  206    HH   TYR 274           HH       TYR 274  31.839   8.010  -7.955
  207    H    LYS 275           H        LYS 275  31.749   3.473  -4.810
  208    HA   LYS 275           HA       LYS 275  31.590   2.826  -7.558
  209   1HB   LYS 275          1HB       LYS 275  33.695   3.497  -5.613
  210   2HB   LYS 275          2HB       LYS 275  34.233   2.487  -6.956
  211   1HG   LYS 275          1HG       LYS 275  32.559   4.958  -7.409
  212   2HG   LYS 275          2HG       LYS 275  34.316   5.047  -7.289
  213   1HD   LYS 275          1HD       LYS 275  34.620   4.116  -9.337
  214   2HD   LYS 275          2HD       LYS 275  33.352   2.919  -9.082
  215   1HE   LYS 275          1HE       LYS 275  31.634   4.619  -9.544
  216   2HE   LYS 275          2HE       LYS 275  32.891   5.835  -9.774
  217   1HZ   LYS 275          1HZ       LYS 275  33.725   4.658 -11.648
  218   2HZ   LYS 275          2HZ       LYS 275  32.047   4.824 -11.861
  219   3HZ   LYS 275          3HZ       LYS 275  32.700   3.337 -11.363
  220    H    LYS 276           H        LYS 276  33.369   1.045  -5.011
  221    HA   LYS 276           HA       LYS 276  32.257  -1.481  -5.775
  222   1HB   LYS 276          1HB       LYS 276  34.506  -2.429  -6.522
  223   2HB   LYS 276          2HB       LYS 276  33.672  -1.392  -7.680
  224   1HG   LYS 276          1HG       LYS 276  35.235   0.267  -7.520
  225   2HG   LYS 276          2HG       LYS 276  35.481   0.005  -5.793
  226   1HD   LYS 276          1HD       LYS 276  36.861  -1.940  -6.222
  227   2HD   LYS 276          2HD       LYS 276  36.496  -1.871  -7.946
  228   1HE   LYS 276          1HE       LYS 276  37.504   0.684  -7.055
  229   2HE   LYS 276          2HE       LYS 276  38.628  -0.596  -6.601
  230   1HZ   LYS 276          1HZ       LYS 276  38.237  -1.406  -8.996
  231   2HZ   LYS 276          2HZ       LYS 276  39.270  -0.081  -8.740
  232   3HZ   LYS 276          3HZ       LYS 276  37.679   0.170  -9.282
  233   1HN   NH2 277          1HN       NH2 277  35.595  -1.690  -4.947
  234   2HN   NH2 277          2HN       NH2 277  35.380  -1.948  -3.273
  Start of MODEL   29
    1   1H    HIS 250          1H        HIS 250  60.364  -8.274  10.243
    2   2H    HIS 250          2H        HIS 250  62.003  -7.848  10.103
    3   3H    HIS 250          3H        HIS 250  60.848  -7.142   9.076
    4    HA   HIS 250           HA       HIS 250  59.771  -6.162  11.084
    5   1HB   HIS 250          1HB       HIS 250  61.028  -7.872  12.569
    6   2HB   HIS 250          2HB       HIS 250  62.403  -6.776  12.425
    7    HD2  HIS 250           HD2      HIS 250  60.432  -3.982  12.602
    8    HE1  HIS 250           HE1      HIS 250  59.642  -5.470  16.473
    9    HE2  HIS 250           HE2      HIS 250  59.519  -3.418  14.982
   10    H    ILE 251           H        ILE 251  59.977  -4.474   9.601
   11    HA   ILE 251           HA       ILE 251  62.614  -3.170   9.411
   12    HB   ILE 251           HB       ILE 251  60.191  -2.440   7.780
   13   1HG1  ILE 251          1HG1      ILE 251  61.663  -4.059   6.136
   14   2HG1  ILE 251          2HG1      ILE 251  61.827  -4.902   7.676
   15   1HG2  ILE 251          1HG2      ILE 251  63.181  -2.326   7.270
   16   2HG2  ILE 251          2HG2      ILE 251  62.173  -0.958   7.742
   17   3HG2  ILE 251          3HG2      ILE 251  61.926  -1.738   6.179
   18   1HD1  ILE 251          1HD1      ILE 251  59.843  -5.706   6.463
   19   2HD1  ILE 251          2HD1      ILE 251  59.213  -4.059   6.389
   20   3HD1  ILE 251          3HD1      ILE 251  59.367  -4.876   7.944
   21    H    ASN 252           H        ASN 252  62.765  -0.877   9.687
   22    HA   ASN 252           HA       ASN 252  61.109   0.092  11.851
   23   1HB   ASN 252          1HB       ASN 252  62.802   1.540  12.255
   24   2HB   ASN 252          2HB       ASN 252  63.714   0.505  11.156
   25   1HD2  ASN 252          1HD2      ASN 252  62.880   1.185   8.654
   26   2HD2  ASN 252          2HD2      ASN 252  63.091   2.842   8.358
   27    H    GLU 253           H        GLU 253  61.355   0.548   8.404
   28    HA   GLU 253           HA       GLU 253  59.766   2.957   8.341
   29   1HB   GLU 253          1HB       GLU 253  59.995   2.861   5.998
   30   2HB   GLU 253          2HB       GLU 253  61.506   2.180   6.602
   31   1HG   GLU 253          1HG       GLU 253  60.201  -0.098   6.479
   32   2HG   GLU 253          2HG       GLU 253  59.168   0.775   5.348
   33    H    LEU 254           H        LEU 254  58.967  -0.085   9.165
   34    HA   LEU 254           HA       LEU 254  56.773  -0.851   7.655
   35   1HB   LEU 254          1HB       LEU 254  57.736  -1.336  10.388
   36   2HB   LEU 254          2HB       LEU 254  55.991  -1.506  10.205
   37    HG   LEU 254           HG       LEU 254  57.924  -2.795   8.272
   38   1HD1  LEU 254          1HD1      LEU 254  56.847  -3.853  10.897
   39   2HD1  LEU 254          2HD1      LEU 254  58.535  -3.706  10.411
   40   3HD1  LEU 254          3HD1      LEU 254  57.494  -4.896   9.630
   41   1HD2  LEU 254          1HD2      LEU 254  55.357  -4.069   8.931
   42   2HD2  LEU 254          2HD2      LEU 254  56.058  -3.709   7.354
   43   3HD2  LEU 254          3HD2      LEU 254  55.176  -2.460   8.232
   44    H    LEU 255           H        LEU 255  57.139   2.032   9.314
   45    HA   LEU 255           HA       LEU 255  54.291   2.363   9.905
   46   1HB   LEU 255          1HB       LEU 255  55.993   4.724  10.213
   47   2HB   LEU 255          2HB       LEU 255  54.921   3.950  11.378
   48    HG   LEU 255           HG       LEU 255  57.726   3.050  10.657
   49   1HD1  LEU 255          1HD1      LEU 255  56.498   4.415  13.055
   50   2HD1  LEU 255          2HD1      LEU 255  57.881   4.936  12.092
   51   3HD1  LEU 255          3HD1      LEU 255  58.026   3.540  13.160
   52   1HD2  LEU 255          1HD2      LEU 255  57.032   1.018  11.371
   53   2HD2  LEU 255          2HD2      LEU 255  55.465   1.660  11.868
   54   3HD2  LEU 255          3HD2      LEU 255  56.841   1.741  12.968
   55    H    HIS 256           H        HIS 256  56.471   2.870   7.377
   56    HA   HIS 256           HA       HIS 256  55.073   5.158   6.237
   57   1HB   HIS 256          1HB       HIS 256  57.318   3.463   5.115
   58   2HB   HIS 256          2HB       HIS 256  56.736   4.990   4.447
   59    HD2  HIS 256           HD2      HIS 256  56.674   5.562   8.128
   60    HE1  HIS 256           HE1      HIS 256  60.622   6.557   7.011
   61    HE2  HIS 256           HE2      HIS 256  58.895   6.722   8.865
   62    H    ILE 257           H        ILE 257  55.464   1.692   5.644
   63    HA   ILE 257           HA       ILE 257  54.009   1.607   3.210
   64    HB   ILE 257           HB       ILE 257  53.938  -0.794   3.547
   65   1HG1  ILE 257          1HG1      ILE 257  55.196  -1.279   5.971
   66   2HG1  ILE 257          2HG1      ILE 257  54.081   0.033   6.359
   67   1HG2  ILE 257          1HG2      ILE 257  56.245  -1.177   3.532
   68   2HG2  ILE 257          2HG2      ILE 257  56.552   0.025   4.786
   69   3HG2  ILE 257          3HG2      ILE 257  56.162   0.541   3.146
   70   1HD1  ILE 257          1HD1      ILE 257  53.369  -2.598   5.032
   71   2HD1  ILE 257          2HD1      ILE 257  52.241  -1.266   5.283
   72   3HD1  ILE 257          3HD1      ILE 257  52.941  -2.101   6.669
   73    H    LEU 258           H        LEU 258  53.004   2.254   6.348
   74    HA   LEU 258           HA       LEU 258  50.342   1.090   6.044
   75   1HB   LEU 258          1HB       LEU 258  51.981   1.858   8.241
   76   2HB   LEU 258          2HB       LEU 258  50.519   2.843   8.296
   77    HG   LEU 258           HG       LEU 258  50.556  -0.177   8.007
   78   1HD1  LEU 258          1HD1      LEU 258  49.894   1.572  10.397
   79   2HD1  LEU 258          2HD1      LEU 258  51.330   0.560  10.233
   80   3HD1  LEU 258          3HD1      LEU 258  49.732  -0.183  10.333
   81   1HD2  LEU 258          1HD2      LEU 258  48.551   1.817   7.526
   82   2HD2  LEU 258          2HD2      LEU 258  48.084   0.889   8.952
   83   3HD2  LEU 258          3HD2      LEU 258  48.393   0.063   7.424
   84    H    VAL 259           H        VAL 259  51.900   4.270   6.159
   85    HA   VAL 259           HA       VAL 259  49.628   5.891   6.125
   86    HB   VAL 259           HB       VAL 259  52.313   6.353   4.805
   87   1HG1  VAL 259          1HG1      VAL 259  51.243   8.142   3.909
   88   2HG1  VAL 259          2HG1      VAL 259  51.276   8.798   5.546
   89   3HG1  VAL 259          3HG1      VAL 259  49.845   7.945   4.966
   90   1HG2  VAL 259          1HG2      VAL 259  53.070   6.620   6.910
   91   2HG2  VAL 259          2HG2      VAL 259  51.475   6.211   7.543
   92   3HG2  VAL 259          3HG2      VAL 259  51.872   7.888   7.171
   93    H    PHE 260           H        PHE 260  51.261   4.201   3.491
   94    HA   PHE 260           HA       PHE 260  50.219   5.357   1.251
   95   1HB   PHE 260          1HB       PHE 260  51.416   3.574   0.541
   96   2HB   PHE 260          2HB       PHE 260  51.030   2.627   1.977
   97    HD1  PHE 260           HD1      PHE 260  49.707   0.733   1.662
   98    HD2  PHE 260           HD2      PHE 260  49.245   4.076  -0.999
   99    HE1  PHE 260           HE1      PHE 260  48.009  -0.528   0.371
  100    HE2  PHE 260           HE2      PHE 260  47.547   2.813  -2.289
  101    HZ   PHE 260           HZ       PHE 260  46.929   0.510  -1.605
  102    H    GLY 261           H        GLY 261  48.539   3.323   3.580
  103   1HA   GLY 261          1HA       GLY 261  46.106   3.195   2.016
  104   2HA   GLY 261          2HA       GLY 261  46.325   2.613   3.665
  105    H    GLU 262           H        GLU 262  46.970   4.671   5.156
  106    HA   GLU 262           HA       GLU 262  44.632   6.099   5.593
  107   1HB   GLU 262          1HB       GLU 262  47.387   7.126   6.281
  108   2HB   GLU 262          2HB       GLU 262  45.874   7.428   7.137
  109   1HG   GLU 262          1HG       GLU 262  45.731   4.926   7.543
  110   2HG   GLU 262          2HG       GLU 262  47.381   4.812   6.933
  111    H    SER 263           H        SER 263  47.103   6.639   3.255
  112    HA   SER 263           HA       SER 263  46.317   9.416   2.795
  113   1HB   SER 263          1HB       SER 263  48.571   7.681   2.010
  114   2HB   SER 263          2HB       SER 263  48.049   8.831   0.783
  115    HG   SER 263           HG       SER 263  48.593  10.464   2.064
  116    H    LEU 264           H        LEU 264  46.491   6.390   0.901
  117    HA   LEU 264           HA       LEU 264  44.853   7.520  -1.208
  118   1HB   LEU 264          1HB       LEU 264  46.135   4.841  -0.732
  119   2HB   LEU 264          2HB       LEU 264  44.966   5.059  -2.027
  120    HG   LEU 264           HG       LEU 264  47.396   5.385  -2.700
  121   1HD1  LEU 264          1HD1      LEU 264  46.400   8.036  -3.291
  122   2HD1  LEU 264          2HD1      LEU 264  45.094   6.861  -3.431
  123   3HD1  LEU 264          3HD1      LEU 264  46.571   6.653  -4.369
  124   1HD2  LEU 264          1HD2      LEU 264  48.572   7.335  -1.983
  125   2HD2  LEU 264          2HD2      LEU 264  47.932   6.601  -0.515
  126   3HD2  LEU 264          3HD2      LEU 264  47.136   8.009  -1.216
  127    H    LEU 265           H        LEU 265  44.491   4.900   1.185
  128    HA   LEU 265           HA       LEU 265  41.954   4.023   0.587
  129   1HB   LEU 265          1HB       LEU 265  43.604   3.294   2.469
  130   2HB   LEU 265          2HB       LEU 265  42.730   4.468   3.453
  131    HG   LEU 265           HG       LEU 265  40.624   3.208   2.371
  132   1HD1  LEU 265          1HD1      LEU 265  41.004   0.894   1.992
  133   2HD1  LEU 265          2HD1      LEU 265  42.624   0.966   2.685
  134   3HD1  LEU 265          3HD1      LEU 265  42.302   1.709   1.118
  135   1HD2  LEU 265          1HD2      LEU 265  42.290   2.300   4.737
  136   2HD2  LEU 265          2HD2      LEU 265  40.644   1.746   4.428
  137   3HD2  LEU 265          3HD2      LEU 265  40.955   3.451   4.759
  138    H    ASN 266           H        ASN 266  42.901   7.043   2.051
  139    HA   ASN 266           HA       ASN 266  40.300   7.741   3.043
  140   1HB   ASN 266          1HB       ASN 266  41.442   9.400   4.023
  141   2HB   ASN 266          2HB       ASN 266  42.903   8.780   3.254
  142   1HD2  ASN 266          1HD2      ASN 266  43.143   9.558   0.838
  143   2HD2  ASN 266          2HD2      ASN 266  42.726  11.177   0.539
  144    H    ASP 267           H        ASP 267  41.626   7.563  -0.048
  145    HA   ASP 267           HA       ASP 267  40.017   9.725  -1.172
  146   1HB   ASP 267          1HB       ASP 267  42.434   8.658  -1.889
  147   2HB   ASP 267          2HB       ASP 267  41.341   7.854  -3.015
  148    H    ALA 268           H        ALA 268  39.955   6.271  -0.780
  149    HA   ALA 268           HA       ALA 268  37.738   5.963  -2.667
  150   1HB   ALA 268          1HB       ALA 268  39.544   4.270  -2.634
  151   2HB   ALA 268          2HB       ALA 268  37.974   3.569  -2.237
  152   3HB   ALA 268          3HB       ALA 268  39.143   3.896  -0.958
  153    H    VAL 269           H        VAL 269  38.438   5.705   0.792
  154    HA   VAL 269           HA       VAL 269  35.962   4.713   1.654
  155    HB   VAL 269           HB       VAL 269  38.094   6.382   2.955
  156   1HG1  VAL 269          1HG1      VAL 269  35.338   5.727   3.972
  157   2HG1  VAL 269          2HG1      VAL 269  36.235   7.239   4.105
  158   3HG1  VAL 269          3HG1      VAL 269  36.691   5.854   5.095
  159   1HG2  VAL 269          1HG2      VAL 269  37.055   3.766   3.961
  160   2HG2  VAL 269          2HG2      VAL 269  38.704   4.393   3.964
  161   3HG2  VAL 269          3HG2      VAL 269  38.006   3.754   2.476
  162    H    THR 270           H        THR 270  36.972   7.943   0.758
  163    HA   THR 270           HA       THR 270  34.611   9.230   1.808
  164    HB   THR 270           HB       THR 270  36.879  10.331   1.506
  165    HG1  THR 270           HG1      THR 270  34.466  11.363   0.489
  166   1HG2  THR 270          1HG2      THR 270  36.109  10.878  -1.320
  167   2HG2  THR 270          2HG2      THR 270  36.838   9.310  -0.970
  168   3HG2  THR 270          3HG2      THR 270  37.712  10.793  -0.587
  169    H    VAL 271           H        VAL 271  35.579   7.734  -1.181
  170    HA   VAL 271           HA       VAL 271  33.650   8.967  -2.875
  171    HB   VAL 271           HB       VAL 271  35.189   6.374  -3.081
  172   1HG1  VAL 271          1HG1      VAL 271  33.142   7.628  -4.907
  173   2HG1  VAL 271          2HG1      VAL 271  33.278   5.945  -4.396
  174   3HG1  VAL 271          3HG1      VAL 271  34.430   6.611  -5.554
  175   1HG2  VAL 271          1HG2      VAL 271  36.156   8.850  -3.285
  176   2HG2  VAL 271          2HG2      VAL 271  35.468   8.731  -4.905
  177   3HG2  VAL 271          3HG2      VAL 271  36.689   7.573  -4.378
  178    H    VAL 272           H        VAL 272  33.608   6.178  -0.744
  179    HA   VAL 272           HA       VAL 272  30.975   5.344  -1.677
  180    HB   VAL 272           HB       VAL 272  32.468   3.558  -1.114
  181   1HG1  VAL 272          1HG1      VAL 272  32.809   5.039   1.509
  182   2HG1  VAL 272          2HG1      VAL 272  34.048   4.722   0.295
  183   3HG1  VAL 272          3HG1      VAL 272  33.376   3.391   1.237
  184   1HG2  VAL 272          1HG2      VAL 272  29.990   3.603  -0.244
  185   2HG2  VAL 272          2HG2      VAL 272  30.744   3.729   1.346
  186   3HG2  VAL 272          3HG2      VAL 272  31.077   2.334   0.319
  187    H    LEU 273           H        LEU 273  32.283   7.509   0.579
  188    HA   LEU 273           HA       LEU 273  30.036   7.344   2.437
  189   1HB   LEU 273          1HB       LEU 273  32.692   8.188   2.663
  190   2HB   LEU 273          2HB       LEU 273  31.742   9.670   2.758
  191    HG   LEU 273           HG       LEU 273  30.277   8.522   4.464
  192   1HD1  LEU 273          1HD1      LEU 273  32.266   6.585   5.269
  193   2HD1  LEU 273          2HD1      LEU 273  31.751   6.265   3.613
  194   3HD1  LEU 273          3HD1      LEU 273  30.558   6.332   4.910
  195   1HD2  LEU 273          1HD2      LEU 273  31.899  10.060   5.300
  196   2HD2  LEU 273          2HD2      LEU 273  33.229   8.951   4.972
  197   3HD2  LEU 273          3HD2      LEU 273  32.094   8.604   6.275
  198    H    TYR 274           H        TYR 274  31.195   9.317  -0.212
  199    HA   TYR 274           HA       TYR 274  29.190  11.378   0.198
  200   1HB   TYR 274          1HB       TYR 274  30.771  12.527  -0.909
  201   2HB   TYR 274          2HB       TYR 274  31.597  11.045  -1.393
  202    HD1  TYR 274           HD1      TYR 274  30.784   9.775  -3.416
  203    HD2  TYR 274           HD2      TYR 274  29.334  13.693  -2.414
  204    HE1  TYR 274           HE1      TYR 274  29.915  10.044  -5.723
  205    HE2  TYR 274           HE2      TYR 274  28.464  13.960  -4.721
  206    HH   TYR 274           HH       TYR 274  29.074  12.935  -7.045
  207    H    LYS 275           H        LYS 275  29.686   8.529  -1.774
  208    HA   LYS 275           HA       LYS 275  27.878   8.834  -3.817
  209   1HB   LYS 275          1HB       LYS 275  29.336   6.735  -2.791
  210   2HB   LYS 275          2HB       LYS 275  27.674   6.210  -2.520
  211   1HG   LYS 275          1HG       LYS 275  28.194   5.442  -4.705
  212   2HG   LYS 275          2HG       LYS 275  27.237   6.900  -4.962
  213   1HD   LYS 275          1HD       LYS 275  29.803   7.902  -4.768
  214   2HD   LYS 275          2HD       LYS 275  30.052   6.373  -5.613
  215   1HE   LYS 275          1HE       LYS 275  28.201   7.032  -7.191
  216   2HE   LYS 275          2HE       LYS 275  28.185   8.617  -6.420
  217   1HZ   LYS 275          1HZ       LYS 275  29.967   9.225  -7.563
  218   2HZ   LYS 275          2HZ       LYS 275  29.817   7.798  -8.474
  219   3HZ   LYS 275          3HZ       LYS 275  30.827   7.836  -7.108
  220    H    LYS 276           H        LYS 276  27.144   7.493  -0.589
  221    HA   LYS 276           HA       LYS 276  25.146   7.243   0.526
  222   1HB   LYS 276          1HB       LYS 276  24.685   9.888  -0.869
  223   2HB   LYS 276          2HB       LYS 276  23.647   9.247   0.406
  224   1HG   LYS 276          1HG       LYS 276  26.555   9.278   1.000
  225   2HG   LYS 276          2HG       LYS 276  25.771  10.856   0.905
  226   1HD   LYS 276          1HD       LYS 276  24.184  10.271   2.602
  227   2HD   LYS 276          2HD       LYS 276  24.657   8.572   2.548
  228   1HE   LYS 276          1HE       LYS 276  26.721   8.986   3.606
  229   2HE   LYS 276          2HE       LYS 276  26.665  10.711   3.241
  230   1HZ   LYS 276          1HZ       LYS 276  25.139   9.202   5.266
  231   2HZ   LYS 276          2HZ       LYS 276  24.575  10.698   4.689
  232   3HZ   LYS 276          3HZ       LYS 276  26.083  10.596   5.467
  233   1HN   NH2 277          1HN       NH2 277  25.320   6.451  -2.547
  234   2HN   NH2 277          2HN       NH2 277  23.681   6.150  -2.921
  Start of MODEL   30
    1   1H    HIS 250          1H        HIS 250  40.585  17.691 -12.776
    2   2H    HIS 250          2H        HIS 250  39.097  17.695 -11.956
    3   3H    HIS 250          3H        HIS 250  40.278  16.534 -11.574
    4    HA   HIS 250           HA       HIS 250  41.273  19.202 -11.323
    5   1HB   HIS 250          1HB       HIS 250  38.608  18.905 -10.560
    6   2HB   HIS 250          2HB       HIS 250  39.507  18.684  -9.058
    7    HD2  HIS 250           HD2      HIS 250  41.922  20.911  -9.728
    8    HE1  HIS 250           HE1      HIS 250  38.712  23.642  -9.987
    9    HE2  HIS 250           HE2      HIS 250  41.228  23.428  -9.716
   10    H    ILE 251           H        ILE 251  42.722  19.256  -9.567
   11    HA   ILE 251           HA       ILE 251  43.195  16.650  -8.240
   12    HB   ILE 251           HB       ILE 251  45.406  18.591  -8.849
   13   1HG1  ILE 251          1HG1      ILE 251  45.673  16.768 -10.831
   14   2HG1  ILE 251          2HG1      ILE 251  43.913  16.840 -10.735
   15   1HG2  ILE 251          1HG2      ILE 251  45.671  15.627  -8.940
   16   2HG2  ILE 251          2HG2      ILE 251  45.360  16.345  -7.359
   17   3HG2  ILE 251          3HG2      ILE 251  46.777  16.835  -8.287
   18   1HD1  ILE 251          1HD1      ILE 251  44.223  19.413 -10.758
   19   2HD1  ILE 251          2HD1      ILE 251  44.453  18.545 -12.276
   20   3HD1  ILE 251          3HD1      ILE 251  45.852  19.069 -11.340
   21    H    ASN 252           H        ASN 252  41.602  18.847  -7.242
   22    HA   ASN 252           HA       ASN 252  43.187  20.304  -5.322
   23   1HB   ASN 252          1HB       ASN 252  41.013  21.110  -4.494
   24   2HB   ASN 252          2HB       ASN 252  41.135  21.278  -6.245
   25   1HD2  ASN 252          1HD2      ASN 252  39.793  19.881  -7.576
   26   2HD2  ASN 252          2HD2      ASN 252  38.535  18.956  -6.909
   27    H    GLU 253           H        GLU 253  40.565  17.904  -4.963
   28    HA   GLU 253           HA       GLU 253  41.146  17.414  -2.211
   29   1HB   GLU 253          1HB       GLU 253  39.676  15.307  -2.755
   30   2HB   GLU 253          2HB       GLU 253  38.944  16.911  -2.740
   31   1HG   GLU 253          1HG       GLU 253  38.722  16.987  -5.030
   32   2HG   GLU 253          2HG       GLU 253  40.143  15.982  -5.307
   33    H    LEU 254           H        LEU 254  42.476  16.273  -5.154
   34    HA   LEU 254           HA       LEU 254  43.569  13.848  -3.942
   35   1HB   LEU 254          1HB       LEU 254  43.181  14.874  -6.671
   36   2HB   LEU 254          2HB       LEU 254  44.714  14.041  -6.429
   37    HG   LEU 254           HG       LEU 254  42.826  12.532  -7.147
   38   1HD1  LEU 254          1HD1      LEU 254  44.049  10.945  -6.131
   39   2HD1  LEU 254          2HD1      LEU 254  43.266  11.316  -4.595
   40   3HD1  LEU 254          3HD1      LEU 254  44.742  12.162  -5.059
   41   1HD2  LEU 254          1HD2      LEU 254  41.337  13.964  -5.352
   42   2HD2  LEU 254          2HD2      LEU 254  41.701  12.517  -4.412
   43   3HD2  LEU 254          3HD2      LEU 254  40.882  12.376  -5.967
   44    H    LEU 255           H        LEU 255  44.331  17.007  -3.804
   45    HA   LEU 255           HA       LEU 255  47.203  16.767  -4.237
   46   1HB   LEU 255          1HB       LEU 255  45.314  18.902  -4.176
   47   2HB   LEU 255          2HB       LEU 255  46.520  19.205  -2.925
   48    HG   LEU 255           HG       LEU 255  47.167  18.509  -5.805
   49   1HD1  LEU 255          1HD1      LEU 255  47.997  20.950  -5.759
   50   2HD1  LEU 255          2HD1      LEU 255  46.996  21.133  -4.319
   51   3HD1  LEU 255          3HD1      LEU 255  46.254  20.698  -5.858
   52   1HD2  LEU 255          1HD2      LEU 255  49.259  18.177  -5.035
   53   2HD2  LEU 255          2HD2      LEU 255  48.702  18.470  -3.388
   54   3HD2  LEU 255          3HD2      LEU 255  49.275  19.813  -4.377
   55    H    HIS 256           H        HIS 256  45.062  17.601  -1.499
   56    HA   HIS 256           HA       HIS 256  46.993  17.708   0.500
   57   1HB   HIS 256          1HB       HIS 256  44.127  16.751   0.690
   58   2HB   HIS 256          2HB       HIS 256  45.142  17.179   2.067
   59    HD2  HIS 256           HD2      HIS 256  44.111  19.126  -1.270
   60    HE1  HIS 256           HE1      HIS 256  44.165  21.823   1.978
   61    HE2  HIS 256           HE2      HIS 256  43.722  21.595  -0.512
   62    H    ILE 257           H        ILE 257  45.796  14.995  -1.238
   63    HA   ILE 257           HA       ILE 257  46.415  12.994   0.721
   64    HB   ILE 257           HB       ILE 257  46.244  12.563  -2.257
   65   1HG1  ILE 257          1HG1      ILE 257  44.304  13.885  -1.718
   66   2HG1  ILE 257          2HG1      ILE 257  43.773  12.206  -1.808
   67   1HG2  ILE 257          1HG2      ILE 257  46.740  10.842  -0.167
   68   2HG2  ILE 257          2HG2      ILE 257  46.057  10.366  -1.722
   69   3HG2  ILE 257          3HG2      ILE 257  44.993  10.698  -0.357
   70   1HD1  ILE 257          1HD1      ILE 257  42.785  13.026   0.182
   71   2HD1  ILE 257          2HD1      ILE 257  44.248  13.890   0.652
   72   3HD1  ILE 257          3HD1      ILE 257  44.196  12.130   0.738
   73    H    LEU 258           H        LEU 258  48.068  14.298  -2.138
   74    HA   LEU 258           HA       LEU 258  50.262  12.601  -2.236
   75   1HB   LEU 258          1HB       LEU 258  49.684  15.366  -3.104
   76   2HB   LEU 258          2HB       LEU 258  51.394  14.973  -2.918
   77    HG   LEU 258           HG       LEU 258  51.128  13.019  -4.377
   78   1HD1  LEU 258          1HD1      LEU 258  48.277  13.677  -3.969
   79   2HD1  LEU 258          2HD1      LEU 258  49.035  12.124  -4.316
   80   3HD1  LEU 258          3HD1      LEU 258  48.704  13.256  -5.627
   81   1HD2  LEU 258          1HD2      LEU 258  51.236  15.601  -5.181
   82   2HD2  LEU 258          2HD2      LEU 258  49.733  15.114  -5.964
   83   3HD2  LEU 258          3HD2      LEU 258  51.229  14.248  -6.314
   84    H    VAL 259           H        VAL 259  49.336  14.597   0.299
   85    HA   VAL 259           HA       VAL 259  51.943  15.313   1.283
   86    HB   VAL 259           HB       VAL 259  49.271  15.238   2.705
   87   1HG1  VAL 259          1HG1      VAL 259  50.420  16.897   4.208
   88   2HG1  VAL 259          2HG1      VAL 259  51.932  16.525   3.380
   89   3HG1  VAL 259          3HG1      VAL 259  51.097  15.272   4.299
   90   1HG2  VAL 259          1HG2      VAL 259  49.041  17.535   2.108
   91   2HG2  VAL 259          2HG2      VAL 259  49.519  16.717   0.621
   92   3HG2  VAL 259          3HG2      VAL 259  50.710  17.633   1.545
   93    H    PHE 260           H        PHE 260  49.447  13.253   2.785
   94    HA   PHE 260           HA       PHE 260  51.496  11.785   4.230
   95   1HB   PHE 260          1HB       PHE 260  49.069  10.513   4.677
   96   2HB   PHE 260          2HB       PHE 260  49.788  11.762   5.694
   97    HD1  PHE 260           HD1      PHE 260  49.237  14.192   5.242
   98    HD2  PHE 260           HD2      PHE 260  47.124  10.950   3.377
   99    HE1  PHE 260           HE1      PHE 260  47.388  15.736   4.655
  100    HE2  PHE 260           HE2      PHE 260  45.274  12.494   2.791
  101    HZ   PHE 260           HZ       PHE 260  45.405  14.887   3.430
  102    H    GLY 261           H        GLY 261  48.725  10.754   2.222
  103   1HA   GLY 261          1HA       GLY 261  48.890   9.308   0.334
  104   2HA   GLY 261          2HA       GLY 261  50.457   8.761   0.925
  105    H    GLU 262           H        GLU 262  49.673   8.302   3.633
  106    HA   GLU 262           HA       GLU 262  48.818   5.640   3.509
  107   1HB   GLU 262          1HB       GLU 262  48.592   7.546   5.852
  108   2HB   GLU 262          2HB       GLU 262  48.570   5.784   5.935
  109   1HG   GLU 262          1HG       GLU 262  50.867   6.288   4.487
  110   2HG   GLU 262          2HG       GLU 262  50.849   7.610   5.653
  111    H    SER 263           H        SER 263  47.028   8.406   2.969
  112    HA   SER 263           HA       SER 263  44.520   7.393   4.061
  113   1HB   SER 263          1HB       SER 263  43.572   9.477   3.380
  114   2HB   SER 263          2HB       SER 263  45.159   9.847   4.049
  115    HG   SER 263           HG       SER 263  44.213  10.033   1.459
  116    H    LEU 264           H        LEU 264  46.323   6.669   1.427
  117    HA   LEU 264           HA       LEU 264  44.805   6.790  -0.839
  118   1HB   LEU 264          1HB       LEU 264  45.868   4.690  -1.544
  119   2HB   LEU 264          2HB       LEU 264  47.033   5.744  -0.745
  120    HG   LEU 264           HG       LEU 264  45.971   4.306   1.364
  121   1HD1  LEU 264          1HD1      LEU 264  44.811   2.813  -0.239
  122   2HD1  LEU 264          2HD1      LEU 264  46.058   1.949   0.663
  123   3HD1  LEU 264          3HD1      LEU 264  46.359   2.446  -1.003
  124   1HD2  LEU 264          1HD2      LEU 264  48.438   3.906  -0.344
  125   2HD2  LEU 264          2HD2      LEU 264  48.168   3.003   1.147
  126   3HD2  LEU 264          3HD2      LEU 264  48.312   4.760   1.194
  127    H    LEU 265           H        LEU 265  44.246   4.801   1.985
  128    HA   LEU 265           HA       LEU 265  42.201   3.191   0.726
  129   1HB   LEU 265          1HB       LEU 265  43.752   2.621   2.770
  130   2HB   LEU 265          2HB       LEU 265  42.496   3.444   3.697
  131    HG   LEU 265           HG       LEU 265  40.907   1.899   2.206
  132   1HD1  LEU 265          1HD1      LEU 265  41.930  -0.304   1.849
  133   2HD1  LEU 265          2HD1      LEU 265  43.472   0.299   2.457
  134   3HD1  LEU 265          3HD1      LEU 265  42.812   0.927   0.947
  135   1HD2  LEU 265          1HD2      LEU 265  41.019   0.216   4.075
  136   2HD2  LEU 265          2HD2      LEU 265  40.907   1.884   4.635
  137   3HD2  LEU 265          3HD2      LEU 265  42.457   1.045   4.670
  138    H    ASN 266           H        ASN 266  42.378   6.137   2.595
  139    HA   ASN 266           HA       ASN 266  39.567   6.238   3.214
  140   1HB   ASN 266          1HB       ASN 266  40.220   7.877   4.594
  141   2HB   ASN 266          2HB       ASN 266  41.872   7.615   4.038
  142   1HD2  ASN 266          1HD2      ASN 266  42.142   8.699   1.636
  143   2HD2  ASN 266          2HD2      ASN 266  41.593  10.304   1.560
  144    H    ASP 267           H        ASP 267  41.592   7.203   0.565
  145    HA   ASP 267           HA       ASP 267  39.950   9.191  -0.586
  146   1HB   ASP 267          1HB       ASP 267  42.325   8.699  -1.228
  147   2HB   ASP 267          2HB       ASP 267  41.749   7.250  -2.050
  148    H    ALA 268           H        ALA 268  39.140   6.094   0.072
  149    HA   ALA 268           HA       ALA 268  37.726   5.471  -2.389
  150   1HB   ALA 268          1HB       ALA 268  38.158   4.111   0.239
  151   2HB   ALA 268          2HB       ALA 268  38.435   3.509  -1.396
  152   3HB   ALA 268          3HB       ALA 268  36.793   3.614  -0.761
  153    H    VAL 269           H        VAL 269  36.841   6.211   0.987
  154    HA   VAL 269           HA       VAL 269  34.049   6.272   0.549
  155    HB   VAL 269           HB       VAL 269  35.385   6.189   2.775
  156   1HG1  VAL 269          1HG1      VAL 269  35.948   8.240   3.791
  157   2HG1  VAL 269          2HG1      VAL 269  34.977   9.173   2.652
  158   3HG1  VAL 269          3HG1      VAL 269  36.496   8.446   2.128
  159   1HG2  VAL 269          1HG2      VAL 269  33.118   6.119   3.154
  160   2HG2  VAL 269          2HG2      VAL 269  32.799   7.517   2.126
  161   3HG2  VAL 269          3HG2      VAL 269  33.416   7.748   3.763
  162    H    THR 270           H        THR 270  36.575   8.658   0.123
  163    HA   THR 270           HA       THR 270  35.011  10.988   0.008
  164    HB   THR 270           HB       THR 270  36.867  11.951  -1.273
  165    HG1  THR 270           HG1      THR 270  38.589  10.504  -1.831
  166   1HG2  THR 270          1HG2      THR 270  38.431  11.814   0.443
  167   2HG2  THR 270          2HG2      THR 270  38.178  10.083   0.672
  168   3HG2  THR 270          3HG2      THR 270  36.979  11.235   1.261
  169    H    VAL 271           H        VAL 271  35.437   8.381  -2.249
  170    HA   VAL 271           HA       VAL 271  34.351   9.833  -4.508
  171    HB   VAL 271           HB       VAL 271  34.945   6.893  -4.094
  172   1HG1  VAL 271          1HG1      VAL 271  34.780   6.896  -6.644
  173   2HG1  VAL 271          2HG1      VAL 271  33.990   8.465  -6.498
  174   3HG1  VAL 271          3HG1      VAL 271  33.251   7.035  -5.777
  175   1HG2  VAL 271          1HG2      VAL 271  36.404   9.178  -5.447
  176   2HG2  VAL 271          2HG2      VAL 271  36.803   7.485  -5.737
  177   3HG2  VAL 271          3HG2      VAL 271  36.980   8.169  -4.120
  178    H    VAL 272           H        VAL 272  33.224   7.526  -2.092
  179    HA   VAL 272           HA       VAL 272  30.676   7.046  -3.272
  180    HB   VAL 272           HB       VAL 272  31.653   6.753  -0.424
  181   1HG1  VAL 272          1HG1      VAL 272  29.024   6.130  -1.750
  182   2HG1  VAL 272          2HG1      VAL 272  29.322   6.874  -0.179
  183   3HG1  VAL 272          3HG1      VAL 272  29.593   5.146  -0.402
  184   1HG2  VAL 272          1HG2      VAL 272  32.533   4.802  -1.135
  185   2HG2  VAL 272          2HG2      VAL 272  32.147   5.279  -2.789
  186   3HG2  VAL 272          3HG2      VAL 272  30.993   4.328  -1.853
  187    H    LEU 273           H        LEU 273  31.954   9.489  -1.108
  188    HA   LEU 273           HA       LEU 273  29.392  10.552  -0.352
  189   1HB   LEU 273          1HB       LEU 273  32.246  11.410  -0.021
  190   2HB   LEU 273          2HB       LEU 273  30.948  12.562   0.296
  191    HG   LEU 273           HG       LEU 273  30.689   9.835   1.482
  192   1HD1  LEU 273          1HD1      LEU 273  32.012  10.738   3.484
  193   2HD1  LEU 273          2HD1      LEU 273  32.657  11.949   2.378
  194   3HD1  LEU 273          3HD1      LEU 273  32.960  10.236   2.085
  195   1HD2  LEU 273          1HD2      LEU 273  29.097  11.931   1.614
  196   2HD2  LEU 273          2HD2      LEU 273  30.240  12.477   2.843
  197   3HD2  LEU 273          3HD2      LEU 273  29.374  10.955   3.057
  198    H    TYR 274           H        TYR 274  31.750  11.170  -2.877
  199    HA   TYR 274           HA       TYR 274  30.732  13.661  -3.763
  200   1HB   TYR 274          1HB       TYR 274  32.674  13.438  -4.876
  201   2HB   TYR 274          2HB       TYR 274  32.672  11.685  -4.678
  202    HD1  TYR 274           HD1      TYR 274  32.151  10.278  -6.492
  203    HD2  TYR 274           HD2      TYR 274  31.098  14.439  -6.660
  204    HE1  TYR 274           HE1      TYR 274  31.466  10.010  -8.862
  205    HE2  TYR 274           HE2      TYR 274  30.413  14.170  -9.028
  206    HH   TYR 274           HH       TYR 274  30.693  12.748 -10.871
  207    H    LYS 275           H        LYS 275  30.016  10.310  -4.675
  208    HA   LYS 275           HA       LYS 275  28.351  10.767  -6.860
  209   1HB   LYS 275          1HB       LYS 275  27.988   8.631  -4.744
  210   2HB   LYS 275          2HB       LYS 275  27.393   8.582  -6.403
  211   1HG   LYS 275          1HG       LYS 275  30.120   9.133  -6.668
  212   2HG   LYS 275          2HG       LYS 275  30.041   7.930  -5.381
  213   1HD   LYS 275          1HD       LYS 275  30.179   6.711  -7.443
  214   2HD   LYS 275          2HD       LYS 275  28.508   6.578  -6.894
  215   1HE   LYS 275          1HE       LYS 275  27.888   7.384  -8.907
  216   2HE   LYS 275          2HE       LYS 275  28.564   8.933  -8.407
  217   1HZ   LYS 275          1HZ       LYS 275  30.576   8.481  -9.447
  218   2HZ   LYS 275          2HZ       LYS 275  29.428   7.889 -10.551
  219   3HZ   LYS 275          3HZ       LYS 275  30.276   6.815  -9.545
  220    H    LYS 276           H        LYS 276  27.528  10.639  -3.400
  221    HA   LYS 276           HA       LYS 276  24.749  11.218  -3.846
  222   1HB   LYS 276          1HB       LYS 276  26.276  11.549  -1.261
  223   2HB   LYS 276          2HB       LYS 276  24.550  11.253  -1.469
  224   1HG   LYS 276          1HG       LYS 276  26.791   9.335  -2.176
  225   2HG   LYS 276          2HG       LYS 276  25.660   9.168  -0.832
  226   1HD   LYS 276          1HD       LYS 276  23.821   9.317  -2.679
  227   2HD   LYS 276          2HD       LYS 276  25.133   8.903  -3.783
  228   1HE   LYS 276          1HE       LYS 276  25.618   7.009  -2.008
  229   2HE   LYS 276          2HE       LYS 276  23.927   7.268  -1.577
  230   1HZ   LYS 276          1HZ       LYS 276  25.076   6.275  -4.086
  231   2HZ   LYS 276          2HZ       LYS 276  23.614   7.138  -4.146
  232   3HZ   LYS 276          3HZ       LYS 276  23.728   5.716  -3.223
  233   1HN   NH2 277          1HN       NH2 277  27.246  13.190  -4.481
  234   2HN   NH2 277          2HN       NH2 277  26.593  14.689  -3.988
  Start of MODEL   31
    1   1H    HIS 250          1H        HIS 250  39.707  -4.694 -15.883
    2   2H    HIS 250          2H        HIS 250  40.097  -6.272 -16.380
    3   3H    HIS 250          3H        HIS 250  41.154  -5.412 -15.363
    4    HA   HIS 250           HA       HIS 250  38.479  -6.498 -14.696
    5   1HB   HIS 250          1HB       HIS 250  41.093  -7.521 -14.485
    6   2HB   HIS 250          2HB       HIS 250  40.657  -7.012 -12.854
    7    HD2  HIS 250           HD2      HIS 250  37.587  -7.908 -12.611
    8    HE1  HIS 250           HE1      HIS 250  38.773 -11.655 -14.154
    9    HE2  HIS 250           HE2      HIS 250  36.935 -10.420 -12.911
   10    H    ILE 251           H        ILE 251  38.234  -6.265 -12.187
   11    HA   ILE 251           HA       ILE 251  38.985  -3.524 -11.376
   12    HB   ILE 251           HB       ILE 251  36.644  -3.696 -10.150
   13   1HG1  ILE 251          1HG1      ILE 251  36.498  -6.078 -11.359
   14   2HG1  ILE 251          2HG1      ILE 251  35.066  -5.087 -11.102
   15   1HG2  ILE 251          1HG2      ILE 251  37.081  -1.880 -11.603
   16   2HG2  ILE 251          2HG2      ILE 251  35.639  -2.639 -12.275
   17   3HG2  ILE 251          3HG2      ILE 251  37.216  -2.928 -13.014
   18   1HD1  ILE 251          1HD1      ILE 251  35.424  -6.051 -13.468
   19   2HD1  ILE 251          2HD1      ILE 251  36.703  -4.851 -13.632
   20   3HD1  ILE 251          3HD1      ILE 251  35.041  -4.335 -13.348
   21    H    ASN 252           H        ASN 252  39.689  -6.522 -10.762
   22    HA   ASN 252           HA       ASN 252  39.132  -6.656  -7.912
   23   1HB   ASN 252          1HB       ASN 252  40.604  -8.453  -9.838
   24   2HB   ASN 252          2HB       ASN 252  40.577  -8.751  -8.101
   25   1HD2  ASN 252          1HD2      ASN 252  37.792  -7.315  -9.742
   26   2HD2  ASN 252          2HD2      ASN 252  36.782  -8.670  -9.585
   27    H    GLU 253           H        GLU 253  42.141  -6.853  -9.830
   28    HA   GLU 253           HA       GLU 253  43.932  -6.420  -7.752
   29   1HB   GLU 253          1HB       GLU 253  45.560  -5.933  -9.413
   30   2HB   GLU 253          2HB       GLU 253  44.440  -7.069 -10.165
   31   1HG   GLU 253          1HG       GLU 253  43.181  -4.955 -10.986
   32   2HG   GLU 253          2HG       GLU 253  44.667  -4.094 -10.593
   33    H    LEU 254           H        LEU 254  41.595  -4.307  -8.890
   34    HA   LEU 254           HA       LEU 254  43.036  -1.837  -8.467
   35   1HB   LEU 254          1HB       LEU 254  40.488  -2.636  -9.553
   36   2HB   LEU 254          2HB       LEU 254  40.265  -1.342  -8.376
   37    HG   LEU 254           HG       LEU 254  42.301  -1.255 -10.619
   38   1HD1  LEU 254          1HD1      LEU 254  40.440   0.669 -11.182
   39   2HD1  LEU 254          2HD1      LEU 254  39.419  -0.608 -10.522
   40   3HD1  LEU 254          3HD1      LEU 254  40.454  -0.935 -11.912
   41   1HD2  LEU 254          1HD2      LEU 254  43.053   0.607  -9.593
   42   2HD2  LEU 254          2HD2      LEU 254  41.983   0.250  -8.239
   43   3HD2  LEU 254          3HD2      LEU 254  41.424   1.281  -9.555
   44    H    LEU 255           H        LEU 255  41.442  -4.119  -6.497
   45    HA   LEU 255           HA       LEU 255  40.668  -2.271  -4.409
   46   1HB   LEU 255          1HB       LEU 255  40.907  -5.286  -4.289
   47   2HB   LEU 255          2HB       LEU 255  40.021  -4.248  -3.170
   48    HG   LEU 255           HG       LEU 255  39.419  -4.557  -6.128
   49   1HD1  LEU 255          1HD1      LEU 255  38.735  -6.561  -5.021
   50   2HD1  LEU 255          2HD1      LEU 255  37.279  -5.576  -5.167
   51   3HD1  LEU 255          3HD1      LEU 255  38.131  -5.667  -3.626
   52   1HD2  LEU 255          1HD2      LEU 255  37.247  -3.373  -5.196
   53   2HD2  LEU 255          2HD2      LEU 255  38.662  -2.411  -5.621
   54   3HD2  LEU 255          3HD2      LEU 255  38.342  -2.811  -3.933
   55    H    HIS 256           H        HIS 256  43.593  -3.288  -5.465
   56    HA   HIS 256           HA       HIS 256  45.037  -4.189  -3.284
   57   1HB   HIS 256          1HB       HIS 256  45.749  -2.449  -5.624
   58   2HB   HIS 256          2HB       HIS 256  46.939  -2.765  -4.362
   59    HD2  HIS 256           HD2      HIS 256  44.557  -5.731  -5.159
   60    HE1  HIS 256           HE1      HIS 256  48.262  -6.572  -7.000
   61    HE2  HIS 256           HE2      HIS 256  45.988  -7.528  -6.401
   62    H    ILE 257           H        ILE 257  43.347  -1.285  -3.558
   63    HA   ILE 257           HA       ILE 257  45.029   0.392  -1.956
   64    HB   ILE 257           HB       ILE 257  42.069   0.570  -2.568
   65   1HG1  ILE 257          1HG1      ILE 257  43.985   0.685  -4.409
   66   2HG1  ILE 257          2HG1      ILE 257  42.623   1.802  -4.452
   67   1HG2  ILE 257          1HG2      ILE 257  42.418   1.921  -0.662
   68   2HG2  ILE 257          2HG2      ILE 257  42.563   3.045  -2.012
   69   3HG2  ILE 257          3HG2      ILE 257  44.012   2.437  -1.210
   70   1HD1  ILE 257          1HD1      ILE 257  43.898   3.576  -3.548
   71   2HD1  ILE 257          2HD1      ILE 257  44.995   2.803  -4.691
   72   3HD1  ILE 257          3HD1      ILE 257  45.158   2.489  -2.965
   73    H    LEU 258           H        LEU 258  42.703  -2.085  -1.302
   74    HA   LEU 258           HA       LEU 258  42.062  -1.294   1.373
   75   1HB   LEU 258          1HB       LEU 258  41.328  -3.396  -0.445
   76   2HB   LEU 258          2HB       LEU 258  41.757  -4.093   1.118
   77    HG   LEU 258           HG       LEU 258  39.847  -1.768   0.763
   78   1HD1  LEU 258          1HD1      LEU 258  38.049  -3.322   1.070
   79   2HD1  LEU 258          2HD1      LEU 258  39.163  -4.635   1.454
   80   3HD1  LEU 258          3HD1      LEU 258  39.076  -4.003  -0.191
   81   1HD2  LEU 258          1HD2      LEU 258  39.578  -3.308   3.188
   82   2HD2  LEU 258          2HD2      LEU 258  39.949  -1.593   3.008
   83   3HD2  LEU 258          3HD2      LEU 258  41.252  -2.782   3.006
   84    H    VAL 259           H        VAL 259  44.786  -2.745  -0.082
   85    HA   VAL 259           HA       VAL 259  45.705  -4.366   2.056
   86    HB   VAL 259           HB       VAL 259  47.150  -2.985  -0.210
   87   1HG1  VAL 259          1HG1      VAL 259  48.949  -3.263   1.199
   88   2HG1  VAL 259          2HG1      VAL 259  48.868  -4.904   0.558
   89   3HG1  VAL 259          3HG1      VAL 259  48.157  -4.535   2.129
   90   1HG2  VAL 259          1HG2      VAL 259  46.729  -5.940   0.222
   91   2HG2  VAL 259          2HG2      VAL 259  47.063  -5.083  -1.284
   92   3HG2  VAL 259          3HG2      VAL 259  45.475  -4.952  -0.527
   93    H    PHE 260           H        PHE 260  47.156  -1.289   0.986
   94    HA   PHE 260           HA       PHE 260  48.139  -0.817   3.687
   95   1HB   PHE 260          1HB       PHE 260  49.137   1.250   2.554
   96   2HB   PHE 260          2HB       PHE 260  49.729  -0.316   2.006
   97    HD1  PHE 260           HD1      PHE 260  47.951   2.714   1.088
   98    HD2  PHE 260           HD2      PHE 260  48.805  -1.321  -0.111
   99    HE1  PHE 260           HE1      PHE 260  47.222   3.246  -1.223
  100    HE2  PHE 260           HE2      PHE 260  48.078  -0.790  -2.422
  101    HZ   PHE 260           HZ       PHE 260  47.285   1.494  -2.977
  102    H    GLY 261           H        GLY 261  46.349   1.134   1.293
  103   1HA   GLY 261          1HA       GLY 261  44.980   2.981   1.616
  104   2HA   GLY 261          2HA       GLY 261  44.128   1.847   2.658
  105    H    GLU 262           H        GLU 262  47.165   3.728   2.861
  106    HA   GLU 262           HA       GLU 262  46.565   4.324   5.668
  107   1HB   GLU 262          1HB       GLU 262  49.015   5.462   4.521
  108   2HB   GLU 262          2HB       GLU 262  48.798   4.476   5.967
  109   1HG   GLU 262          1HG       GLU 262  48.471   2.486   4.428
  110   2HG   GLU 262          2HG       GLU 262  48.998   3.523   3.104
  111    H    SER 263           H        SER 263  47.840   6.208   2.914
  112    HA   SER 263           HA       SER 263  46.662   8.633   4.037
  113   1HB   SER 263          1HB       SER 263  48.729   8.007   1.995
  114   2HB   SER 263          2HB       SER 263  47.821   9.502   1.788
  115    HG   SER 263           HG       SER 263  49.844   9.108   3.373
  116    H    LEU 264           H        LEU 264  46.689   7.008   0.859
  117    HA   LEU 264           HA       LEU 264  44.624   8.542  -0.279
  118   1HB   LEU 264          1HB       LEU 264  45.475   5.706  -0.911
  119   2HB   LEU 264          2HB       LEU 264  44.467   6.725  -1.941
  120    HG   LEU 264           HG       LEU 264  47.070   7.859  -1.024
  121   1HD1  LEU 264          1HD1      LEU 264  47.858   5.696  -1.667
  122   2HD1  LEU 264          2HD1      LEU 264  48.135   6.740  -3.063
  123   3HD1  LEU 264          3HD1      LEU 264  46.763   5.631  -3.049
  124   1HD2  LEU 264          1HD2      LEU 264  45.304   9.000  -2.490
  125   2HD2  LEU 264          2HD2      LEU 264  45.762   7.859  -3.754
  126   3HD2  LEU 264          3HD2      LEU 264  46.950   8.999  -3.121
  127    H    LEU 265           H        LEU 265  44.402   6.606   2.353
  128    HA   LEU 265           HA       LEU 265  42.232   4.946   2.078
  129   1HB   LEU 265          1HB       LEU 265  43.562   5.292   4.175
  130   2HB   LEU 265          2HB       LEU 265  42.691   6.802   4.425
  131    HG   LEU 265           HG       LEU 265  40.542   5.531   4.412
  132   1HD1  LEU 265          1HD1      LEU 265  40.794   3.536   3.285
  133   2HD1  LEU 265          2HD1      LEU 265  41.069   2.955   4.927
  134   3HD1  LEU 265          3HD1      LEU 265  42.438   3.288   3.868
  135   1HD2  LEU 265          1HD2      LEU 265  40.909   4.432   6.630
  136   2HD2  LEU 265          2HD2      LEU 265  41.596   6.055   6.544
  137   3HD2  LEU 265          3HD2      LEU 265  42.646   4.645   6.408
  138    H    ASN 266           H        ASN 266  41.991   8.330   3.200
  139    HA   ASN 266           HA       ASN 266  39.274   8.653   3.183
  140   1HB   ASN 266          1HB       ASN 266  41.540  10.511   2.583
  141   2HB   ASN 266          2HB       ASN 266  39.889  11.070   2.322
  142   1HD2  ASN 266          1HD2      ASN 266  41.293   8.949   4.884
  143   2HD2  ASN 266          2HD2      ASN 266  40.741   9.905   6.174
  144    H    ASP 267           H        ASP 267  41.453   8.999   0.393
  145    HA   ASP 267           HA       ASP 267  39.376   9.624  -1.462
  146   1HB   ASP 267          1HB       ASP 267  42.068   8.423  -2.118
  147   2HB   ASP 267          2HB       ASP 267  41.053   9.429  -3.150
  148    H    ALA 268           H        ALA 268  40.380   6.735   0.028
  149    HA   ALA 268           HA       ALA 268  39.398   5.013  -2.121
  150   1HB   ALA 268          1HB       ALA 268  40.438   3.267  -1.034
  151   2HB   ALA 268          2HB       ALA 268  40.159   3.956   0.565
  152   3HB   ALA 268          3HB       ALA 268  41.432   4.608  -0.466
  153    H    VAL 269           H        VAL 269  38.360   6.388   0.889
  154    HA   VAL 269           HA       VAL 269  36.238   4.532   1.409
  155    HB   VAL 269           HB       VAL 269  36.669   7.364   2.391
  156   1HG1  VAL 269          1HG1      VAL 269  35.201   6.026   4.287
  157   2HG1  VAL 269          2HG1      VAL 269  34.533   5.371   2.792
  158   3HG1  VAL 269          3HG1      VAL 269  34.516   7.110   3.078
  159   1HG2  VAL 269          1HG2      VAL 269  38.237   5.182   2.874
  160   2HG2  VAL 269          2HG2      VAL 269  37.042   5.019   4.161
  161   3HG2  VAL 269          3HG2      VAL 269  38.001   6.493   4.030
  162    H    THR 270           H        THR 270  36.619   7.329  -0.604
  163    HA   THR 270           HA       THR 270  33.722   7.587  -0.995
  164    HB   THR 270           HB       THR 270  34.978   9.663  -0.727
  165    HG1  THR 270           HG1      THR 270  33.365   9.090  -2.664
  166   1HG2  THR 270          1HG2      THR 270  36.398   9.582  -3.263
  167   2HG2  THR 270          2HG2      THR 270  36.948   8.307  -2.175
  168   3HG2  THR 270          3HG2      THR 270  37.002   9.992  -1.657
  169    H    VAL 271           H        VAL 271  36.351   5.936  -2.308
  170    HA   VAL 271           HA       VAL 271  35.082   5.743  -4.969
  171    HB   VAL 271           HB       VAL 271  37.880   5.005  -4.075
  172   1HG1  VAL 271          1HG1      VAL 271  36.481   4.875  -6.759
  173   2HG1  VAL 271          2HG1      VAL 271  37.212   3.540  -5.869
  174   3HG1  VAL 271          3HG1      VAL 271  38.232   4.793  -6.574
  175   1HG2  VAL 271          1HG2      VAL 271  37.028   7.503  -4.379
  176   2HG2  VAL 271          2HG2      VAL 271  37.210   7.120  -6.091
  177   3HG2  VAL 271          3HG2      VAL 271  38.599   7.007  -5.010
  178    H    VAL 272           H        VAL 272  37.080   3.544  -2.999
  179    HA   VAL 272           HA       VAL 272  36.074   1.166  -3.989
  180    HB   VAL 272           HB       VAL 272  37.055   1.738  -1.183
  181   1HG1  VAL 272          1HG1      VAL 272  36.188  -0.719  -2.594
  182   2HG1  VAL 272          2HG1      VAL 272  36.269  -0.382  -0.864
  183   3HG1  VAL 272          3HG1      VAL 272  37.728  -0.841  -1.743
  184   1HG2  VAL 272          1HG2      VAL 272  39.174   0.714  -2.197
  185   2HG2  VAL 272          2HG2      VAL 272  38.762   2.340  -2.743
  186   3HG2  VAL 272          3HG2      VAL 272  38.414   0.949  -3.770
  187    H    LEU 273           H        LEU 273  34.500   3.448  -1.985
  188    HA   LEU 273           HA       LEU 273  32.584   1.513  -0.926
  189   1HB   LEU 273          1HB       LEU 273  33.475   3.495   0.400
  190   2HB   LEU 273          2HB       LEU 273  32.487   4.517  -0.645
  191    HG   LEU 273           HG       LEU 273  30.612   2.733   0.022
  192   1HD1  LEU 273          1HD1      LEU 273  32.423   1.520   1.412
  193   2HD1  LEU 273          2HD1      LEU 273  30.872   1.822   2.192
  194   3HD1  LEU 273          3HD1      LEU 273  32.255   2.855   2.552
  195   1HD2  LEU 273          1HD2      LEU 273  30.248   5.041   0.436
  196   2HD2  LEU 273          2HD2      LEU 273  31.603   5.136   1.562
  197   3HD2  LEU 273          3HD2      LEU 273  30.128   4.288   2.027
  198    H    TYR 274           H        TYR 274  32.515   4.444  -2.962
  199    HA   TYR 274           HA       TYR 274  29.787   3.926  -3.781
  200   1HB   TYR 274          1HB       TYR 274  31.838   6.029  -4.404
  201   2HB   TYR 274          2HB       TYR 274  30.394   5.877  -5.406
  202    HD1  TYR 274           HD1      TYR 274  31.541   6.281  -1.876
  203    HD2  TYR 274           HD2      TYR 274  28.307   6.717  -4.670
  204    HE1  TYR 274           HE1      TYR 274  30.218   7.487  -0.159
  205    HE2  TYR 274           HE2      TYR 274  26.986   7.922  -2.954
  206    HH   TYR 274           HH       TYR 274  27.746   7.904   0.297
  207    H    LYS 275           H        LYS 275  32.643   4.555  -5.811
  208    HA   LYS 275           HA       LYS 275  31.674   3.263  -8.090
  209   1HB   LYS 275          1HB       LYS 275  33.591   4.802  -8.124
  210   2HB   LYS 275          2HB       LYS 275  34.553   3.626  -7.228
  211   1HG   LYS 275          1HG       LYS 275  35.012   2.457  -9.100
  212   2HG   LYS 275          2HG       LYS 275  33.308   2.405  -9.553
  213   1HD   LYS 275          1HD       LYS 275  35.058   4.842  -9.960
  214   2HD   LYS 275          2HD       LYS 275  34.804   3.616 -11.201
  215   1HE   LYS 275          1HE       LYS 275  32.278   4.455 -10.038
  216   2HE   LYS 275          2HE       LYS 275  33.165   5.833 -10.688
  217   1HZ   LYS 275          1HZ       LYS 275  32.007   3.557 -12.066
  218   2HZ   LYS 275          2HZ       LYS 275  33.534   4.052 -12.623
  219   3HZ   LYS 275          3HZ       LYS 275  32.238   5.149 -12.602
  220    H    LYS 276           H        LYS 276  33.636   2.018  -5.413
  221    HA   LYS 276           HA       LYS 276  34.213  -0.124  -4.808
  222   1HB   LYS 276          1HB       LYS 276  31.532  -0.509  -6.123
  223   2HB   LYS 276          2HB       LYS 276  32.429  -1.874  -5.457
  224   1HG   LYS 276          1HG       LYS 276  32.179  -1.159  -3.280
  225   2HG   LYS 276          2HG       LYS 276  32.145   0.544  -3.734
  226   1HD   LYS 276          1HD       LYS 276  29.924  -0.238  -2.955
  227   2HD   LYS 276          2HD       LYS 276  29.878   0.280  -4.640
  228   1HE   LYS 276          1HE       LYS 276  30.544  -2.571  -4.229
  229   2HE   LYS 276          2HE       LYS 276  28.905  -2.113  -3.765
  230   1HZ   LYS 276          1HZ       LYS 276  29.775  -0.983  -6.267
  231   2HZ   LYS 276          2HZ       LYS 276  28.323  -1.772  -5.877
  232   3HZ   LYS 276          3HZ       LYS 276  29.703  -2.678  -6.279
  233   1HN   NH2 277          1HN       NH2 277  34.434   0.871  -7.943
  234   2HN   NH2 277          2HN       NH2 277  35.110  -0.530  -8.643
  Start of MODEL   32
    1   1H    HIS 250          1H        HIS 250  59.825  -4.634   8.289
    2   2H    HIS 250          2H        HIS 250  59.568  -3.652   6.926
    3   3H    HIS 250          3H        HIS 250  58.673  -3.392   8.346
    4    HA   HIS 250           HA       HIS 250  61.289  -3.233   9.151
    5   1HB   HIS 250          1HB       HIS 250  61.295  -2.874   6.410
    6   2HB   HIS 250          2HB       HIS 250  61.182  -1.222   7.017
    7    HD2  HIS 250           HD2      HIS 250  63.161  -1.364   9.594
    8    HE1  HIS 250           HE1      HIS 250  66.019  -2.994   6.948
    9    HE2  HIS 250           HE2      HIS 250  65.691  -1.885   9.208
   10    H    ILE 251           H        ILE 251  61.302  -1.623  10.636
   11    HA   ILE 251           HA       ILE 251  58.886  -0.059  10.969
   12    HB   ILE 251           HB       ILE 251  61.442  -0.132  12.593
   13   1HG1  ILE 251          1HG1      ILE 251  59.267  -1.242  13.996
   14   2HG1  ILE 251          2HG1      ILE 251  59.169  -1.920  12.370
   15   1HG2  ILE 251          1HG2      ILE 251  58.927   1.433  12.772
   16   2HG2  ILE 251          2HG2      ILE 251  60.535   1.810  13.391
   17   3HG2  ILE 251          3HG2      ILE 251  59.486   0.706  14.279
   18   1HD1  ILE 251          1HD1      ILE 251  61.628  -2.472  12.546
   19   2HD1  ILE 251          2HD1      ILE 251  60.600  -3.368  13.664
   20   3HD1  ILE 251          3HD1      ILE 251  61.548  -1.997  14.242
   21    H    ASN 252           H        ASN 252  61.191   0.356   8.858
   22    HA   ASN 252           HA       ASN 252  61.890   3.137   9.412
   23   1HB   ASN 252          1HB       ASN 252  63.669   2.701   8.124
   24   2HB   ASN 252          2HB       ASN 252  63.105   1.037   7.990
   25   1HD2  ASN 252          1HD2      ASN 252  61.610   0.554   6.124
   26   2HD2  ASN 252          2HD2      ASN 252  61.717   1.503   4.722
   27    H    GLU 253           H        GLU 253  59.839   1.247   7.264
   28    HA   GLU 253           HA       GLU 253  58.989   3.651   5.831
   29   1HB   GLU 253          1HB       GLU 253  57.687   2.076   4.442
   30   2HB   GLU 253          2HB       GLU 253  59.394   1.636   4.507
   31   1HG   GLU 253          1HG       GLU 253  58.316   0.313   6.696
   32   2HG   GLU 253          2HG       GLU 253  57.060   0.158   5.470
   33    H    LEU 254           H        LEU 254  58.175   2.016   8.625
   34    HA   LEU 254           HA       LEU 254  55.422   1.866   8.710
   35   1HB   LEU 254          1HB       LEU 254  57.566   2.044  10.629
   36   2HB   LEU 254          2HB       LEU 254  56.188   3.001  11.174
   37    HG   LEU 254           HG       LEU 254  54.700   1.060  10.796
   38   1HD1  LEU 254          1HD1      LEU 254  55.407  -0.571   9.414
   39   2HD1  LEU 254          2HD1      LEU 254  56.569  -1.056  10.649
   40   3HD1  LEU 254          3HD1      LEU 254  57.038   0.098   9.401
   41   1HD2  LEU 254          1HD2      LEU 254  57.026   0.092  12.451
   42   2HD2  LEU 254          2HD2      LEU 254  55.301  -0.076  12.770
   43   3HD2  LEU 254          3HD2      LEU 254  56.084   1.491  12.966
   44    H    LEU 255           H        LEU 255  57.324   4.596   8.149
   45    HA   LEU 255           HA       LEU 255  55.257   6.479   9.046
   46   1HB   LEU 255          1HB       LEU 255  57.494   7.714   7.699
   47   2HB   LEU 255          2HB       LEU 255  56.946   7.923   9.360
   48    HG   LEU 255           HG       LEU 255  58.723   5.676   8.359
   49   1HD1  LEU 255          1HD1      LEU 255  59.756   7.977   8.512
   50   2HD1  LEU 255          2HD1      LEU 255  60.496   6.771   9.564
   51   3HD1  LEU 255          3HD1      LEU 255  59.379   7.959  10.235
   52   1HD2  LEU 255          1HD2      LEU 255  58.774   5.939  11.180
   53   2HD2  LEU 255          2HD2      LEU 255  58.105   4.602  10.245
   54   3HD2  LEU 255          3HD2      LEU 255  57.073   5.954  10.713
   55    H    HIS 256           H        HIS 256  57.027   5.472   6.151
   56    HA   HIS 256           HA       HIS 256  55.476   7.173   4.405
   57   1HB   HIS 256          1HB       HIS 256  57.412   4.934   3.765
   58   2HB   HIS 256          2HB       HIS 256  56.765   6.100   2.610
   59    HD2  HIS 256           HD2      HIS 256  58.881   6.351   5.985
   60    HE1  HIS 256           HE1      HIS 256  60.004   9.490   3.394
   61    HE2  HIS 256           HE2      HIS 256  60.464   8.401   5.642
   62    H    ILE 257           H        ILE 257  56.055   3.707   3.949
   63    HA   ILE 257           HA       ILE 257  53.887   3.050   2.477
   64    HB   ILE 257           HB       ILE 257  55.391   1.542   4.580
   65   1HG1  ILE 257          1HG1      ILE 257  54.909   0.977   1.641
   66   2HG1  ILE 257          2HG1      ILE 257  56.227   1.994   2.220
   67   1HG2  ILE 257          1HG2      ILE 257  53.273   0.542   4.917
   68   2HG2  ILE 257          2HG2      ILE 257  54.028  -0.491   3.706
   69   3HG2  ILE 257          3HG2      ILE 257  52.828   0.704   3.218
   70   1HD1  ILE 257          1HD1      ILE 257  55.965  -0.639   3.556
   71   2HD1  ILE 257          2HD1      ILE 257  57.415   0.221   3.035
   72   3HD1  ILE 257          3HD1      ILE 257  56.459  -0.688   1.864
   73    H    LEU 258           H        LEU 258  53.894   2.724   6.038
   74    HA   LEU 258           HA       LEU 258  51.262   2.099   6.462
   75   1HB   LEU 258          1HB       LEU 258  53.321   2.703   8.094
   76   2HB   LEU 258          2HB       LEU 258  52.353   4.165   8.287
   77    HG   LEU 258           HG       LEU 258  51.366   1.321   8.666
   78   1HD1  LEU 258          1HD1      LEU 258  51.449   3.446  10.785
   79   2HD1  LEU 258          2HD1      LEU 258  52.916   2.541  10.412
   80   3HD1  LEU 258          3HD1      LEU 258  51.473   1.692  10.966
   81   1HD2  LEU 258          1HD2      LEU 258  49.397   2.742   9.683
   82   2HD2  LEU 258          2HD2      LEU 258  49.471   2.483   7.941
   83   3HD2  LEU 258          3HD2      LEU 258  50.023   4.010   8.630
   84    H    VAL 259           H        VAL 259  52.605   5.279   5.722
   85    HA   VAL 259           HA       VAL 259  49.993   6.551   5.997
   86    HB   VAL 259           HB       VAL 259  52.716   7.623   5.232
   87   1HG1  VAL 259          1HG1      VAL 259  51.471   9.232   4.196
   88   2HG1  VAL 259          2HG1      VAL 259  51.199   9.801   5.842
   89   3HG1  VAL 259          3HG1      VAL 259  49.996   8.781   5.052
   90   1HG2  VAL 259          1HG2      VAL 259  52.209   6.918   7.639
   91   2HG2  VAL 259          2HG2      VAL 259  51.009   8.209   7.663
   92   3HG2  VAL 259          3HG2      VAL 259  52.714   8.593   7.421
   93    H    PHE 260           H        PHE 260  52.441   6.241   3.408
   94    HA   PHE 260           HA       PHE 260  51.070   7.294   1.290
   95   1HB   PHE 260          1HB       PHE 260  53.017   5.032   1.517
   96   2HB   PHE 260          2HB       PHE 260  52.237   5.337  -0.035
   97    HD1  PHE 260           HD1      PHE 260  53.648   7.449   2.735
   98    HD2  PHE 260           HD2      PHE 260  53.511   6.647  -1.483
   99    HE1  PHE 260           HE1      PHE 260  55.213   9.328   2.327
  100    HE2  PHE 260           HE2      PHE 260  55.073   8.527  -1.891
  101    HZ   PHE 260           HZ       PHE 260  55.924   9.869   0.014
  102    H    GLY 261           H        GLY 261  50.167   4.577   3.135
  103   1HA   GLY 261          1HA       GLY 261  48.381   3.561   1.022
  104   2HA   GLY 261          2HA       GLY 261  48.816   2.702   2.496
  105    H    GLU 262           H        GLU 262  48.396   4.949   4.274
  106    HA   GLU 262           HA       GLU 262  45.594   4.622   4.725
  107   1HB   GLU 262          1HB       GLU 262  45.938   5.707   6.737
  108   2HB   GLU 262          2HB       GLU 262  47.562   5.108   6.410
  109   1HG   GLU 262          1HG       GLU 262  47.993   7.331   6.937
  110   2HG   GLU 262          2HG       GLU 262  47.862   7.420   5.184
  111    H    SER 263           H        SER 263  47.533   6.972   3.060
  112    HA   SER 263           HA       SER 263  45.575   9.068   3.040
  113   1HB   SER 263          1HB       SER 263  47.034   9.952   1.155
  114   2HB   SER 263          2HB       SER 263  47.843   9.715   2.702
  115    HG   SER 263           HG       SER 263  47.849   7.979   0.453
  116    H    LEU 264           H        LEU 264  45.964   6.130   1.343
  117    HA   LEU 264           HA       LEU 264  44.478   6.971  -1.011
  118   1HB   LEU 264          1HB       LEU 264  45.149   4.135  -0.233
  119   2HB   LEU 264          2HB       LEU 264  44.861   4.788  -1.846
  120    HG   LEU 264           HG       LEU 264  47.207   5.468  -0.049
  121   1HD1  LEU 264          1HD1      LEU 264  47.291   4.119  -2.745
  122   2HD1  LEU 264          2HD1      LEU 264  47.080   3.181  -1.266
  123   3HD1  LEU 264          3HD1      LEU 264  48.534   4.155  -1.494
  124   1HD2  LEU 264          1HD2      LEU 264  46.185   6.566  -2.648
  125   2HD2  LEU 264          2HD2      LEU 264  47.927   6.493  -2.381
  126   3HD2  LEU 264          3HD2      LEU 264  46.905   7.420  -1.282
  127    H    LEU 265           H        LEU 265  43.959   4.987   1.879
  128    HA   LEU 265           HA       LEU 265  41.303   4.195   1.182
  129   1HB   LEU 265          1HB       LEU 265  42.519   4.324   3.948
  130   2HB   LEU 265          2HB       LEU 265  41.172   3.316   3.416
  131    HG   LEU 265           HG       LEU 265  44.024   3.130   2.399
  132   1HD1  LEU 265          1HD1      LEU 265  42.640   1.954   4.663
  133   2HD1  LEU 265          2HD1      LEU 265  44.343   1.838   4.218
  134   3HD1  LEU 265          3HD1      LEU 265  43.175   0.706   3.536
  135   1HD2  LEU 265          1HD2      LEU 265  42.941   0.911   1.481
  136   2HD2  LEU 265          2HD2      LEU 265  42.721   2.419   0.593
  137   3HD2  LEU 265          3HD2      LEU 265  41.432   1.811   1.633
  138    H    ASN 266           H        ASN 266  42.516   7.172   1.921
  139    HA   ASN 266           HA       ASN 266  40.254   8.082   3.530
  140   1HB   ASN 266          1HB       ASN 266  42.836   9.292   2.607
  141   2HB   ASN 266          2HB       ASN 266  41.518  10.344   3.123
  142   1HD2  ASN 266          1HD2      ASN 266  42.407   7.117   4.431
  143   2HD2  ASN 266          2HD2      ASN 266  42.717   7.677   6.003
  144    H    ASP 267           H        ASP 267  41.704   8.787   0.350
  145    HA   ASP 267           HA       ASP 267  39.439  10.404  -0.448
  146   1HB   ASP 267          1HB       ASP 267  40.767  11.102  -2.141
  147   2HB   ASP 267          2HB       ASP 267  42.058  10.341  -1.212
  148    H    ALA 268           H        ALA 268  39.886   7.153  -0.145
  149    HA   ALA 268           HA       ALA 268  38.409   6.403  -2.562
  150   1HB   ALA 268          1HB       ALA 268  40.393   5.075  -1.712
  151   2HB   ALA 268          2HB       ALA 268  38.925   4.140  -1.997
  152   3HB   ALA 268          3HB       ALA 268  39.382   4.586  -0.353
  153    H    VAL 269           H        VAL 269  38.128   5.970   0.969
  154    HA   VAL 269           HA       VAL 269  35.633   4.797   1.097
  155    HB   VAL 269           HB       VAL 269  37.063   5.134   3.061
  156   1HG1  VAL 269          1HG1      VAL 269  37.909   7.162   3.551
  157   2HG1  VAL 269          2HG1      VAL 269  36.286   7.835   3.705
  158   3HG1  VAL 269          3HG1      VAL 269  37.087   7.812   2.134
  159   1HG2  VAL 269          1HG2      VAL 269  34.439   4.988   3.110
  160   2HG2  VAL 269          2HG2      VAL 269  34.539   6.672   3.627
  161   3HG2  VAL 269          3HG2      VAL 269  35.308   5.407   4.586
  162    H    THR 270           H        THR 270  36.438   8.041   0.198
  163    HA   THR 270           HA       THR 270  33.688   8.979   0.544
  164    HB   THR 270           HB       THR 270  35.587  10.470   1.127
  165    HG1  THR 270           HG1      THR 270  33.543  11.264   0.332
  166   1HG2  THR 270          1HG2      THR 270  36.143  10.864  -1.783
  167   2HG2  THR 270          2HG2      THR 270  36.879   9.480  -0.976
  168   3HG2  THR 270          3HG2      THR 270  37.202  11.112  -0.394
  169    H    VAL 271           H        VAL 271  35.238   7.155  -1.680
  170    HA   VAL 271           HA       VAL 271  33.462   8.090  -3.838
  171    HB   VAL 271           HB       VAL 271  36.420   7.557  -4.006
  172   1HG1  VAL 271          1HG1      VAL 271  35.717   6.239  -5.801
  173   2HG1  VAL 271          2HG1      VAL 271  35.880   7.820  -6.565
  174   3HG1  VAL 271          3HG1      VAL 271  34.286   7.227  -6.096
  175   1HG2  VAL 271          1HG2      VAL 271  35.064   9.878  -3.752
  176   2HG2  VAL 271          2HG2      VAL 271  34.999   9.701  -5.506
  177   3HG2  VAL 271          3HG2      VAL 271  36.557   9.749  -4.681
  178    H    VAL 272           H        VAL 272  35.744   5.491  -2.951
  179    HA   VAL 272           HA       VAL 272  34.467   3.514  -4.539
  180    HB   VAL 272           HB       VAL 272  36.276   3.207  -2.132
  181   1HG1  VAL 272          1HG1      VAL 272  35.434   1.070  -2.346
  182   2HG1  VAL 272          2HG1      VAL 272  36.697   0.992  -3.576
  183   3HG1  VAL 272          3HG1      VAL 272  35.024   1.290  -4.047
  184   1HG2  VAL 272          1HG2      VAL 272  36.828   3.220  -5.117
  185   2HG2  VAL 272          2HG2      VAL 272  38.020   2.856  -3.869
  186   3HG2  VAL 272          3HG2      VAL 272  37.312   4.468  -3.969
  187    H    LEU 273           H        LEU 273  33.305   5.090  -1.890
  188    HA   LEU 273           HA       LEU 273  31.976   2.756  -0.721
  189   1HB   LEU 273          1HB       LEU 273  32.994   4.444   0.781
  190   2HB   LEU 273          2HB       LEU 273  31.902   5.661   0.130
  191    HG   LEU 273           HG       LEU 273  29.961   4.311   0.902
  192   1HD1  LEU 273          1HD1      LEU 273  32.176   2.453   1.673
  193   2HD1  LEU 273          2HD1      LEU 273  30.573   2.084   1.036
  194   3HD1  LEU 273          3HD1      LEU 273  30.766   2.543   2.727
  195   1HD2  LEU 273          1HD2      LEU 273  30.138   5.617   2.725
  196   2HD2  LEU 273          2HD2      LEU 273  31.887   5.705   2.516
  197   3HD2  LEU 273          3HD2      LEU 273  31.179   4.401   3.466
  198    H    TYR 274           H        TYR 274  30.571   5.985  -1.036
  199    HA   TYR 274           HA       TYR 274  28.177   4.757  -2.208
  200   1HB   TYR 274          1HB       TYR 274  27.111   6.946  -1.647
  201   2HB   TYR 274          2HB       TYR 274  27.778   6.110  -0.245
  202    HD1  TYR 274           HD1      TYR 274  28.012   9.040  -2.402
  203    HD2  TYR 274           HD2      TYR 274  29.962   6.835   0.725
  204    HE1  TYR 274           HE1      TYR 274  29.448  11.002  -1.914
  205    HE2  TYR 274           HE2      TYR 274  31.400   8.795   1.213
  206    HH   TYR 274           HH       TYR 274  30.940  11.581   0.704
  207    H    LYS 275           H        LYS 275  30.294   7.578  -2.731
  208    HA   LYS 275           HA       LYS 275  29.118   8.418  -5.147
  209   1HB   LYS 275          1HB       LYS 275  31.395   9.127  -3.545
  210   2HB   LYS 275          2HB       LYS 275  31.863   9.072  -5.245
  211   1HG   LYS 275          1HG       LYS 275  29.415  10.538  -4.214
  212   2HG   LYS 275          2HG       LYS 275  30.974  11.310  -4.503
  213   1HD   LYS 275          1HD       LYS 275  30.587  11.426  -6.718
  214   2HD   LYS 275          2HD       LYS 275  30.176   9.713  -6.791
  215   1HE   LYS 275          1HE       LYS 275  27.893  10.166  -6.125
  216   2HE   LYS 275          2HE       LYS 275  28.274  11.860  -5.816
  217   1HZ   LYS 275          1HZ       LYS 275  27.476  10.687  -8.218
  218   2HZ   LYS 275          2HZ       LYS 275  29.078  11.215  -8.423
  219   3HZ   LYS 275          3HZ       LYS 275  27.876  12.310  -7.930
  220    H    LYS 276           H        LYS 276  30.420   5.505  -4.615
  221    HA   LYS 276           HA       LYS 276  32.288   4.712  -6.339
  222   1HB   LYS 276          1HB       LYS 276  29.600   3.523  -5.755
  223   2HB   LYS 276          2HB       LYS 276  30.641   2.763  -6.958
  224   1HG   LYS 276          1HG       LYS 276  32.458   2.606  -5.309
  225   2HG   LYS 276          2HG       LYS 276  31.442   3.394  -4.102
  226   1HD   LYS 276          1HD       LYS 276  30.660   1.360  -3.535
  227   2HD   LYS 276          2HD       LYS 276  29.892   1.277  -5.121
  228   1HE   LYS 276          1HE       LYS 276  31.932   0.299  -6.079
  229   2HE   LYS 276          2HE       LYS 276  32.735   0.414  -4.513
  230   1HZ   LYS 276          1HZ       LYS 276  31.562  -1.780  -5.249
  231   2HZ   LYS 276          2HZ       LYS 276  30.167  -0.993  -4.684
  232   3HZ   LYS 276          3HZ       LYS 276  31.478  -1.260  -3.637
  233   1HN   NH2 277          1HN       NH2 277  28.989   5.616  -7.451
  234   2HN   NH2 277          2HN       NH2 277  29.424   5.744  -9.097
  Start of MODEL   33
    1   1H    HIS 250          1H        HIS 250  35.072  -6.914 -11.663
    2   2H    HIS 250          2H        HIS 250  36.075  -5.645 -12.182
    3   3H    HIS 250          3H        HIS 250  35.188  -5.495 -10.741
    4    HA   HIS 250           HA       HIS 250  36.671  -6.624  -9.532
    5   1HB   HIS 250          1HB       HIS 250  36.014  -8.715 -10.746
    6   2HB   HIS 250          2HB       HIS 250  37.243  -8.349 -11.958
    7    HD2  HIS 250           HD2      HIS 250  38.865  -7.298  -8.783
    8    HE1  HIS 250           HE1      HIS 250  39.726 -11.423  -9.036
    9    HE2  HIS 250           HE2      HIS 250  40.325  -9.254  -7.857
   10    H    ILE 251           H        ILE 251  37.571  -4.397  -9.950
   11    HA   ILE 251           HA       ILE 251  39.702  -4.097 -11.853
   12    HB   ILE 251           HB       ILE 251  39.263  -2.371  -9.421
   13   1HG1  ILE 251          1HG1      ILE 251  37.068  -2.589 -10.378
   14   2HG1  ILE 251          2HG1      ILE 251  37.717  -1.054 -10.954
   15   1HG2  ILE 251          1HG2      ILE 251  40.045  -1.579 -12.229
   16   2HG2  ILE 251          2HG2      ILE 251  41.244  -2.118 -11.053
   17   3HG2  ILE 251          3HG2      ILE 251  40.280  -0.677 -10.732
   18   1HD1  ILE 251          1HD1      ILE 251  36.829  -2.060 -12.900
   19   2HD1  ILE 251          2HD1      ILE 251  37.443  -3.653 -12.460
   20   3HD1  ILE 251          3HD1      ILE 251  38.557  -2.397 -12.999
   21    H    ASN 252           H        ASN 252  41.917  -4.029 -11.469
   22    HA   ASN 252           HA       ASN 252  42.853  -5.778  -9.376
   23   1HB   ASN 252          1HB       ASN 252  44.325  -4.174 -11.477
   24   2HB   ASN 252          2HB       ASN 252  45.093  -5.315 -10.374
   25   1HD2  ASN 252          1HD2      ASN 252  43.241  -5.031 -13.312
   26   2HD2  ASN 252          2HD2      ASN 252  43.115  -6.694 -13.628
   27    H    GLU 253           H        GLU 253  42.113  -2.524  -9.490
   28    HA   GLU 253           HA       GLU 253  44.190  -1.264  -8.114
   29   1HB   GLU 253          1HB       GLU 253  42.563   0.413  -7.482
   30   2HB   GLU 253          2HB       GLU 253  42.217  -0.115  -9.129
   31   1HG   GLU 253          1HG       GLU 253  40.103  -0.442  -8.379
   32   2HG   GLU 253          2HG       GLU 253  40.753  -1.905  -7.640
   33    H    LEU 254           H        LEU 254  42.376  -3.858  -7.097
   34    HA   LEU 254           HA       LEU 254  41.915  -3.281  -4.370
   35   1HB   LEU 254          1HB       LEU 254  41.947  -5.667  -6.093
   36   2HB   LEU 254          2HB       LEU 254  42.373  -5.989  -4.413
   37    HG   LEU 254           HG       LEU 254  39.905  -6.152  -4.895
   38   1HD1  LEU 254          1HD1      LEU 254  39.697  -5.678  -2.707
   39   2HD1  LEU 254          2HD1      LEU 254  39.746  -3.953  -3.067
   40   3HD1  LEU 254          3HD1      LEU 254  41.242  -4.829  -2.748
   41   1HD2  LEU 254          1HD2      LEU 254  39.633  -3.209  -4.897
   42   2HD2  LEU 254          2HD2      LEU 254  38.729  -4.424  -5.799
   43   3HD2  LEU 254          3HD2      LEU 254  40.306  -3.889  -6.379
   44    H    LEU 255           H        LEU 255  44.772  -4.115  -6.144
   45    HA   LEU 255           HA       LEU 255  46.282  -4.767  -3.728
   46   1HB   LEU 255          1HB       LEU 255  46.980  -4.716  -6.667
   47   2HB   LEU 255          2HB       LEU 255  48.183  -4.988  -5.407
   48    HG   LEU 255           HG       LEU 255  46.872  -6.913  -4.574
   49   1HD1  LEU 255          1HD1      LEU 255  45.079  -7.697  -6.347
   50   2HD1  LEU 255          2HD1      LEU 255  45.009  -5.978  -6.735
   51   3HD1  LEU 255          3HD1      LEU 255  44.636  -6.530  -5.101
   52   1HD2  LEU 255          1HD2      LEU 255  47.272  -7.187  -7.562
   53   2HD2  LEU 255          2HD2      LEU 255  47.478  -8.425  -6.323
   54   3HD2  LEU 255          3HD2      LEU 255  48.626  -7.090  -6.434
   55    H    HIS 256           H        HIS 256  45.696  -2.115  -5.884
   56    HA   HIS 256           HA       HIS 256  48.001  -0.564  -5.353
   57   1HB   HIS 256          1HB       HIS 256  45.249   0.010  -6.383
   58   2HB   HIS 256          2HB       HIS 256  46.298   1.357  -5.936
   59    HD2  HIS 256           HD2      HIS 256  47.888  -1.825  -7.603
   60    HE1  HIS 256           HE1      HIS 256  48.034   1.333 -10.402
   61    HE2  HIS 256           HE2      HIS 256  48.785  -1.047  -9.930
   62    H    ILE 257           H        ILE 257  44.714   0.193  -4.205
   63    HA   ILE 257           HA       ILE 257  45.344   1.956  -2.212
   64    HB   ILE 257           HB       ILE 257  43.032   1.145  -3.006
   65   1HG1  ILE 257          1HG1      ILE 257  42.298   1.397  -0.382
   66   2HG1  ILE 257          2HG1      ILE 257  43.928   2.068  -0.345
   67   1HG2  ILE 257          1HG2      ILE 257  42.034  -0.681  -1.895
   68   2HG2  ILE 257          2HG2      ILE 257  43.267  -0.703  -0.635
   69   3HG2  ILE 257          3HG2      ILE 257  43.658  -1.263  -2.261
   70   1HD1  ILE 257          1HD1      ILE 257  42.375   3.867  -0.837
   71   2HD1  ILE 257          2HD1      ILE 257  41.652   2.936  -2.148
   72   3HD1  ILE 257          3HD1      ILE 257  43.308   3.523  -2.294
   73    H    LEU 258           H        LEU 258  46.047  -1.397  -2.302
   74    HA   LEU 258           HA       LEU 258  46.247  -1.812   0.537
   75   1HB   LEU 258          1HB       LEU 258  46.190  -3.459  -1.682
   76   2HB   LEU 258          2HB       LEU 258  47.865  -3.577  -1.141
   77    HG   LEU 258           HG       LEU 258  45.409  -4.004   0.589
   78   1HD1  LEU 258          1HD1      LEU 258  46.219  -5.767  -1.192
   79   2HD1  LEU 258          2HD1      LEU 258  45.821  -6.297   0.442
   80   3HD1  LEU 258          3HD1      LEU 258  47.506  -6.066  -0.022
   81   1HD2  LEU 258          1HD2      LEU 258  48.300  -3.640   1.162
   82   2HD2  LEU 258          2HD2      LEU 258  47.517  -4.981   1.998
   83   3HD2  LEU 258          3HD2      LEU 258  46.902  -3.339   2.194
   84    H    VAL 259           H        VAL 259  48.540  -1.140  -2.089
   85    HA   VAL 259           HA       VAL 259  50.954  -1.379  -0.809
   86    HB   VAL 259           HB       VAL 259  50.156   0.865  -2.681
   87   1HG1  VAL 259          1HG1      VAL 259  52.624   0.183  -1.335
   88   2HG1  VAL 259          2HG1      VAL 259  52.284   1.548  -2.399
   89   3HG1  VAL 259          3HG1      VAL 259  52.818   0.011  -3.079
   90   1HG2  VAL 259          1HG2      VAL 259  50.119  -0.660  -4.344
   91   2HG2  VAL 259          2HG2      VAL 259  50.144  -1.914  -3.104
   92   3HG2  VAL 259          3HG2      VAL 259  51.654  -1.350  -3.818
   93    H    PHE 260           H        PHE 260  49.690   1.894  -1.270
   94    HA   PHE 260           HA       PHE 260  50.974   2.801   1.147
   95   1HB   PHE 260          1HB       PHE 260  49.615   4.949   0.467
   96   2HB   PHE 260          2HB       PHE 260  51.010   4.445  -0.490
   97    HD1  PHE 260           HD1      PHE 260  47.355   4.727  -0.385
   98    HD2  PHE 260           HD2      PHE 260  50.710   3.299  -2.655
   99    HE1  PHE 260           HE1      PHE 260  45.900   4.477  -2.378
  100    HE2  PHE 260           HE2      PHE 260  49.256   3.049  -4.648
  101    HZ   PHE 260           HZ       PHE 260  46.851   3.638  -4.509
  102    H    GLY 261           H        GLY 261  47.582   2.801   0.025
  103   1HA   GLY 261          1HA       GLY 261  45.595   2.713   1.177
  104   2HA   GLY 261          2HA       GLY 261  46.470   1.781   2.387
  105    H    GLU 262           H        GLU 262  47.763   3.033   3.968
  106    HA   GLU 262           HA       GLU 262  46.354   4.748   5.511
  107   1HB   GLU 262          1HB       GLU 262  49.330   5.041   5.060
  108   2HB   GLU 262          2HB       GLU 262  48.424   5.475   6.510
  109   1HG   GLU 262          1HG       GLU 262  47.744   2.804   6.033
  110   2HG   GLU 262          2HG       GLU 262  49.475   2.884   5.706
  111    H    SER 263           H        SER 263  47.988   5.554   2.533
  112    HA   SER 263           HA       SER 263  47.894   8.400   2.904
  113   1HB   SER 263          1HB       SER 263  49.517   7.297   1.389
  114   2HB   SER 263          2HB       SER 263  48.184   6.804   0.348
  115    HG   SER 263           HG       SER 263  48.224   8.728  -0.474
  116    H    LEU 264           H        LEU 264  46.384   6.669   0.207
  117    HA   LEU 264           HA       LEU 264  44.274   8.574  -0.011
  118   1HB   LEU 264          1HB       LEU 264  44.259   5.806  -1.209
  119   2HB   LEU 264          2HB       LEU 264  43.502   7.271  -1.833
  120    HG   LEU 264           HG       LEU 264  46.466   6.669  -1.666
  121   1HD1  LEU 264          1HD1      LEU 264  45.221   7.627  -4.163
  122   2HD1  LEU 264          2HD1      LEU 264  44.640   6.053  -3.620
  123   3HD1  LEU 264          3HD1      LEU 264  46.361   6.306  -3.908
  124   1HD2  LEU 264          1HD2      LEU 264  44.963   9.240  -2.169
  125   2HD2  LEU 264          2HD2      LEU 264  46.571   8.979  -2.845
  126   3HD2  LEU 264          3HD2      LEU 264  46.335   8.963  -1.097
  127    H    LEU 265           H        LEU 265  44.725   6.477   2.383
  128    HA   LEU 265           HA       LEU 265  42.631   4.824   2.791
  129   1HB   LEU 265          1HB       LEU 265  44.517   5.729   4.431
  130   2HB   LEU 265          2HB       LEU 265  43.208   6.756   5.000
  131    HG   LEU 265           HG       LEU 265  43.233   4.745   6.350
  132   1HD1  LEU 265          1HD1      LEU 265  40.967   4.067   6.104
  133   2HD1  LEU 265          2HD1      LEU 265  40.976   4.390   4.372
  134   3HD1  LEU 265          3HD1      LEU 265  41.027   5.729   5.519
  135   1HD2  LEU 265          1HD2      LEU 265  43.725   2.693   5.539
  136   2HD2  LEU 265          2HD2      LEU 265  44.117   3.486   4.014
  137   3HD2  LEU 265          3HD2      LEU 265  42.503   2.825   4.275
  138    H    ASN 266           H        ASN 266  42.442   8.211   3.906
  139    HA   ASN 266           HA       ASN 266  39.689   8.252   4.349
  140   1HB   ASN 266          1HB       ASN 266  40.293  10.838   3.558
  141   2HB   ASN 266          2HB       ASN 266  40.425  10.200   5.195
  142   1HD2  ASN 266          1HD2      ASN 266  42.324  10.617   2.176
  143   2HD2  ASN 266          2HD2      ASN 266  43.832  10.661   2.954
  144    H    ASP 267           H        ASP 267  41.517   8.586   1.394
  145    HA   ASP 267           HA       ASP 267  39.173   9.451  -0.121
  146   1HB   ASP 267          1HB       ASP 267  41.808  10.014  -0.423
  147   2HB   ASP 267          2HB       ASP 267  41.638   8.670  -1.551
  148    H    ALA 268           H        ALA 268  40.212   6.592   1.079
  149    HA   ALA 268           HA       ALA 268  39.984   4.857  -1.177
  150   1HB   ALA 268          1HB       ALA 268  41.091   4.362   1.083
  151   2HB   ALA 268          2HB       ALA 268  40.106   3.078   0.380
  152   3HB   ALA 268          3HB       ALA 268  39.460   4.071   1.688
  153    H    VAL 269           H        VAL 269  37.754   5.687   1.478
  154    HA   VAL 269           HA       VAL 269  35.581   4.131   0.706
  155    HB   VAL 269           HB       VAL 269  35.689   5.354   2.839
  156   1HG1  VAL 269          1HG1      VAL 269  35.413   7.738   2.944
  157   2HG1  VAL 269          2HG1      VAL 269  35.072   7.836   1.217
  158   3HG1  VAL 269          3HG1      VAL 269  36.696   7.431   1.774
  159   1HG2  VAL 269          1HG2      VAL 269  33.296   6.645   1.778
  160   2HG2  VAL 269          2HG2      VAL 269  33.429   5.319   2.931
  161   3HG2  VAL 269          3HG2      VAL 269  33.455   4.987   1.200
  162    H    THR 270           H        THR 270  36.824   7.078  -0.660
  163    HA   THR 270           HA       THR 270  34.428   7.483  -2.291
  164    HB   THR 270           HB       THR 270  37.004   9.065  -2.321
  165    HG1  THR 270           HG1      THR 270  35.363  10.470  -1.061
  166   1HG2  THR 270          1HG2      THR 270  35.616  10.792  -3.325
  167   2HG2  THR 270          2HG2      THR 270  34.177   9.789  -3.135
  168   3HG2  THR 270          3HG2      THR 270  35.446   9.306  -4.261
  169    H    VAL 271           H        VAL 271  37.940   7.134  -2.850
  170    HA   VAL 271           HA       VAL 271  37.885   6.835  -5.605
  171    HB   VAL 271           HB       VAL 271  39.725   5.572  -3.565
  172   1HG1  VAL 271          1HG1      VAL 271  39.751   5.593  -6.578
  173   2HG1  VAL 271          2HG1      VAL 271  40.060   4.247  -5.480
  174   3HG1  VAL 271          3HG1      VAL 271  41.261   5.523  -5.669
  175   1HG2  VAL 271          1HG2      VAL 271  40.473   7.795  -5.418
  176   2HG2  VAL 271          2HG2      VAL 271  41.018   7.479  -3.771
  177   3HG2  VAL 271          3HG2      VAL 271  39.427   8.185  -4.054
  178    H    VAL 272           H        VAL 272  37.625   4.305  -3.116
  179    HA   VAL 272           HA       VAL 272  37.371   2.150  -4.949
  180    HB   VAL 272           HB       VAL 272  36.462   2.379  -2.070
  181   1HG1  VAL 272          1HG1      VAL 272  35.401   0.436  -2.625
  182   2HG1  VAL 272          2HG1      VAL 272  37.021  -0.253  -2.524
  183   3HG1  VAL 272          3HG1      VAL 272  36.358   0.216  -4.090
  184   1HG2  VAL 272          1HG2      VAL 272  39.054   2.248  -3.287
  185   2HG2  VAL 272          2HG2      VAL 272  38.751   0.718  -2.464
  186   3HG2  VAL 272          3HG2      VAL 272  38.654   2.234  -1.569
  187    H    LEU 273           H        LEU 273  35.189   4.585  -3.902
  188    HA   LEU 273           HA       LEU 273  32.848   3.009  -4.737
  189   1HB   LEU 273          1HB       LEU 273  32.857   4.317  -2.563
  190   2HB   LEU 273          2HB       LEU 273  32.848   5.781  -3.543
  191    HG   LEU 273           HG       LEU 273  30.826   4.520  -4.747
  192   1HD1  LEU 273          1HD1      LEU 273  31.312   2.593  -3.006
  193   2HD1  LEU 273          2HD1      LEU 273  29.650   3.014  -3.419
  194   3HD1  LEU 273          3HD1      LEU 273  30.366   3.615  -1.924
  195   1HD2  LEU 273          1HD2      LEU 273  30.760   6.056  -2.136
  196   2HD2  LEU 273          2HD2      LEU 273  29.305   5.675  -3.059
  197   3HD2  LEU 273          3HD2      LEU 273  30.557   6.697  -3.767
  198    H    TYR 274           H        TYR 274  33.917   6.388  -5.145
  199    HA   TYR 274           HA       TYR 274  32.379   6.970  -7.395
  200   1HB   TYR 274          1HB       TYR 274  34.902   8.090  -6.242
  201   2HB   TYR 274          2HB       TYR 274  34.371   8.637  -7.831
  202    HD1  TYR 274           HD1      TYR 274  32.905   7.935  -4.445
  203    HD2  TYR 274           HD2      TYR 274  32.953  10.486  -7.901
  204    HE1  TYR 274           HE1      TYR 274  31.239   9.425  -3.368
  205    HE2  TYR 274           HE2      TYR 274  31.289  11.976  -6.823
  206    HH   TYR 274           HH       TYR 274  30.414  11.643  -3.484
  207    H    LYS 275           H        LYS 275  35.888   6.871  -7.704
  208    HA   LYS 275           HA       LYS 275  35.865   6.181 -10.429
  209   1HB   LYS 275          1HB       LYS 275  38.167   5.551  -8.600
  210   2HB   LYS 275          2HB       LYS 275  38.203   6.099 -10.277
  211   1HG   LYS 275          1HG       LYS 275  36.852   8.159  -9.109
  212   2HG   LYS 275          2HG       LYS 275  37.910   7.672  -7.786
  213   1HD   LYS 275          1HD       LYS 275  39.218   9.230  -8.973
  214   2HD   LYS 275          2HD       LYS 275  39.792   7.676  -9.578
  215   1HE   LYS 275          1HE       LYS 275  39.388   8.593 -11.624
  216   2HE   LYS 275          2HE       LYS 275  37.714   8.155 -11.285
  217   1HZ   LYS 275          1HZ       LYS 275  38.087  10.518 -11.961
  218   2HZ   LYS 275          2HZ       LYS 275  38.903  10.751 -10.490
  219   3HZ   LYS 275          3HZ       LYS 275  37.261  10.317 -10.495
  220    H    LYS 276           H        LYS 276  35.553   4.219  -7.603
  221    HA   LYS 276           HA       LYS 276  35.591   1.954  -7.268
  222   1HB   LYS 276          1HB       LYS 276  33.569   2.585  -8.864
  223   2HB   LYS 276          2HB       LYS 276  34.481   1.616 -10.021
  224   1HG   LYS 276          1HG       LYS 276  33.311  -0.095  -9.051
  225   2HG   LYS 276          2HG       LYS 276  34.622  -0.014  -7.879
  226   1HD   LYS 276          1HD       LYS 276  32.740   0.071  -6.496
  227   2HD   LYS 276          2HD       LYS 276  33.110   1.781  -6.712
  228   1HE   LYS 276          1HE       LYS 276  31.524   1.427  -8.853
  229   2HE   LYS 276          2HE       LYS 276  30.852   0.179  -7.805
  230   1HZ   LYS 276          1HZ       LYS 276  29.837   1.726  -6.617
  231   2HZ   LYS 276          2HZ       LYS 276  30.395   2.915  -7.694
  232   3HZ   LYS 276          3HZ       LYS 276  31.303   2.524  -6.312
  233   1HN   NH2 277          1HN       NH2 277  37.908   3.193  -9.021
  234   2HN   NH2 277          2HN       NH2 277  38.628   1.804  -9.703
  Start of MODEL   34
    1   1H    HIS 250          1H        HIS 250  47.925  -7.119  15.314
    2   2H    HIS 250          2H        HIS 250  48.955  -6.556  14.086
    3   3H    HIS 250          3H        HIS 250  47.771  -5.530  14.744
    4    HA   HIS 250           HA       HIS 250  49.216  -6.332  16.919
    5   1HB   HIS 250          1HB       HIS 250  50.794  -6.769  14.629
    6   2HB   HIS 250          2HB       HIS 250  51.375  -5.253  15.318
    7    HD2  HIS 250           HD2      HIS 250  51.503  -5.721  18.424
    8    HE1  HIS 250           HE1      HIS 250  53.166  -9.529  17.678
    9    HE2  HIS 250           HE2      HIS 250  52.818  -7.736  19.441
   10    H    ILE 251           H        ILE 251  50.447  -4.392  17.794
   11    HA   ILE 251           HA       ILE 251  49.222  -1.892  16.788
   12    HB   ILE 251           HB       ILE 251  49.692  -1.223  19.307
   13   1HG1  ILE 251          1HG1      ILE 251  50.641  -3.716  19.503
   14   2HG1  ILE 251          2HG1      ILE 251  49.799  -2.943  20.842
   15   1HG2  ILE 251          1HG2      ILE 251  47.383  -2.809  18.182
   16   2HG2  ILE 251          2HG2      ILE 251  47.497  -1.069  18.438
   17   3HG2  ILE 251          3HG2      ILE 251  47.345  -2.153  19.820
   18   1HD1  ILE 251          1HD1      ILE 251  49.050  -5.327  20.196
   19   2HD1  ILE 251          2HD1      ILE 251  48.303  -4.578  18.788
   20   3HD1  ILE 251          3HD1      ILE 251  47.787  -4.115  20.408
   21    H    ASN 252           H        ASN 252  51.992  -3.446  16.637
   22    HA   ASN 252           HA       ASN 252  53.771  -1.320  17.559
   23   1HB   ASN 252          1HB       ASN 252  54.308  -4.005  16.273
   24   2HB   ASN 252          2HB       ASN 252  55.566  -2.870  16.760
   25   1HD2  ASN 252          1HD2      ASN 252  52.508  -3.755  18.448
   26   2HD2  ASN 252          2HD2      ASN 252  53.276  -4.288  19.864
   27    H    GLU 253           H        GLU 253  52.411  -2.596  14.603
   28    HA   GLU 253           HA       GLU 253  54.164  -0.941  12.949
   29   1HB   GLU 253          1HB       GLU 253  51.930  -2.822  12.151
   30   2HB   GLU 253          2HB       GLU 253  53.076  -2.043  11.058
   31   1HG   GLU 253          1HG       GLU 253  54.645  -3.604  11.470
   32   2HG   GLU 253          2HG       GLU 253  54.464  -3.404  13.211
   33    H    LEU 254           H        LEU 254  51.543  -0.361  14.762
   34    HA   LEU 254           HA       LEU 254  49.560   0.809  13.288
   35   1HB   LEU 254          1HB       LEU 254  50.321   0.844  15.955
   36   2HB   LEU 254          2HB       LEU 254  50.370   2.545  15.490
   37    HG   LEU 254           HG       LEU 254  48.068   2.192  14.447
   38   1HD1  LEU 254          1HD1      LEU 254  48.640  -0.481  15.007
   39   2HD1  LEU 254          2HD1      LEU 254  47.070   0.166  14.532
   40   3HD1  LEU 254          3HD1      LEU 254  47.463  -0.029  16.240
   41   1HD2  LEU 254          1HD2      LEU 254  48.454   3.310  16.642
   42   2HD2  LEU 254          2HD2      LEU 254  48.315   1.744  17.438
   43   3HD2  LEU 254          3HD2      LEU 254  46.926   2.433  16.600
   44    H    LEU 255           H        LEU 255  52.835   1.694  13.278
   45    HA   LEU 255           HA       LEU 255  52.314   4.430  12.373
   46   1HB   LEU 255          1HB       LEU 255  55.021   3.998  12.072
   47   2HB   LEU 255          2HB       LEU 255  54.259   4.709  13.492
   48    HG   LEU 255           HG       LEU 255  54.618   1.719  13.152
   49   1HD1  LEU 255          1HD1      LEU 255  56.561   3.804  13.862
   50   2HD1  LEU 255          2HD1      LEU 255  56.832   2.121  13.410
   51   3HD1  LEU 255          3HD1      LEU 255  56.422   2.532  15.076
   52   1HD2  LEU 255          1HD2      LEU 255  53.538   1.590  15.131
   53   2HD2  LEU 255          2HD2      LEU 255  53.178   3.310  14.995
   54   3HD2  LEU 255          3HD2      LEU 255  54.624   2.778  15.850
   55    H    HIS 256           H        HIS 256  53.415   1.307  11.197
   56    HA   HIS 256           HA       HIS 256  53.782   2.387   8.494
   57   1HB   HIS 256          1HB       HIS 256  54.287  -0.425   9.478
   58   2HB   HIS 256          2HB       HIS 256  54.853   0.299   7.972
   59    HD2  HIS 256           HD2      HIS 256  55.807   0.223  11.751
   60    HE1  HIS 256           HE1      HIS 256  58.581   2.731   9.790
   61    HE2  HIS 256           HE2      HIS 256  58.038   1.565  11.979
   62    H    ILE 257           H        ILE 257  52.461  -0.720   9.626
   63    HA   ILE 257           HA       ILE 257  50.875  -1.359   7.536
   64    HB   ILE 257           HB       ILE 257  51.193  -2.589   9.785
   65   1HG1  ILE 257          1HG1      ILE 257  48.497  -2.558   8.391
   66   2HG1  ILE 257          2HG1      ILE 257  49.909  -3.485   7.883
   67   1HG2  ILE 257          1HG2      ILE 257  49.567  -2.257  11.473
   68   2HG2  ILE 257          2HG2      ILE 257  48.542  -1.291  10.414
   69   3HG2  ILE 257          3HG2      ILE 257  50.057  -0.625  11.021
   70   1HD1  ILE 257          1HD1      ILE 257  48.243  -3.842  10.377
   71   2HD1  ILE 257          2HD1      ILE 257  49.860  -4.531  10.233
   72   3HD1  ILE 257          3HD1      ILE 257  48.587  -5.025   9.117
   73    H    LEU 258           H        LEU 258  50.074   0.981  10.061
   74    HA   LEU 258           HA       LEU 258  47.403   1.428   9.131
   75   1HB   LEU 258          1HB       LEU 258  48.735   2.017  11.429
   76   2HB   LEU 258          2HB       LEU 258  48.717   3.593  10.638
   77    HG   LEU 258           HG       LEU 258  46.300   1.836  11.150
   78   1HD1  LEU 258          1HD1      LEU 258  46.086   4.411  12.325
   79   2HD1  LEU 258          2HD1      LEU 258  47.676   3.783  12.760
   80   3HD1  LEU 258          3HD1      LEU 258  46.225   2.859  13.151
   81   1HD2  LEU 258          1HD2      LEU 258  46.762   4.335   9.569
   82   2HD2  LEU 258          2HD2      LEU 258  45.252   4.197  10.470
   83   3HD2  LEU 258          3HD2      LEU 258  45.661   2.995   9.247
   84    H    VAL 259           H        VAL 259  50.395   3.373   8.925
   85    HA   VAL 259           HA       VAL 259  49.192   5.270   7.123
   86    HB   VAL 259           HB       VAL 259  52.092   4.839   7.869
   87   1HG1  VAL 259          1HG1      VAL 259  52.042   7.379   7.164
   88   2HG1  VAL 259          2HG1      VAL 259  50.636   6.883   6.222
   89   3HG1  VAL 259          3HG1      VAL 259  52.202   6.128   5.931
   90   1HG2  VAL 259          1HG2      VAL 259  50.029   5.637   9.503
   91   2HG2  VAL 259          2HG2      VAL 259  50.605   7.180   8.874
   92   3HG2  VAL 259          3HG2      VAL 259  51.715   6.105   9.724
   93    H    PHE 260           H        PHE 260  50.249   2.157   6.686
   94    HA   PHE 260           HA       PHE 260  51.787   2.141   4.385
   95   1HB   PHE 260          1HB       PHE 260  51.403  -0.075   4.449
   96   2HB   PHE 260          2HB       PHE 260  50.419   0.242   5.876
   97    HD1  PHE 260           HD1      PHE 260  50.394  -1.179   2.654
   98    HD2  PHE 260           HD2      PHE 260  47.957   1.128   5.335
   99    HE1  PHE 260           HE1      PHE 260  48.365  -1.893   1.423
  100    HE2  PHE 260           HE2      PHE 260  45.926   0.415   4.102
  101    HZ   PHE 260           HZ       PHE 260  46.131  -1.097   2.147
  102    H    GLY 261           H        GLY 261  48.721   3.467   4.792
  103   1HA   GLY 261          1HA       GLY 261  48.467   4.531   2.256
  104   2HA   GLY 261          2HA       GLY 261  47.607   2.995   2.205
  105    H    GLU 262           H        GLU 262  47.881   5.140   5.001
  106    HA   GLU 262           HA       GLU 262  45.153   5.022   5.652
  107   1HB   GLU 262          1HB       GLU 262  45.621   6.905   7.166
  108   2HB   GLU 262          2HB       GLU 262  46.884   5.679   7.269
  109   1HG   GLU 262          1HG       GLU 262  48.300   7.429   6.960
  110   2HG   GLU 262          2HG       GLU 262  47.852   7.267   5.264
  111    H    SER 263           H        SER 263  46.981   7.304   3.679
  112    HA   SER 263           HA       SER 263  44.610   8.954   3.235
  113   1HB   SER 263          1HB       SER 263  46.184  10.325   1.853
  114   2HB   SER 263          2HB       SER 263  46.696  10.139   3.527
  115    HG   SER 263           HG       SER 263  48.178   9.667   1.546
  116    H    LEU 264           H        LEU 264  45.991   6.185   1.936
  117    HA   LEU 264           HA       LEU 264  45.347   6.669  -0.839
  118   1HB   LEU 264          1HB       LEU 264  46.579   4.525   0.748
  119   2HB   LEU 264          2HB       LEU 264  45.584   3.944  -0.586
  120    HG   LEU 264           HG       LEU 264  47.623   6.139  -0.969
  121   1HD1  LEU 264          1HD1      LEU 264  49.193   4.416  -1.742
  122   2HD1  LEU 264          2HD1      LEU 264  48.034   3.154  -1.324
  123   3HD1  LEU 264          3HD1      LEU 264  48.764   4.137  -0.054
  124   1HD2  LEU 264          1HD2      LEU 264  47.024   4.210  -3.111
  125   2HD2  LEU 264          2HD2      LEU 264  47.066   5.973  -3.168
  126   3HD2  LEU 264          3HD2      LEU 264  45.621   5.144  -2.593
  127    H    LEU 265           H        LEU 265  43.854   5.044   1.913
  128    HA   LEU 265           HA       LEU 265  41.633   4.072   0.308
  129   1HB   LEU 265          1HB       LEU 265  41.924   4.058   3.319
  130   2HB   LEU 265          2HB       LEU 265  40.834   3.071   2.346
  131    HG   LEU 265           HG       LEU 265  43.864   2.964   2.254
  132   1HD1  LEU 265          1HD1      LEU 265  42.038   1.804   4.066
  133   2HD1  LEU 265          2HD1      LEU 265  43.741   1.395   3.864
  134   3HD1  LEU 265          3HD1      LEU 265  42.508   0.511   2.964
  135   1HD2  LEU 265          1HD2      LEU 265  43.168   0.785   0.942
  136   2HD2  LEU 265          2HD2      LEU 265  43.204   2.335   0.102
  137   3HD2  LEU 265          3HD2      LEU 265  41.668   1.669   0.660
  138    H    ASN 266           H        ASN 266  42.460   7.025   1.463
  139    HA   ASN 266           HA       ASN 266  40.004   7.911   2.631
  140   1HB   ASN 266          1HB       ASN 266  42.581   9.085   1.867
  141   2HB   ASN 266          2HB       ASN 266  41.215  10.178   1.649
  142   1HD2  ASN 266          1HD2      ASN 266  42.104   7.708   4.141
  143   2HD2  ASN 266          2HD2      ASN 266  41.814   8.736   5.459
  144    H    ASP 267           H        ASP 267  41.487   9.081  -0.387
  145    HA   ASP 267           HA       ASP 267  39.286  10.225  -1.542
  146   1HB   ASP 267          1HB       ASP 267  41.711  10.086  -2.406
  147   2HB   ASP 267          2HB       ASP 267  41.205   8.589  -3.187
  148    H    ALA 268           H        ALA 268  39.792   6.899  -0.918
  149    HA   ALA 268           HA       ALA 268  37.772   6.038  -2.862
  150   1HB   ALA 268          1HB       ALA 268  38.355   3.756  -2.065
  151   2HB   ALA 268          2HB       ALA 268  39.503   4.472  -0.933
  152   3HB   ALA 268          3HB       ALA 268  39.756   4.640  -2.671
  153    H    VAL 269           H        VAL 269  38.283   6.453   0.579
  154    HA   VAL 269           HA       VAL 269  35.696   5.279   1.244
  155    HB   VAL 269           HB       VAL 269  37.966   6.421   2.866
  156   1HG1  VAL 269          1HG1      VAL 269  36.081   7.124   4.114
  157   2HG1  VAL 269          2HG1      VAL 269  36.508   5.570   4.830
  158   3HG1  VAL 269          3HG1      VAL 269  35.160   5.679   3.698
  159   1HG2  VAL 269          1HG2      VAL 269  37.864   4.019   1.829
  160   2HG2  VAL 269          2HG2      VAL 269  36.694   3.702   3.109
  161   3HG2  VAL 269          3HG2      VAL 269  38.336   4.197   3.519
  162    H    THR 270           H        THR 270  36.875   8.260   0.254
  163    HA   THR 270           HA       THR 270  34.995   9.863   1.806
  164    HB   THR 270           HB       THR 270  36.597  10.934  -0.488
  165    HG1  THR 270           HG1      THR 270  38.238  11.229   1.262
  166   1HG2  THR 270          1HG2      THR 270  36.272  12.157   2.230
  167   2HG2  THR 270          2HG2      THR 270  34.908  12.176   1.113
  168   3HG2  THR 270          3HG2      THR 270  36.429  12.948   0.662
  169    H    VAL 271           H        VAL 271  35.125   8.202  -1.185
  170    HA   VAL 271           HA       VAL 271  33.270   9.833  -2.633
  171    HB   VAL 271           HB       VAL 271  33.442   8.262  -4.325
  172   1HG1  VAL 271          1HG1      VAL 271  35.722   9.052  -3.356
  173   2HG1  VAL 271          2HG1      VAL 271  35.722   7.704  -4.492
  174   3HG1  VAL 271          3HG1      VAL 271  35.867   7.398  -2.761
  175   1HG2  VAL 271          1HG2      VAL 271  33.636   6.263  -2.072
  176   2HG2  VAL 271          2HG2      VAL 271  34.106   5.822  -3.713
  177   3HG2  VAL 271          3HG2      VAL 271  32.453   6.337  -3.379
  178    H    VAL 272           H        VAL 272  32.950   7.635  -0.064
  179    HA   VAL 272           HA       VAL 272  30.176   6.962  -0.726
  180    HB   VAL 272           HB       VAL 272  31.976   5.343   0.275
  181   1HG1  VAL 272          1HG1      VAL 272  32.322   7.080   2.187
  182   2HG1  VAL 272          2HG1      VAL 272  32.242   5.371   2.611
  183   3HG1  VAL 272          3HG1      VAL 272  30.835   6.406   2.853
  184   1HG2  VAL 272          1HG2      VAL 272  29.904   4.354   0.035
  185   2HG2  VAL 272          2HG2      VAL 272  29.069   5.657   0.880
  186   3HG2  VAL 272          3HG2      VAL 272  29.958   4.440   1.796
  187    H    LEU 273           H        LEU 273  31.978   9.204   1.145
  188    HA   LEU 273           HA       LEU 273  30.240   9.680   3.294
  189   1HB   LEU 273          1HB       LEU 273  32.435  11.119   1.959
  190   2HB   LEU 273          2HB       LEU 273  31.267  12.160   2.772
  191    HG   LEU 273           HG       LEU 273  31.531  10.870   4.846
  192   1HD1  LEU 273          1HD1      LEU 273  33.703   9.297   4.665
  193   2HD1  LEU 273          2HD1      LEU 273  33.113   9.131   3.011
  194   3HD1  LEU 273          3HD1      LEU 273  32.076   8.684   4.366
  195   1HD2  LEU 273          1HD2      LEU 273  33.145  12.769   4.086
  196   2HD2  LEU 273          2HD2      LEU 273  34.315  11.470   3.854
  197   3HD2  LEU 273          3HD2      LEU 273  33.627  11.763   5.452
  198    H    TYR 274           H        TYR 274  30.591  12.191   0.846
  199    HA   TYR 274           HA       TYR 274  27.697  12.650   0.979
  200   1HB   TYR 274          1HB       TYR 274  28.631  14.677  -0.552
  201   2HB   TYR 274          2HB       TYR 274  28.587  14.731   1.211
  202    HD1  TYR 274           HD1      TYR 274  30.728  14.126  -1.741
  203    HD2  TYR 274           HD2      TYR 274  30.608  14.554   2.530
  204    HE1  TYR 274           HE1      TYR 274  33.201  14.296  -1.690
  205    HE2  TYR 274           HE2      TYR 274  33.080  14.726   2.582
  206    HH   TYR 274           HH       TYR 274  34.974  14.895  -0.391
  207    H    LYS 275           H        LYS 275  30.262  12.354  -1.485
  208    HA   LYS 275           HA       LYS 275  28.869  12.483  -3.813
  209   1HB   LYS 275          1HB       LYS 275  31.132  10.724  -2.939
  210   2HB   LYS 275          2HB       LYS 275  30.418  10.469  -4.527
  211   1HG   LYS 275          1HG       LYS 275  31.003  13.301  -3.901
  212   2HG   LYS 275          2HG       LYS 275  32.425  12.270  -3.984
  213   1HD   LYS 275          1HD       LYS 275  31.979  13.180  -6.194
  214   2HD   LYS 275          2HD       LYS 275  31.655  11.448  -6.218
  215   1HE   LYS 275          1HE       LYS 275  29.266  11.835  -6.029
  216   2HE   LYS 275          2HE       LYS 275  29.525  13.563  -5.783
  217   1HZ   LYS 275          1HZ       LYS 275  29.745  13.900  -7.957
  218   2HZ   LYS 275          2HZ       LYS 275  29.091  12.347  -8.171
  219   3HZ   LYS 275          3HZ       LYS 275  30.775  12.567  -8.162
  220    H    LYS 276           H        LYS 276  29.339   9.414  -2.037
  221    HA   LYS 276           HA       LYS 276  28.099   7.480  -2.007
  222   1HB   LYS 276          1HB       LYS 276  25.928   9.564  -2.285
  223   2HB   LYS 276          2HB       LYS 276  25.586   7.848  -2.054
  224   1HG   LYS 276          1HG       LYS 276  27.555   9.074  -0.189
  225   2HG   LYS 276          2HG       LYS 276  25.869   9.552   0.016
  226   1HD   LYS 276          1HD       LYS 276  25.204   7.187   0.162
  227   2HD   LYS 276          2HD       LYS 276  26.882   6.693  -0.070
  228   1HE   LYS 276          1HE       LYS 276  27.207   6.865   2.148
  229   2HE   LYS 276          2HE       LYS 276  26.880   8.594   2.034
  230   1HZ   LYS 276          1HZ       LYS 276  25.407   7.350   3.589
  231   2HZ   LYS 276          2HZ       LYS 276  24.754   6.538   2.247
  232   3HZ   LYS 276          3HZ       LYS 276  24.582   8.222   2.391
  233   1HN   NH2 277          1HN       NH2 277  28.744   8.980  -4.788
  234   2HN   NH2 277          2HN       NH2 277  27.883   8.001  -5.891
  Start of MODEL   35
    1   1H    HIS 250          1H        HIS 250  58.140  -5.915   4.994
    2   2H    HIS 250          2H        HIS 250  57.881  -4.255   4.732
    3   3H    HIS 250          3H        HIS 250  59.461  -4.854   4.912
    4    HA   HIS 250           HA       HIS 250  58.615  -6.338   2.861
    5   1HB   HIS 250          1HB       HIS 250  56.520  -4.735   3.041
    6   2HB   HIS 250          2HB       HIS 250  57.574  -3.609   2.186
    7    HD2  HIS 250           HD2      HIS 250  57.096  -7.512   1.499
    8    HE1  HIS 250           HE1      HIS 250  56.469  -5.373  -2.086
    9    HE2  HIS 250           HE2      HIS 250  56.586  -7.691  -1.056
   10    H    ILE 251           H        ILE 251  59.003  -4.299   0.760
   11    HA   ILE 251           HA       ILE 251  61.880  -3.880   1.183
   12    HB   ILE 251           HB       ILE 251  60.744  -3.211  -1.443
   13   1HG1  ILE 251          1HG1      ILE 251  59.222  -5.037  -0.898
   14   2HG1  ILE 251          2HG1      ILE 251  60.420  -5.616  -2.053
   15   1HG2  ILE 251          1HG2      ILE 251  62.930  -5.103  -0.524
   16   2HG2  ILE 251          2HG2      ILE 251  63.163  -3.408  -0.958
   17   3HG2  ILE 251          3HG2      ILE 251  62.653  -4.572  -2.183
   18   1HD1  ILE 251          1HD1      ILE 251  60.851  -7.291  -0.606
   19   2HD1  ILE 251          2HD1      ILE 251  59.896  -6.526   0.662
   20   3HD1  ILE 251          3HD1      ILE 251  61.590  -6.088   0.450
   21    H    ASN 252           H        ASN 252  62.648  -1.842  -0.181
   22    HA   ASN 252           HA       ASN 252  61.325   0.441   1.075
   23   1HB   ASN 252          1HB       ASN 252  63.928   0.194  -0.448
   24   2HB   ASN 252          2HB       ASN 252  63.328   1.691   0.262
   25   1HD2  ASN 252          1HD2      ASN 252  63.690  -1.735   1.376
   26   2HD2  ASN 252          2HD2      ASN 252  64.378  -1.318   2.871
   27    H    GLU 253           H        GLU 253  61.614  -1.073  -2.011
   28    HA   GLU 253           HA       GLU 253  61.340   0.896  -3.871
   29   1HB   GLU 253          1HB       GLU 253  59.675  -1.630  -3.754
   30   2HB   GLU 253          2HB       GLU 253  59.989  -0.663  -5.195
   31   1HG   GLU 253          1HG       GLU 253  62.391  -1.099  -4.996
   32   2HG   GLU 253          2HG       GLU 253  62.121  -2.010  -3.513
   33    H    LEU 254           H        LEU 254  59.086   0.048  -1.381
   34    HA   LEU 254           HA       LEU 254  56.736   1.201  -2.456
   35   1HB   LEU 254          1HB       LEU 254  57.684   0.549   0.320
   36   2HB   LEU 254          2HB       LEU 254  56.177   1.434   0.079
   37    HG   LEU 254           HG       LEU 254  55.345  -0.365  -1.385
   38   1HD1  LEU 254          1HD1      LEU 254  57.281  -1.265  -2.392
   39   2HD1  LEU 254          2HD1      LEU 254  56.755  -2.540  -1.294
   40   3HD1  LEU 254          3HD1      LEU 254  58.093  -1.483  -0.842
   41   1HD2  LEU 254          1HD2      LEU 254  54.725  -1.761   0.358
   42   2HD2  LEU 254          2HD2      LEU 254  55.362  -0.403   1.286
   43   3HD2  LEU 254          3HD2      LEU 254  56.359  -1.833   1.019
   44    H    LEU 255           H        LEU 255  59.629   2.607  -1.380
   45    HA   LEU 255           HA       LEU 255  59.051   4.935  -0.114
   46   1HB   LEU 255          1HB       LEU 255  61.152   3.995  -1.817
   47   2HB   LEU 255          2HB       LEU 255  60.782   5.659  -2.254
   48    HG   LEU 255           HG       LEU 255  62.503   5.568  -0.490
   49   1HD1  LEU 255          1HD1      LEU 255  60.170   7.106  -0.494
   50   2HD1  LEU 255          2HD1      LEU 255  61.656   7.460   0.388
   51   3HD1  LEU 255          3HD1      LEU 255  60.347   6.581   1.181
   52   1HD2  LEU 255          1HD2      LEU 255  62.362   4.096   1.208
   53   2HD2  LEU 255          2HD2      LEU 255  60.853   3.496   0.522
   54   3HD2  LEU 255          3HD2      LEU 255  60.823   4.789   1.720
   55    H    HIS 256           H        HIS 256  58.028   4.037  -3.291
   56    HA   HIS 256           HA       HIS 256  57.345   6.751  -4.082
   57   1HB   HIS 256          1HB       HIS 256  56.759   4.079  -5.382
   58   2HB   HIS 256          2HB       HIS 256  56.399   5.652  -6.094
   59    HD2  HIS 256           HD2      HIS 256  59.736   5.911  -4.323
   60    HE1  HIS 256           HE1      HIS 256  60.672   4.869  -8.306
   61    HE2  HIS 256           HE2      HIS 256  61.635   5.692  -6.105
   62    H    ILE 257           H        ILE 257  55.654   3.787  -3.104
   63    HA   ILE 257           HA       ILE 257  53.083   5.135  -3.185
   64    HB   ILE 257           HB       ILE 257  53.636   2.650  -3.792
   65   1HG1  ILE 257          1HG1      ILE 257  51.304   2.096  -2.582
   66   2HG1  ILE 257          2HG1      ILE 257  51.293   3.849  -2.395
   67   1HG2  ILE 257          1HG2      ILE 257  54.646   2.398  -1.405
   68   2HG2  ILE 257          2HG2      ILE 257  53.627   1.099  -2.024
   69   3HG2  ILE 257          3HG2      ILE 257  52.968   2.267  -0.879
   70   1HD1  ILE 257          1HD1      ILE 257  51.927   3.885  -4.923
   71   2HD1  ILE 257          2HD1      ILE 257  50.254   3.545  -4.481
   72   3HD1  ILE 257          3HD1      ILE 257  51.332   2.225  -4.930
   73    H    LEU 258           H        LEU 258  55.578   4.472  -0.914
   74    HA   LEU 258           HA       LEU 258  54.132   4.323   1.488
   75   1HB   LEU 258          1HB       LEU 258  56.875   4.668   0.690
   76   2HB   LEU 258          2HB       LEU 258  56.498   5.766   2.017
   77    HG   LEU 258           HG       LEU 258  55.841   2.807   2.028
   78   1HD1  LEU 258          1HD1      LEU 258  58.183   4.358   3.151
   79   2HD1  LEU 258          2HD1      LEU 258  58.225   2.961   2.076
   80   3HD1  LEU 258          3HD1      LEU 258  57.724   2.766   3.755
   81   1HD2  LEU 258          1HD2      LEU 258  56.092   4.111   4.596
   82   2HD2  LEU 258          2HD2      LEU 258  54.699   3.266   3.918
   83   3HD2  LEU 258          3HD2      LEU 258  54.932   4.983   3.592
   84    H    VAL 259           H        VAL 259  54.734   6.976  -0.639
   85    HA   VAL 259           HA       VAL 259  54.701   9.232   0.869
   86    HB   VAL 259           HB       VAL 259  52.969   8.732  -1.565
   87   1HG1  VAL 259          1HG1      VAL 259  53.929  11.252  -0.186
   88   2HG1  VAL 259          2HG1      VAL 259  52.263  10.769  -0.509
   89   3HG1  VAL 259          3HG1      VAL 259  53.320  11.237  -1.842
   90   1HG2  VAL 259          1HG2      VAL 259  54.842   9.396  -2.865
   91   2HG2  VAL 259          2HG2      VAL 259  55.511   8.280  -1.674
   92   3HG2  VAL 259          3HG2      VAL 259  55.701  10.020  -1.457
   93    H    PHE 260           H        PHE 260  51.674   7.702  -0.259
   94    HA   PHE 260           HA       PHE 260  50.206   9.062   1.870
   95   1HB   PHE 260          1HB       PHE 260  48.508   7.318   0.420
   96   2HB   PHE 260          2HB       PHE 260  48.597   9.076   0.312
   97    HD1  PHE 260           HD1      PHE 260  50.144  10.156  -1.327
   98    HD2  PHE 260           HD2      PHE 260  49.490   5.911  -1.260
   99    HE1  PHE 260           HE1      PHE 260  51.117   9.971  -3.601
  100    HE2  PHE 260           HE2      PHE 260  50.462   5.726  -3.534
  101    HZ   PHE 260           HZ       PHE 260  51.276   7.756  -4.705
  102    H    GLY 261           H        GLY 261  49.993   5.736   0.604
  103   1HA   GLY 261          1HA       GLY 261  50.039   3.699   1.703
  104   2HA   GLY 261          2HA       GLY 261  50.588   4.539   3.149
  105    H    GLU 262           H        GLU 262  48.897   5.840   4.308
  106    HA   GLU 262           HA       GLU 262  46.481   4.221   4.555
  107   1HB   GLU 262          1HB       GLU 262  47.437   6.568   6.214
  108   2HB   GLU 262          2HB       GLU 262  46.097   5.491   6.609
  109   1HG   GLU 262          1HG       GLU 262  47.807   3.578   6.446
  110   2HG   GLU 262          2HG       GLU 262  49.041   4.834   6.485
  111    H    SER 263           H        SER 263  47.449   7.511   3.714
  112    HA   SER 263           HA       SER 263  44.979   8.775   3.645
  113   1HB   SER 263          1HB       SER 263  46.476  10.367   3.097
  114   2HB   SER 263          2HB       SER 263  47.609   9.191   2.437
  115    HG   SER 263           HG       SER 263  46.917   9.719   0.534
  116    H    LEU 264           H        LEU 264  46.536   6.783   1.152
  117    HA   LEU 264           HA       LEU 264  44.895   7.079  -0.997
  118   1HB   LEU 264          1HB       LEU 264  46.647   5.029  -0.016
  119   2HB   LEU 264          2HB       LEU 264  45.206   4.277  -0.702
  120    HG   LEU 264           HG       LEU 264  46.850   6.403  -2.104
  121   1HD1  LEU 264          1HD1      LEU 264  46.731   3.445  -2.731
  122   2HD1  LEU 264          2HD1      LEU 264  47.996   4.155  -1.727
  123   3HD1  LEU 264          3HD1      LEU 264  47.823   4.650  -3.411
  124   1HD2  LEU 264          1HD2      LEU 264  45.154   6.459  -3.589
  125   2HD2  LEU 264          2HD2      LEU 264  44.226   5.401  -2.526
  126   3HD2  LEU 264          3HD2      LEU 264  45.241   4.708  -3.791
  127    H    LEU 265           H        LEU 265  44.079   5.664   2.072
  128    HA   LEU 265           HA       LEU 265  41.670   4.372   1.166
  129   1HB   LEU 265          1HB       LEU 265  42.948   3.636   3.182
  130   2HB   LEU 265          2HB       LEU 265  42.489   5.137   3.980
  131    HG   LEU 265           HG       LEU 265  40.089   4.537   3.676
  132   1HD1  LEU 265          1HD1      LEU 265  39.895   1.911   3.217
  133   2HD1  LEU 265          2HD1      LEU 265  41.347   2.221   2.268
  134   3HD1  LEU 265          3HD1      LEU 265  39.853   3.083   1.900
  135   1HD2  LEU 265          1HD2      LEU 265  42.038   2.950   5.259
  136   2HD2  LEU 265          2HD2      LEU 265  40.407   2.286   5.147
  137   3HD2  LEU 265          3HD2      LEU 265  40.657   3.905   5.802
  138    H    ASN 266           H        ASN 266  42.409   7.339   2.994
  139    HA   ASN 266           HA       ASN 266  39.785   8.230   3.377
  140   1HB   ASN 266          1HB       ASN 266  40.785  10.027   4.294
  141   2HB   ASN 266          2HB       ASN 266  42.301   9.185   3.976
  142   1HD2  ASN 266          1HD2      ASN 266  43.397   9.709   1.859
  143   2HD2  ASN 266          2HD2      ASN 266  43.140  11.234   1.161
  144    H    ASP 267           H        ASP 267  41.676   8.053   0.515
  145    HA   ASP 267           HA       ASP 267  40.072  10.034  -0.914
  146   1HB   ASP 267          1HB       ASP 267  42.550   8.476  -1.478
  147   2HB   ASP 267          2HB       ASP 267  41.574   8.994  -2.852
  148    H    ALA 268           H        ALA 268  40.357   6.578  -0.528
  149    HA   ALA 268           HA       ALA 268  38.569   6.036  -2.773
  150   1HB   ALA 268          1HB       ALA 268  40.255   4.410  -2.612
  151   2HB   ALA 268          2HB       ALA 268  38.860   3.629  -1.868
  152   3HB   ALA 268          3HB       ALA 268  40.127   4.320  -0.855
  153    H    VAL 269           H        VAL 269  38.606   5.731   0.767
  154    HA   VAL 269           HA       VAL 269  36.149   4.530   1.186
  155    HB   VAL 269           HB       VAL 269  37.987   5.346   2.868
  156   1HG1  VAL 269          1HG1      VAL 269  36.001   7.581   3.242
  157   2HG1  VAL 269          2HG1      VAL 269  37.392   7.787   2.176
  158   3HG1  VAL 269          3HG1      VAL 269  37.636   7.436   3.887
  159   1HG2  VAL 269          1HG2      VAL 269  36.290   5.249   4.689
  160   2HG2  VAL 269          2HG2      VAL 269  36.046   3.981   3.489
  161   3HG2  VAL 269          3HG2      VAL 269  35.015   5.412   3.482
  162    H    THR 270           H        THR 270  36.794   7.576  -0.198
  163    HA   THR 270           HA       THR 270  34.217   8.743   0.480
  164    HB   THR 270           HB       THR 270  36.152   9.787  -1.581
  165    HG1  THR 270           HG1      THR 270  36.218  10.023   1.240
  166   1HG2  THR 270          1HG2      THR 270  34.695  11.531   0.314
  167   2HG2  THR 270          2HG2      THR 270  33.687  10.656  -0.838
  168   3HG2  THR 270          3HG2      THR 270  34.965  11.726  -1.417
  169    H    VAL 271           H        VAL 271  35.876   7.818  -2.547
  170    HA   VAL 271           HA       VAL 271  33.703   8.134  -4.269
  171    HB   VAL 271           HB       VAL 271  35.956   6.117  -4.442
  172   1HG1  VAL 271          1HG1      VAL 271  33.797   7.007  -6.324
  173   2HG1  VAL 271          2HG1      VAL 271  34.466   5.395  -6.075
  174   3HG1  VAL 271          3HG1      VAL 271  35.382   6.599  -6.979
  175   1HG2  VAL 271          1HG2      VAL 271  37.097   7.808  -5.754
  176   2HG2  VAL 271          2HG2      VAL 271  36.618   8.540  -4.223
  177   3HG2  VAL 271          3HG2      VAL 271  35.692   8.870  -5.688
  178    H    VAL 272           H        VAL 272  34.391   5.641  -1.956
  179    HA   VAL 272           HA       VAL 272  32.400   3.822  -3.077
  180    HB   VAL 272           HB       VAL 272  34.056   3.581  -0.554
  181   1HG1  VAL 272          1HG1      VAL 272  32.165   2.139  -0.376
  182   2HG1  VAL 272          2HG1      VAL 272  33.479   1.115  -0.955
  183   3HG1  VAL 272          3HG1      VAL 272  32.251   1.694  -2.081
  184   1HG2  VAL 272          1HG2      VAL 272  35.066   1.758  -2.285
  185   2HG2  VAL 272          2HG2      VAL 272  35.714   3.390  -2.127
  186   3HG2  VAL 272          3HG2      VAL 272  34.581   3.013  -3.424
  187    H    LEU 273           H        LEU 273  32.538   6.425  -0.911
  188    HA   LEU 273           HA       LEU 273  30.275   5.530   0.706
  189   1HB   LEU 273          1HB       LEU 273  32.055   6.748   1.841
  190   2HB   LEU 273          2HB       LEU 273  31.868   8.105   0.729
  191    HG   LEU 273           HG       LEU 273  29.347   7.308   1.995
  192   1HD1  LEU 273          1HD1      LEU 273  30.029   8.420   4.187
  193   2HD1  LEU 273          2HD1      LEU 273  31.702   8.198   3.674
  194   3HD1  LEU 273          3HD1      LEU 273  30.664   6.796   3.927
  195   1HD2  LEU 273          1HD2      LEU 273  29.702   9.386   0.692
  196   2HD2  LEU 273          2HD2      LEU 273  30.901   9.913   1.873
  197   3HD2  LEU 273          3HD2      LEU 273  29.211   9.745   2.347
  198    H    TYR 274           H        TYR 274  31.009   7.678  -1.955
  199    HA   TYR 274           HA       TYR 274  28.368   8.907  -1.905
  200   1HB   TYR 274          1HB       TYR 274  30.851   9.246  -3.555
  201   2HB   TYR 274          2HB       TYR 274  29.312   9.864  -4.154
  202    HD1  TYR 274           HD1      TYR 274  31.480   9.877  -1.098
  203    HD2  TYR 274           HD2      TYR 274  28.537  11.959  -3.436
  204    HE1  TYR 274           HE1      TYR 274  31.690  11.849   0.391
  205    HE2  TYR 274           HE2      TYR 274  28.748  13.930  -1.946
  206    HH   TYR 274           HH       TYR 274  30.431  14.894  -0.404
  207    H    LYS 275           H        LYS 275  30.192   6.568  -3.830
  208    HA   LYS 275           HA       LYS 275  28.240   6.222  -5.863
  209   1HB   LYS 275          1HB       LYS 275  30.551   4.555  -4.881
  210   2HB   LYS 275          2HB       LYS 275  29.483   3.977  -6.158
  211   1HG   LYS 275          1HG       LYS 275  30.690   6.730  -6.335
  212   2HG   LYS 275          2HG       LYS 275  31.639   5.322  -6.810
  213   1HD   LYS 275          1HD       LYS 275  30.438   5.007  -8.714
  214   2HD   LYS 275          2HD       LYS 275  28.903   5.348  -7.918
  215   1HE   LYS 275          1HE       LYS 275  29.326   7.743  -8.025
  216   2HE   LYS 275          2HE       LYS 275  30.929   7.460  -8.702
  217   1HZ   LYS 275          1HZ       LYS 275  28.861   6.126 -10.163
  218   2HZ   LYS 275          2HZ       LYS 275  30.086   7.162 -10.722
  219   3HZ   LYS 275          3HZ       LYS 275  28.633   7.806 -10.122
  220    H    LYS 276           H        LYS 276  28.889   4.544  -2.809
  221    HA   LYS 276           HA       LYS 276  26.432   2.955  -3.185
  222   1HB   LYS 276          1HB       LYS 276  28.388   1.616  -2.687
  223   2HB   LYS 276          2HB       LYS 276  28.759   2.615  -1.281
  224   1HG   LYS 276          1HG       LYS 276  27.161   1.621   0.010
  225   2HG   LYS 276          2HG       LYS 276  26.022   1.488  -1.332
  226   1HD   LYS 276          1HD       LYS 276  26.802  -0.740  -0.572
  227   2HD   LYS 276          2HD       LYS 276  27.280  -0.416  -2.239
  228   1HE   LYS 276          1HE       LYS 276  29.486  -0.441  -1.724
  229   2HE   LYS 276          2HE       LYS 276  29.242   0.527  -0.270
  230   1HZ   LYS 276          1HZ       LYS 276  29.782  -2.158  -0.376
  231   2HZ   LYS 276          2HZ       LYS 276  28.128  -2.078   0.003
  232   3HZ   LYS 276          3HZ       LYS 276  29.267  -1.285   0.984
  233   1HN   NH2 277          1HN       NH2 277  27.990   4.135  -0.169
  234   2HN   NH2 277          2HN       NH2 277  26.578   4.876   0.440
  Start of MODEL   36
    1   1H    HIS 250          1H        HIS 250  45.773 -15.457  -6.362
    2   2H    HIS 250          2H        HIS 250  44.702 -15.674  -5.060
    3   3H    HIS 250          3H        HIS 250  45.889 -14.460  -4.995
    4    HA   HIS 250           HA       HIS 250  43.771 -14.492  -7.061
    5   1HB   HIS 250          1HB       HIS 250  42.937 -14.418  -4.616
    6   2HB   HIS 250          2HB       HIS 250  43.705 -12.832  -4.541
    7    HD2  HIS 250           HD2      HIS 250  41.483 -14.272  -7.523
    8    HE1  HIS 250           HE1      HIS 250  39.845 -10.612  -6.205
    9    HE2  HIS 250           HE2      HIS 250  39.630 -12.476  -7.917
   10    H    ILE 251           H        ILE 251  43.348 -11.793  -7.042
   11    HA   ILE 251           HA       ILE 251  45.926 -10.789  -8.028
   12    HB   ILE 251           HB       ILE 251  43.568  -9.083  -8.391
   13   1HG1  ILE 251          1HG1      ILE 251  42.399 -11.225  -8.474
   14   2HG1  ILE 251          2HG1      ILE 251  42.552 -10.586 -10.108
   15   1HG2  ILE 251          1HG2      ILE 251  45.548 -10.370 -10.296
   16   2HG2  ILE 251          2HG2      ILE 251  45.706  -8.769  -9.572
   17   3HG2  ILE 251          3HG2      ILE 251  44.401  -9.097 -10.713
   18   1HD1  ILE 251          1HD1      ILE 251  44.890 -12.094  -9.714
   19   2HD1  ILE 251          2HD1      ILE 251  43.496 -12.546 -10.692
   20   3HD1  ILE 251          3HD1      ILE 251  43.596 -13.064  -9.010
   21    H    ASN 252           H        ASN 252  46.956  -9.060  -7.158
   22    HA   ASN 252           HA       ASN 252  45.975  -8.102  -4.574
   23   1HB   ASN 252          1HB       ASN 252  48.615  -7.685  -5.992
   24   2HB   ASN 252          2HB       ASN 252  48.233  -7.104  -4.373
   25   1HD2  ASN 252          1HD2      ASN 252  47.845 -10.246  -6.130
   26   2HD2  ASN 252          2HD2      ASN 252  48.477 -11.185  -4.865
   27    H    GLU 253           H        GLU 253  46.369  -7.013  -7.849
   28    HA   GLU 253           HA       GLU 253  46.572  -4.275  -7.601
   29   1HB   GLU 253          1HB       GLU 253  45.443  -4.107  -9.751
   30   2HB   GLU 253          2HB       GLU 253  46.538  -5.489  -9.759
   31   1HG   GLU 253          1HG       GLU 253  44.459  -6.852  -8.990
   32   2HG   GLU 253          2HG       GLU 253  43.533  -5.472  -9.578
   33    H    LEU 254           H        LEU 254  43.837  -6.316  -6.871
   34    HA   LEU 254           HA       LEU 254  41.954  -4.120  -6.718
   35   1HB   LEU 254          1HB       LEU 254  41.767  -6.920  -6.885
   36   2HB   LEU 254          2HB       LEU 254  41.113  -6.495  -5.303
   37    HG   LEU 254           HG       LEU 254  39.705  -4.741  -6.436
   38   1HD1  LEU 254          1HD1      LEU 254  41.394  -5.381  -8.617
   39   2HD1  LEU 254          2HD1      LEU 254  40.035  -4.256  -8.609
   40   3HD1  LEU 254          3HD1      LEU 254  39.781  -5.941  -9.059
   41   1HD2  LEU 254          1HD2      LEU 254  39.457  -7.685  -6.992
   42   2HD2  LEU 254          2HD2      LEU 254  38.277  -6.574  -7.686
   43   3HD2  LEU 254          3HD2      LEU 254  38.479  -6.665  -5.936
   44    H    LEU 255           H        LEU 255  44.045  -5.905  -4.564
   45    HA   LEU 255           HA       LEU 255  42.904  -4.624  -2.193
   46   1HB   LEU 255          1HB       LEU 255  45.184  -6.602  -2.463
   47   2HB   LEU 255          2HB       LEU 255  44.478  -6.044  -0.946
   48    HG   LEU 255           HG       LEU 255  42.233  -6.860  -2.233
   49   1HD1  LEU 255          1HD1      LEU 255  43.710  -7.639  -4.151
   50   2HD1  LEU 255          2HD1      LEU 255  42.642  -8.870  -3.478
   51   3HD1  LEU 255          3HD1      LEU 255  44.353  -8.859  -3.052
   52   1HD2  LEU 255          1HD2      LEU 255  42.440  -8.939  -0.892
   53   2HD2  LEU 255          2HD2      LEU 255  42.932  -7.519   0.030
   54   3HD2  LEU 255          3HD2      LEU 255  44.153  -8.597  -0.648
   55    H    HIS 256           H        HIS 256  44.707  -3.456  -4.502
   56    HA   HIS 256           HA       HIS 256  47.160  -2.632  -3.773
   57   1HB   HIS 256          1HB       HIS 256  46.768  -0.551  -4.949
   58   2HB   HIS 256          2HB       HIS 256  45.929  -1.861  -5.788
   59    HD2  HIS 256           HD2      HIS 256  43.159  -1.562  -5.918
   60    HE1  HIS 256           HE1      HIS 256  42.853   1.723  -3.291
   61    HE2  HIS 256           HE2      HIS 256  41.563   0.235  -4.894
   62    H    ILE 257           H        ILE 257  44.215  -1.803  -2.128
   63    HA   ILE 257           HA       ILE 257  45.080   0.474  -0.711
   64    HB   ILE 257           HB       ILE 257  42.725  -0.280  -0.802
   65   1HG1  ILE 257          1HG1      ILE 257  43.724  -0.277   2.058
   66   2HG1  ILE 257          2HG1      ILE 257  43.675   1.180   1.065
   67   1HG2  ILE 257          1HG2      ILE 257  41.969  -2.211   0.341
   68   2HG2  ILE 257          2HG2      ILE 257  43.476  -2.368   1.245
   69   3HG2  ILE 257          3HG2      ILE 257  43.438  -2.743  -0.477
   70   1HD1  ILE 257          1HD1      ILE 257  41.325   1.144   0.910
   71   2HD1  ILE 257          2HD1      ILE 257  41.628   0.670   2.581
   72   3HD1  ILE 257          3HD1      ILE 257  41.230  -0.554   1.375
   73    H    LEU 258           H        LEU 258  46.045  -2.786  -0.506
   74    HA   LEU 258           HA       LEU 258  46.731  -2.962   2.239
   75   1HB   LEU 258          1HB       LEU 258  47.244  -4.487  -0.226
   76   2HB   LEU 258          2HB       LEU 258  48.532  -4.598   0.971
   77    HG   LEU 258           HG       LEU 258  46.739  -6.355   1.210
   78   1HD1  LEU 258          1HD1      LEU 258  47.944  -4.705   3.216
   79   2HD1  LEU 258          2HD1      LEU 258  47.454  -6.393   3.342
   80   3HD1  LEU 258          3HD1      LEU 258  46.312  -5.111   3.745
   81   1HD2  LEU 258          1HD2      LEU 258  44.920  -4.422   2.512
   82   2HD2  LEU 258          2HD2      LEU 258  44.546  -5.823   1.508
   83   3HD2  LEU 258          3HD2      LEU 258  45.002  -4.296   0.755
   84    H    VAL 259           H        VAL 259  48.842  -2.459  -0.599
   85    HA   VAL 259           HA       VAL 259  51.230  -1.955   0.604
   86    HB   VAL 259           HB       VAL 259  50.049  -0.417  -1.720
   87   1HG1  VAL 259          1HG1      VAL 259  51.985   0.762  -0.914
   88   2HG1  VAL 259          2HG1      VAL 259  52.502  -0.168  -2.319
   89   3HG1  VAL 259          3HG1      VAL 259  52.881  -0.742  -0.696
   90   1HG2  VAL 259          1HG2      VAL 259  50.425  -2.262  -2.969
   91   2HG2  VAL 259          2HG2      VAL 259  50.634  -3.143  -1.455
   92   3HG2  VAL 259          3HG2      VAL 259  52.038  -2.470  -2.286
   93    H    PHE 260           H        PHE 260  49.474   0.895  -0.547
   94    HA   PHE 260           HA       PHE 260  50.471   2.399   1.751
   95   1HB   PHE 260          1HB       PHE 260  48.967   3.292  -0.721
   96   2HB   PHE 260          2HB       PHE 260  49.607   4.367   0.522
   97    HD1  PHE 260           HD1      PHE 260  50.318   2.715  -2.545
   98    HD2  PHE 260           HD2      PHE 260  52.156   4.086   1.087
   99    HE1  PHE 260           HE1      PHE 260  52.534   2.687  -3.657
  100    HE2  PHE 260           HE2      PHE 260  54.372   4.058  -0.024
  101    HZ   PHE 260           HZ       PHE 260  54.562   3.359  -2.396
  102    H    GLY 261           H        GLY 261  47.382   2.833   0.090
  103   1HA   GLY 261          1HA       GLY 261  45.224   2.979   0.871
  104   2HA   GLY 261          2HA       GLY 261  45.699   1.836   2.124
  105    H    GLU 262           H        GLU 262  47.078   2.834   3.913
  106    HA   GLU 262           HA       GLU 262  45.680   4.635   5.409
  107   1HB   GLU 262          1HB       GLU 262  48.691   4.329   5.323
  108   2HB   GLU 262          2HB       GLU 262  47.780   5.086   6.632
  109   1HG   GLU 262          1HG       GLU 262  47.021   3.090   7.440
  110   2HG   GLU 262          2HG       GLU 262  46.862   2.384   5.831
  111    H    SER 263           H        SER 263  47.459   5.322   2.570
  112    HA   SER 263           HA       SER 263  47.848   8.139   3.179
  113   1HB   SER 263          1HB       SER 263  48.797   8.260   0.920
  114   2HB   SER 263          2HB       SER 263  49.510   6.928   1.826
  115    HG   SER 263           HG       SER 263  47.470   5.849   0.734
  116    H    LEU 264           H        LEU 264  46.174   6.404   0.538
  117    HA   LEU 264           HA       LEU 264  44.496   8.723   0.038
  118   1HB   LEU 264          1HB       LEU 264  44.307   5.996  -1.249
  119   2HB   LEU 264          2HB       LEU 264  43.713   7.532  -1.880
  120    HG   LEU 264           HG       LEU 264  46.621   6.807  -1.419
  121   1HD1  LEU 264          1HD1      LEU 264  45.851   7.589  -4.105
  122   2HD1  LEU 264          2HD1      LEU 264  44.896   6.210  -3.559
  123   3HD1  LEU 264          3HD1      LEU 264  46.658   6.116  -3.565
  124   1HD2  LEU 264          1HD2      LEU 264  46.772   9.040  -2.845
  125   2HD2  LEU 264          2HD2      LEU 264  46.606   9.111  -1.090
  126   3HD2  LEU 264          3HD2      LEU 264  45.194   9.351  -2.120
  127    H    LEU 265           H        LEU 265  44.397   6.380   2.309
  128    HA   LEU 265           HA       LEU 265  42.005   5.120   2.393
  129   1HB   LEU 265          1HB       LEU 265  43.905   5.638   4.257
  130   2HB   LEU 265          2HB       LEU 265  42.582   6.628   4.870
  131    HG   LEU 265           HG       LEU 265  41.116   4.514   4.471
  132   1HD1  LEU 265          1HD1      LEU 265  42.138   2.511   4.067
  133   2HD1  LEU 265          2HD1      LEU 265  43.554   2.926   5.032
  134   3HD1  LEU 265          3HD1      LEU 265  43.408   3.523   3.380
  135   1HD2  LEU 265          1HD2      LEU 265  41.745   3.651   6.714
  136   2HD2  LEU 265          2HD2      LEU 265  41.661   5.412   6.694
  137   3HD2  LEU 265          3HD2      LEU 265  43.228   4.603   6.650
  138    H    ASN 266           H        ASN 266  42.522   8.571   2.668
  139    HA   ASN 266           HA       ASN 266  39.902   9.236   3.583
  140   1HB   ASN 266          1HB       ASN 266  42.214  10.736   2.429
  141   2HB   ASN 266          2HB       ASN 266  40.635  11.519   2.467
  142   1HD2  ASN 266          1HD2      ASN 266  43.171  10.107   4.530
  143   2HD2  ASN 266          2HD2      ASN 266  42.630  10.827   5.969
  144    H    ASP 267           H        ASP 267  41.453   9.380   0.377
  145    HA   ASP 267           HA       ASP 267  38.905   9.928  -0.911
  146   1HB   ASP 267          1HB       ASP 267  41.535   9.301  -2.255
  147   2HB   ASP 267          2HB       ASP 267  40.160  10.181  -2.920
  148    H    ALA 268           H        ALA 268  40.217   7.227   0.349
  149    HA   ALA 268           HA       ALA 268  39.544   5.413  -1.843
  150   1HB   ALA 268          1HB       ALA 268  41.536   5.210  -0.136
  151   2HB   ALA 268          2HB       ALA 268  40.676   3.766  -0.668
  152   3HB   ALA 268          3HB       ALA 268  40.308   4.484   0.899
  153    H    VAL 269           H        VAL 269  38.352   6.410   1.314
  154    HA   VAL 269           HA       VAL 269  36.497   4.476   1.908
  155    HB   VAL 269           HB       VAL 269  35.253   6.181   3.104
  156   1HG1  VAL 269          1HG1      VAL 269  37.872   7.415   3.480
  157   2HG1  VAL 269          2HG1      VAL 269  37.976   5.656   3.397
  158   3HG1  VAL 269          3HG1      VAL 269  36.933   6.423   4.595
  159   1HG2  VAL 269          1HG2      VAL 269  36.424   7.885   0.999
  160   2HG2  VAL 269          2HG2      VAL 269  36.474   8.595   2.613
  161   3HG2  VAL 269          3HG2      VAL 269  34.932   8.096   1.916
  162    H    THR 270           H        THR 270  36.415   6.790  -0.683
  163    HA   THR 270           HA       THR 270  33.600   6.281  -1.268
  164    HB   THR 270           HB       THR 270  34.326   8.541  -1.621
  165    HG1  THR 270           HG1      THR 270  33.629   8.749  -3.660
  166   1HG2  THR 270          1HG2      THR 270  36.577   8.709  -1.924
  167   2HG2  THR 270          2HG2      THR 270  36.157   8.627  -3.635
  168   3HG2  THR 270          3HG2      THR 270  36.674   7.172  -2.783
  169    H    VAL 271           H        VAL 271  36.708   5.101  -2.137
  170    HA   VAL 271           HA       VAL 271  35.776   3.916  -4.642
  171    HB   VAL 271           HB       VAL 271  38.460   3.744  -3.250
  172   1HG1  VAL 271          1HG1      VAL 271  39.132   3.053  -5.642
  173   2HG1  VAL 271          2HG1      VAL 271  37.414   2.753  -5.904
  174   3HG1  VAL 271          3HG1      VAL 271  38.289   1.850  -4.667
  175   1HG2  VAL 271          1HG2      VAL 271  37.188   5.783  -4.878
  176   2HG2  VAL 271          2HG2      VAL 271  38.628   5.153  -5.679
  177   3HG2  VAL 271          3HG2      VAL 271  38.747   5.833  -4.056
  178    H    VAL 272           H        VAL 272  37.663   2.542  -1.952
  179    HA   VAL 272           HA       VAL 272  37.054  -0.106  -2.318
  180    HB   VAL 272           HB       VAL 272  37.501  -0.423   0.079
  181   1HG1  VAL 272          1HG1      VAL 272  39.188   0.747  -1.823
  182   2HG1  VAL 272          2HG1      VAL 272  39.687  -0.039  -0.326
  183   3HG1  VAL 272          3HG1      VAL 272  39.435   1.706  -0.364
  184   1HG2  VAL 272          1HG2      VAL 272  36.766   1.163   1.505
  185   2HG2  VAL 272          2HG2      VAL 272  36.483   2.289   0.178
  186   3HG2  VAL 272          3HG2      VAL 272  38.074   2.201   0.936
  187    H    LEU 273           H        LEU 273  34.916   2.395  -1.407
  188    HA   LEU 273           HA       LEU 273  33.021   1.288   0.210
  189   1HB   LEU 273          1HB       LEU 273  32.888   3.567  -0.770
  190   2HB   LEU 273          2HB       LEU 273  32.447   2.855  -2.319
  191    HG   LEU 273           HG       LEU 273  30.439   1.835  -1.265
  192   1HD1  LEU 273          1HD1      LEU 273  31.689   3.051   1.164
  193   2HD1  LEU 273          2HD1      LEU 273  30.809   1.532   0.995
  194   3HD1  LEU 273          3HD1      LEU 273  29.929   3.060   1.054
  195   1HD2  LEU 273          1HD2      LEU 273  29.398   3.720  -1.913
  196   2HD2  LEU 273          2HD2      LEU 273  30.927   4.591  -1.805
  197   3HD2  LEU 273          3HD2      LEU 273  29.860   4.505  -0.403
  198    H    TYR 274           H        TYR 274  32.399   1.282  -3.285
  199    HA   TYR 274           HA       TYR 274  30.963  -1.247  -2.998
  200   1HB   TYR 274          1HB       TYR 274  30.561  -0.710  -5.544
  201   2HB   TYR 274          2HB       TYR 274  29.691   0.187  -4.300
  202    HD1  TYR 274           HD1      TYR 274  30.488   2.457  -3.606
  203    HD2  TYR 274           HD2      TYR 274  32.197   0.352  -6.937
  204    HE1  TYR 274           HE1      TYR 274  31.493   4.571  -4.425
  205    HE2  TYR 274           HE2      TYR 274  33.203   2.467  -7.756
  206    HH   TYR 274           HH       TYR 274  33.866   4.889  -6.250
  207    H    LYS 275           H        LYS 275  33.733   0.110  -4.742
  208    HA   LYS 275           HA       LYS 275  34.409  -1.948  -6.430
  209   1HB   LYS 275          1HB       LYS 275  36.332  -0.332  -4.740
  210   2HB   LYS 275          2HB       LYS 275  36.733  -1.208  -6.218
  211   1HG   LYS 275          1HG       LYS 275  34.545   0.345  -6.956
  212   2HG   LYS 275          2HG       LYS 275  35.473   1.413  -5.904
  213   1HD   LYS 275          1HD       LYS 275  36.361   1.751  -8.090
  214   2HD   LYS 275          2HD       LYS 275  37.531   0.722  -7.266
  215   1HE   LYS 275          1HE       LYS 275  37.318  -0.668  -9.040
  216   2HE   LYS 275          2HE       LYS 275  35.758  -1.108  -8.347
  217   1HZ   LYS 275          1HZ       LYS 275  35.619  -0.400 -10.687
  218   2HZ   LYS 275          2HZ       LYS 275  36.182   1.140 -10.239
  219   3HZ   LYS 275          3HZ       LYS 275  34.693   0.573  -9.652
  220    H    LYS 276           H        LYS 276  34.822  -1.784  -2.942
  221    HA   LYS 276           HA       LYS 276  35.676  -3.304  -1.424
  222   1HB   LYS 276          1HB       LYS 276  34.106  -5.050  -3.329
  223   2HB   LYS 276          2HB       LYS 276  34.739  -5.617  -1.783
  224   1HG   LYS 276          1HG       LYS 276  33.199  -3.074  -1.722
  225   2HG   LYS 276          2HG       LYS 276  32.274  -4.543  -2.035
  226   1HD   LYS 276          1HD       LYS 276  32.905  -5.523   0.016
  227   2HD   LYS 276          2HD       LYS 276  34.261  -4.415   0.228
  228   1HE   LYS 276          1HE       LYS 276  31.555  -3.192   0.031
  229   2HE   LYS 276          2HE       LYS 276  31.919  -4.079   1.511
  230   1HZ   LYS 276          1HZ       LYS 276  34.143  -2.519   0.859
  231   2HZ   LYS 276          2HZ       LYS 276  33.111  -2.367   2.199
  232   3HZ   LYS 276          3HZ       LYS 276  32.776  -1.520   0.765
  233   1HN   NH2 277          1HN       NH2 277  37.312  -2.868  -4.065
  234   2HN   NH2 277          2HN       NH2 277  38.395  -4.187  -4.052
  Start of MODEL   37
    1   1H    HIS 250          1H        HIS 250  39.969 -11.297  -3.878
    2   2H    HIS 250          2H        HIS 250  40.581  -9.728  -3.659
    3   3H    HIS 250          3H        HIS 250  41.304 -11.042  -2.862
    4    HA   HIS 250           HA       HIS 250  41.866 -11.987  -5.083
    5   1HB   HIS 250          1HB       HIS 250  40.082 -10.229  -6.048
    6   2HB   HIS 250          2HB       HIS 250  41.536  -9.243  -6.201
    7    HD2  HIS 250           HD2      HIS 250  43.347 -12.173  -6.895
    8    HE1  HIS 250           HE1      HIS 250  41.098 -11.881 -10.455
    9    HE2  HIS 250           HE2      HIS 250  43.122 -12.966  -9.372
   10    H    ILE 251           H        ILE 251  44.028 -12.035  -5.052
   11    HA   ILE 251           HA       ILE 251  45.500 -10.052  -3.554
   12    HB   ILE 251           HB       ILE 251  46.445 -12.459  -5.129
   13   1HG1  ILE 251          1HG1      ILE 251  46.742 -12.673  -2.289
   14   2HG1  ILE 251          2HG1      ILE 251  45.077 -12.204  -2.634
   15   1HG2  ILE 251          1HG2      ILE 251  48.369 -12.006  -3.299
   16   2HG2  ILE 251          2HG2      ILE 251  47.827 -10.346  -3.552
   17   3HG2  ILE 251          3HG2      ILE 251  48.416 -11.299  -4.914
   18   1HD1  ILE 251          1HD1      ILE 251  44.895 -14.066  -4.253
   19   2HD1  ILE 251          2HD1      ILE 251  45.303 -14.656  -2.642
   20   3HD1  ILE 251          3HD1      ILE 251  46.552 -14.543  -3.883
   21    H    ASN 252           H        ASN 252  44.236  -9.836  -6.489
   22    HA   ASN 252           HA       ASN 252  46.570  -8.859  -7.940
   23   1HB   ASN 252          1HB       ASN 252  45.332  -9.409  -9.720
   24   2HB   ASN 252          2HB       ASN 252  44.018  -9.883  -8.645
   25   1HD2  ASN 252          1HD2      ASN 252  42.735  -7.828  -7.762
   26   2HD2  ASN 252          2HD2      ASN 252  42.381  -6.648  -8.929
   27    H    GLU 253           H        GLU 253  44.076  -7.655  -5.917
   28    HA   GLU 253           HA       GLU 253  43.656  -5.072  -6.805
   29   1HB   GLU 253          1HB       GLU 253  43.128  -4.505  -4.496
   30   2HB   GLU 253          2HB       GLU 253  42.510  -6.117  -4.862
   31   1HG   GLU 253          1HG       GLU 253  44.934  -6.826  -3.983
   32   2HG   GLU 253          2HG       GLU 253  44.777  -5.310  -3.099
   33    H    LEU 254           H        LEU 254  46.594  -6.455  -5.954
   34    HA   LEU 254           HA       LEU 254  48.060  -4.602  -4.586
   35   1HB   LEU 254          1HB       LEU 254  48.946  -6.089  -7.068
   36   2HB   LEU 254          2HB       LEU 254  50.018  -5.345  -5.883
   37    HG   LEU 254           HG       LEU 254  47.959  -7.286  -4.906
   38   1HD1  LEU 254          1HD1      LEU 254  48.966  -8.426  -6.842
   39   2HD1  LEU 254          2HD1      LEU 254  49.523  -9.156  -5.336
   40   3HD1  LEU 254          3HD1      LEU 254  50.577  -8.059  -6.228
   41   1HD2  LEU 254          1HD2      LEU 254  50.841  -6.696  -4.153
   42   2HD2  LEU 254          2HD2      LEU 254  49.750  -7.770  -3.279
   43   3HD2  LEU 254          3HD2      LEU 254  49.422  -6.039  -3.340
   44    H    LEU 255           H        LEU 255  46.848  -4.355  -7.858
   45    HA   LEU 255           HA       LEU 255  48.297  -1.832  -8.270
   46   1HB   LEU 255          1HB       LEU 255  46.802  -3.697 -10.102
   47   2HB   LEU 255          2HB       LEU 255  47.233  -2.061 -10.602
   48    HG   LEU 255           HG       LEU 255  49.606  -2.534 -10.102
   49   1HD1  LEU 255          1HD1      LEU 255  48.406  -5.113  -9.151
   50   2HD1  LEU 255          2HD1      LEU 255  49.686  -4.142  -8.425
   51   3HD1  LEU 255          3HD1      LEU 255  50.029  -5.135  -9.841
   52   1HD2  LEU 255          1HD2      LEU 255  49.925  -4.307 -11.899
   53   2HD2  LEU 255          2HD2      LEU 255  48.923  -2.935 -12.371
   54   3HD2  LEU 255          3HD2      LEU 255  48.168  -4.469 -11.937
   55    H    HIS 256           H        HIS 256  45.375  -2.861  -7.039
   56    HA   HIS 256           HA       HIS 256  43.790  -0.671  -8.140
   57   1HB   HIS 256          1HB       HIS 256  43.142  -2.879  -6.185
   58   2HB   HIS 256          2HB       HIS 256  41.988  -1.649  -6.700
   59    HD2  HIS 256           HD2      HIS 256  44.337  -2.942  -9.506
   60    HE1  HIS 256           HE1      HIS 256  40.608  -4.846 -10.037
   61    HE2  HIS 256           HE2      HIS 256  42.886  -4.433 -11.081
   62    H    ILE 257           H        ILE 257  43.512  -1.684  -4.798
   63    HA   ILE 257           HA       ILE 257  43.933   1.106  -3.990
   64    HB   ILE 257           HB       ILE 257  41.845   0.295  -3.221
   65   1HG1  ILE 257          1HG1      ILE 257  43.458  -0.264  -0.764
   66   2HG1  ILE 257          2HG1      ILE 257  43.626   1.321  -1.520
   67   1HG2  ILE 257          1HG2      ILE 257  41.551  -1.935  -3.107
   68   2HG2  ILE 257          2HG2      ILE 257  42.398  -1.904  -1.560
   69   3HG2  ILE 257          3HG2      ILE 257  43.289  -2.217  -3.047
   70   1HD1  ILE 257          1HD1      ILE 257  41.417   1.904  -1.116
   71   2HD1  ILE 257          2HD1      ILE 257  41.743   0.894   0.294
   72   3HD1  ILE 257          3HD1      ILE 257  40.871   0.227  -1.087
   73    H    LEU 258           H        LEU 258  45.062  -2.179  -3.252
   74    HA   LEU 258           HA       LEU 258  46.652  -1.662  -1.046
   75   1HB   LEU 258          1HB       LEU 258  46.496  -3.720  -3.091
   76   2HB   LEU 258          2HB       LEU 258  48.155  -3.451  -2.560
   77    HG   LEU 258           HG       LEU 258  45.835  -3.841  -0.652
   78   1HD1  LEU 258          1HD1      LEU 258  45.919  -6.030  -1.179
   79   2HD1  LEU 258          2HD1      LEU 258  47.565  -6.056  -0.546
   80   3HD1  LEU 258          3HD1      LEU 258  47.285  -5.769  -2.263
   81   1HD2  LEU 258          1HD2      LEU 258  48.488  -2.916  -0.311
   82   2HD2  LEU 258          2HD2      LEU 258  48.470  -4.571   0.296
   83   3HD2  LEU 258          3HD2      LEU 258  47.351  -3.379   0.954
   84    H    VAL 259           H        VAL 259  46.918  -0.296  -4.102
   85    HA   VAL 259           HA       VAL 259  49.649  -0.063  -4.567
   86    HB   VAL 259           HB       VAL 259  47.479   1.996  -5.026
   87   1HG1  VAL 259          1HG1      VAL 259  50.305   1.731  -6.082
   88   2HG1  VAL 259          2HG1      VAL 259  49.619   3.086  -5.185
   89   3HG1  VAL 259          3HG1      VAL 259  49.085   2.759  -6.833
   90   1HG2  VAL 259          1HG2      VAL 259  48.681   0.153  -7.079
   91   2HG2  VAL 259          2HG2      VAL 259  47.122   0.977  -7.109
   92   3HG2  VAL 259          3HG2      VAL 259  47.365  -0.409  -6.048
   93    H    PHE 260           H        PHE 260  47.579   2.263  -2.807
   94    HA   PHE 260           HA       PHE 260  49.943   3.546  -1.681
   95   1HB   PHE 260          1HB       PHE 260  47.659   4.623  -0.470
   96   2HB   PHE 260          2HB       PHE 260  48.567   5.313  -1.814
   97    HD1  PHE 260           HD1      PHE 260  47.989   4.457  -4.195
   98    HD2  PHE 260           HD2      PHE 260  45.437   3.920  -0.783
   99    HE1  PHE 260           HE1      PHE 260  46.057   4.075  -5.701
  100    HE2  PHE 260           HE2      PHE 260  43.505   3.538  -2.287
  101    HZ   PHE 260           HZ       PHE 260  43.814   3.615  -4.747
  102    H    GLY 261           H        GLY 261  46.888   2.695  -0.080
  103   1HA   GLY 261          1HA       GLY 261  47.078   0.752   1.561
  104   2HA   GLY 261          2HA       GLY 261  48.460   1.641   2.191
  105    H    GLU 262           H        GLU 262  48.073   2.923   3.871
  106    HA   GLU 262           HA       GLU 262  45.309   3.548   4.586
  107   1HB   GLU 262          1HB       GLU 262  46.282   4.286   6.730
  108   2HB   GLU 262          2HB       GLU 262  46.782   2.644   6.324
  109   1HG   GLU 262          1HG       GLU 262  48.928   3.292   6.481
  110   2HG   GLU 262          2HG       GLU 262  48.669   4.382   5.120
  111    H    SER 263           H        SER 263  47.504   4.938   2.636
  112    HA   SER 263           HA       SER 263  47.507   7.650   3.539
  113   1HB   SER 263          1HB       SER 263  47.947   6.654   0.720
  114   2HB   SER 263          2HB       SER 263  48.509   8.170   1.418
  115    HG   SER 263           HG       SER 263  49.514   5.614   1.643
  116    H    LEU 264           H        LEU 264  46.154   6.525   0.451
  117    HA   LEU 264           HA       LEU 264  44.293   8.657   0.295
  118   1HB   LEU 264          1HB       LEU 264  44.027   6.040  -1.179
  119   2HB   LEU 264          2HB       LEU 264  43.526   7.648  -1.703
  120    HG   LEU 264           HG       LEU 264  46.347   6.589  -1.424
  121   1HD1  LEU 264          1HD1      LEU 264  44.783   6.327  -3.531
  122   2HD1  LEU 264          2HD1      LEU 264  46.465   6.809  -3.743
  123   3HD1  LEU 264          3HD1      LEU 264  45.187   8.022  -3.793
  124   1HD2  LEU 264          1HD2      LEU 264  46.509   8.790  -0.537
  125   2HD2  LEU 264          2HD2      LEU 264  45.315   9.421  -1.672
  126   3HD2  LEU 264          3HD2      LEU 264  46.923   8.973  -2.241
  127    H    LEU 265           H        LEU 265  44.261   6.296   2.486
  128    HA   LEU 265           HA       LEU 265  41.920   4.931   2.539
  129   1HB   LEU 265          1HB       LEU 265  43.753   5.283   4.388
  130   2HB   LEU 265          2HB       LEU 265  42.629   6.500   4.991
  131    HG   LEU 265           HG       LEU 265  40.872   4.523   4.601
  132   1HD1  LEU 265          1HD1      LEU 265  41.740   2.368   4.791
  133   2HD1  LEU 265          2HD1      LEU 265  43.244   2.929   5.524
  134   3HD1  LEU 265          3HD1      LEU 265  42.973   3.142   3.794
  135   1HD2  LEU 265          1HD2      LEU 265  41.446   3.815   7.028
  136   2HD2  LEU 265          2HD2      LEU 265  41.052   5.511   6.745
  137   3HD2  LEU 265          3HD2      LEU 265  42.735   5.016   6.927
  138    H    ASN 266           H        ASN 266  42.279   8.374   2.617
  139    HA   ASN 266           HA       ASN 266  39.515   8.818   3.451
  140   1HB   ASN 266          1HB       ASN 266  40.161  10.928   3.944
  141   2HB   ASN 266          2HB       ASN 266  41.795  10.280   3.816
  142   1HD2  ASN 266          1HD2      ASN 266  42.681  10.308   1.431
  143   2HD2  ASN 266          2HD2      ASN 266  42.312  11.690   0.518
  144    H    ASP 267           H        ASP 267  41.546   9.041   0.579
  145    HA   ASP 267           HA       ASP 267  39.362  10.072  -1.048
  146   1HB   ASP 267          1HB       ASP 267  42.270   9.668  -1.359
  147   2HB   ASP 267          2HB       ASP 267  41.319   9.406  -2.819
  148    H    ALA 268           H        ALA 268  40.630   7.043  -0.088
  149    HA   ALA 268           HA       ALA 268  39.615   5.599  -2.407
  150   1HB   ALA 268          1HB       ALA 268  41.496   5.079  -0.302
  151   2HB   ALA 268          2HB       ALA 268  41.197   4.148  -1.771
  152   3HB   ALA 268          3HB       ALA 268  40.268   3.812  -0.309
  153    H    VAL 269           H        VAL 269  38.903   5.883   1.065
  154    HA   VAL 269           HA       VAL 269  36.752   4.100   1.187
  155    HB   VAL 269           HB       VAL 269  37.792   5.058   3.187
  156   1HG1  VAL 269          1HG1      VAL 269  38.049   7.357   2.072
  157   2HG1  VAL 269          2HG1      VAL 269  37.585   7.355   3.774
  158   3HG1  VAL 269          3HG1      VAL 269  36.370   7.643   2.528
  159   1HG2  VAL 269          1HG2      VAL 269  35.177   4.466   2.885
  160   2HG2  VAL 269          2HG2      VAL 269  35.028   6.160   3.353
  161   3HG2  VAL 269          3HG2      VAL 269  35.848   5.019   4.419
  162    H    THR 270           H        THR 270  37.015   6.828  -0.680
  163    HA   THR 270           HA       THR 270  34.185   7.567  -0.530
  164    HB   THR 270           HB       THR 270  36.615   8.756  -1.830
  165    HG1  THR 270           HG1      THR 270  34.508   9.800  -0.246
  166   1HG2  THR 270          1HG2      THR 270  35.141   8.936  -3.650
  167   2HG2  THR 270          2HG2      THR 270  34.886  10.448  -2.782
  168   3HG2  THR 270          3HG2      THR 270  33.730   9.127  -2.608
  169    H    VAL 271           H        VAL 271  36.532   6.162  -2.777
  170    HA   VAL 271           HA       VAL 271  34.377   5.662  -4.714
  171    HB   VAL 271           HB       VAL 271  37.374   5.326  -4.971
  172   1HG1  VAL 271          1HG1      VAL 271  36.767   5.162  -7.429
  173   2HG1  VAL 271          2HG1      VAL 271  35.086   4.988  -6.926
  174   3HG1  VAL 271          3HG1      VAL 271  36.277   3.778  -6.451
  175   1HG2  VAL 271          1HG2      VAL 271  36.768   7.671  -4.824
  176   2HG2  VAL 271          2HG2      VAL 271  35.437   7.441  -5.957
  177   3HG2  VAL 271          3HG2      VAL 271  37.103   7.299  -6.515
  178    H    VAL 272           H        VAL 272  37.007   3.938  -3.036
  179    HA   VAL 272           HA       VAL 272  36.321   1.354  -3.912
  180    HB   VAL 272           HB       VAL 272  37.544   1.946  -1.223
  181   1HG1  VAL 272          1HG1      VAL 272  38.243  -0.213  -1.305
  182   2HG1  VAL 272          2HG1      VAL 272  38.666  -0.103  -3.013
  183   3HG1  VAL 272          3HG1      VAL 272  36.998  -0.413  -2.537
  184   1HG2  VAL 272          1HG2      VAL 272  39.038   3.240  -2.352
  185   2HG2  VAL 272          2HG2      VAL 272  38.516   2.634  -3.922
  186   3HG2  VAL 272          3HG2      VAL 272  39.661   1.705  -2.954
  187    H    LEU 273           H        LEU 273  34.728   3.455  -1.766
  188    HA   LEU 273           HA       LEU 273  33.364   1.275  -0.350
  189   1HB   LEU 273          1HB       LEU 273  34.238   3.346   0.841
  190   2HB   LEU 273          2HB       LEU 273  32.955   4.241   0.027
  191    HG   LEU 273           HG       LEU 273  31.464   2.244   0.984
  192   1HD1  LEU 273          1HD1      LEU 273  33.401   1.071   1.986
  193   2HD1  LEU 273          2HD1      LEU 273  32.256   1.586   3.224
  194   3HD1  LEU 273          3HD1      LEU 273  33.746   2.493   2.970
  195   1HD2  LEU 273          1HD2      LEU 273  32.423   4.783   2.284
  196   2HD2  LEU 273          2HD2      LEU 273  31.288   3.735   3.137
  197   3HD2  LEU 273          3HD2      LEU 273  30.847   4.425   1.575
  198    H    TYR 274           H        TYR 274  32.511   4.205  -2.201
  199    HA   TYR 274           HA       TYR 274  29.757   3.460  -2.468
  200   1HB   TYR 274          1HB       TYR 274  31.516   5.604  -3.592
  201   2HB   TYR 274          2HB       TYR 274  29.938   5.315  -4.322
  202    HD1  TYR 274           HD1      TYR 274  31.562   5.819  -0.985
  203    HD2  TYR 274           HD2      TYR 274  28.030   6.296  -3.380
  204    HE1  TYR 274           HE1      TYR 274  30.482   7.079   0.859
  205    HE2  TYR 274           HE2      TYR 274  26.950   7.555  -1.537
  206    HH   TYR 274           HH       TYR 274  28.519   8.927   0.917
  207    H    LYS 275           H        LYS 275  32.231   3.928  -4.988
  208    HA   LYS 275           HA       LYS 275  30.754   2.395  -6.908
  209   1HB   LYS 275          1HB       LYS 275  33.666   3.047  -7.209
  210   2HB   LYS 275          2HB       LYS 275  32.407   3.000  -8.438
  211   1HG   LYS 275          1HG       LYS 275  32.700   5.085  -6.247
  212   2HG   LYS 275          2HG       LYS 275  33.006   5.330  -7.961
  213   1HD   LYS 275          1HD       LYS 275  30.326   4.669  -6.699
  214   2HD   LYS 275          2HD       LYS 275  30.804   6.218  -7.383
  215   1HE   LYS 275          1HE       LYS 275  30.197   3.641  -8.807
  216   2HE   LYS 275          2HE       LYS 275  29.605   5.265  -9.145
  217   1HZ   LYS 275          1HZ       LYS 275  31.693   5.899 -10.010
  218   2HZ   LYS 275          2HZ       LYS 275  31.319   4.402 -10.722
  219   3HZ   LYS 275          3HZ       LYS 275  32.446   4.486  -9.454
  220    H    LYS 276           H        LYS 276  33.457   1.755  -4.746
  221    HA   LYS 276           HA       LYS 276  34.591  -0.182  -4.245
  222   1HB   LYS 276          1HB       LYS 276  31.871  -1.215  -5.028
  223   2HB   LYS 276          2HB       LYS 276  33.154  -2.296  -4.481
  224   1HG   LYS 276          1HG       LYS 276  33.082  -1.517  -2.323
  225   2HG   LYS 276          2HG       LYS 276  32.659   0.123  -2.820
  226   1HD   LYS 276          1HD       LYS 276  30.796  -1.077  -1.635
  227   2HD   LYS 276          2HD       LYS 276  30.368  -0.537  -3.260
  228   1HE   LYS 276          1HE       LYS 276  30.269  -2.672  -4.092
  229   2HE   LYS 276          2HE       LYS 276  31.557  -3.254  -3.038
  230   1HZ   LYS 276          1HZ       LYS 276  28.718  -2.782  -2.347
  231   2HZ   LYS 276          2HZ       LYS 276  29.923  -2.994  -1.168
  232   3HZ   LYS 276          3HZ       LYS 276  29.581  -4.240  -2.272
  233   1HN   NH2 277          1HN       NH2 277  34.053   0.693  -7.359
  234   2HN   NH2 277          2HN       NH2 277  34.854  -0.582  -8.166
  Start of MODEL   38
    1   1H    HIS 250          1H        HIS 250  63.441  10.458  14.316
    2   2H    HIS 250          2H        HIS 250  62.651  11.945  14.539
    3   3H    HIS 250          3H        HIS 250  64.180  11.894  13.800
    4    HA   HIS 250           HA       HIS 250  63.232  11.738  11.826
    5   1HB   HIS 250          1HB       HIS 250  62.956   9.178  13.012
    6   2HB   HIS 250          2HB       HIS 250  61.440   9.507  12.173
    7    HD2  HIS 250           HD2      HIS 250  62.714  11.132   9.563
    8    HE1  HIS 250           HE1      HIS 250  64.971   7.612   8.987
    9    HE2  HIS 250           HE2      HIS 250  64.156   9.748   7.883
   10    H    ILE 251           H        ILE 251  61.896  13.418  11.467
   11    HA   ILE 251           HA       ILE 251  59.236  13.431  12.727
   12    HB   ILE 251           HB       ILE 251  60.017  15.747  11.094
   13   1HG1  ILE 251          1HG1      ILE 251  62.238  15.186  11.930
   14   2HG1  ILE 251          2HG1      ILE 251  61.626  16.577  12.821
   15   1HG2  ILE 251          1HG2      ILE 251  59.133  15.418  13.977
   16   2HG2  ILE 251          2HG2      ILE 251  58.056  15.679  12.604
   17   3HG2  ILE 251          3HG2      ILE 251  59.196  16.937  13.083
   18   1HD1  ILE 251          1HD1      ILE 251  62.059  15.425  14.710
   19   2HD1  ILE 251          2HD1      ILE 251  62.361  13.941  13.811
   20   3HD1  ILE 251          3HD1      ILE 251  60.717  14.366  14.284
   21    H    ASN 252           H        ASN 252  57.971  15.121  10.876
   22    HA   ASN 252           HA       ASN 252  56.911  13.253   9.053
   23   1HB   ASN 252          1HB       ASN 252  55.702  15.139   8.097
   24   2HB   ASN 252          2HB       ASN 252  55.692  15.248   9.855
   25   1HD2  ASN 252          1HD2      ASN 252  58.761  16.026   9.398
   26   2HD2  ASN 252          2HD2      ASN 252  58.649  17.694   9.104
   27    H    GLU 253           H        GLU 253  59.927  14.435   8.969
   28    HA   GLU 253           HA       GLU 253  60.305  15.389   6.351
   29   1HB   GLU 253          1HB       GLU 253  62.667  14.202   6.786
   30   2HB   GLU 253          2HB       GLU 253  62.218  15.717   7.567
   31   1HG   GLU 253          1HG       GLU 253  61.806  14.699   9.615
   32   2HG   GLU 253          2HG       GLU 253  61.457  13.133   8.884
   33    H    LEU 254           H        LEU 254  61.608  12.243   7.320
   34    HA   LEU 254           HA       LEU 254  61.174  11.192   4.666
   35   1HB   LEU 254          1HB       LEU 254  62.759  10.514   6.984
   36   2HB   LEU 254          2HB       LEU 254  61.899   9.092   6.391
   37    HG   LEU 254           HG       LEU 254  62.747   9.541   4.109
   38   1HD1  LEU 254          1HD1      LEU 254  64.870  11.322   4.617
   39   2HD1  LEU 254          2HD1      LEU 254  63.448  12.062   5.352
   40   3HD1  LEU 254          3HD1      LEU 254  63.436  11.635   3.641
   41   1HD2  LEU 254          1HD2      LEU 254  64.254   8.697   6.386
   42   2HD2  LEU 254          2HD2      LEU 254  65.337   9.602   5.329
   43   3HD2  LEU 254          3HD2      LEU 254  64.459   8.205   4.705
   44    H    LEU 255           H        LEU 255  59.413  11.329   7.580
   45    HA   LEU 255           HA       LEU 255  57.814   8.953   7.002
   46   1HB   LEU 255          1HB       LEU 255  57.575  10.995   9.224
   47   2HB   LEU 255          2HB       LEU 255  56.669   9.488   9.111
   48    HG   LEU 255           HG       LEU 255  59.672   9.402   9.005
   49   1HD1  LEU 255          1HD1      LEU 255  59.675  10.516  11.008
   50   2HD1  LEU 255          2HD1      LEU 255  59.237   8.923  11.624
   51   3HD1  LEU 255          3HD1      LEU 255  57.986  10.133  11.345
   52   1HD2  LEU 255          1HD2      LEU 255  57.522   7.557  10.103
   53   2HD2  LEU 255          2HD2      LEU 255  59.251   7.214  10.113
   54   3HD2  LEU 255          3HD2      LEU 255  58.387   7.346   8.581
   55    H    HIS 256           H        HIS 256  57.926  11.933   5.748
   56    HA   HIS 256           HA       HIS 256  55.562  13.239   5.856
   57   1HB   HIS 256          1HB       HIS 256  55.974  14.052   3.701
   58   2HB   HIS 256          2HB       HIS 256  57.578  13.585   4.277
   59    HD2  HIS 256           HD2      HIS 256  58.604  11.173   3.114
   60    HE1  HIS 256           HE1      HIS 256  55.546  10.798   0.233
   61    HE2  HIS 256           HE2      HIS 256  57.810   9.914   0.965
   62    H    ILE 257           H        ILE 257  56.030  10.017   4.713
   63    HA   ILE 257           HA       ILE 257  53.561   9.830   3.249
   64    HB   ILE 257           HB       ILE 257  55.703   8.413   2.955
   65   1HG1  ILE 257          1HG1      ILE 257  53.945   6.287   2.845
   66   2HG1  ILE 257          2HG1      ILE 257  52.861   7.674   2.771
   67   1HG2  ILE 257          1HG2      ILE 257  55.606   7.861   5.501
   68   2HG2  ILE 257          2HG2      ILE 257  56.038   6.572   4.376
   69   3HG2  ILE 257          3HG2      ILE 257  54.402   6.661   5.030
   70   1HD1  ILE 257          1HD1      ILE 257  53.448   7.241   0.509
   71   2HD1  ILE 257          2HD1      ILE 257  55.146   6.994   0.918
   72   3HD1  ILE 257          3HD1      ILE 257  54.451   8.614   0.982
   73    H    LEU 258           H        LEU 258  53.889  10.452   6.346
   74    HA   LEU 258           HA       LEU 258  52.839   8.617   8.003
   75   1HB   LEU 258          1HB       LEU 258  51.459  10.516   9.048
   76   2HB   LEU 258          2HB       LEU 258  53.202  10.737   8.945
   77    HG   LEU 258           HG       LEU 258  51.918  11.688   6.517
   78   1HD1  LEU 258          1HD1      LEU 258  49.998  12.059   8.093
   79   2HD1  LEU 258          2HD1      LEU 258  50.680  13.562   7.477
   80   3HD1  LEU 258          3HD1      LEU 258  51.071  13.023   9.109
   81   1HD2  LEU 258          1HD2      LEU 258  54.203  12.244   7.470
   82   2HD2  LEU 258          2HD2      LEU 258  53.379  13.220   8.683
   83   3HD2  LEU 258          3HD2      LEU 258  53.250  13.640   6.975
   84    H    VAL 259           H        VAL 259  50.394  10.894   6.843
   85    HA   VAL 259           HA       VAL 259  48.500   8.663   6.669
   86    HB   VAL 259           HB       VAL 259  48.064  11.657   6.709
   87   1HG1  VAL 259          1HG1      VAL 259  45.657  10.581   7.277
   88   2HG1  VAL 259          2HG1      VAL 259  46.278   9.332   6.197
   89   3HG1  VAL 259          3HG1      VAL 259  46.146  10.999   5.634
   90   1HG2  VAL 259          1HG2      VAL 259  48.712   9.939   8.780
   91   2HG2  VAL 259          2HG2      VAL 259  46.950   9.967   8.838
   92   3HG2  VAL 259          3HG2      VAL 259  47.861  11.472   8.961
   93    H    PHE 260           H        PHE 260  50.248  10.868   4.674
   94    HA   PHE 260           HA       PHE 260  48.574  11.049   2.440
   95   1HB   PHE 260          1HB       PHE 260  50.406  12.464   2.329
   96   2HB   PHE 260          2HB       PHE 260  51.533  11.218   2.868
   97    HD1  PHE 260           HD1      PHE 260  49.762  12.661   0.008
   98    HD2  PHE 260           HD2      PHE 260  52.280   9.438   1.321
   99    HE1  PHE 260           HE1      PHE 260  50.286  12.107  -2.351
  100    HE2  PHE 260           HE2      PHE 260  52.803   8.886  -1.037
  101    HZ   PHE 260           HZ       PHE 260  51.807  10.220  -2.876
  102    H    GLY 261           H        GLY 261  50.062   8.334   3.789
  103   1HA   GLY 261          1HA       GLY 261  49.903   6.834   1.242
  104   2HA   GLY 261          2HA       GLY 261  50.914   6.379   2.609
  105    H    GLU 262           H        GLU 262  48.584   7.205   4.407
  106    HA   GLU 262           HA       GLU 262  47.291   4.584   4.381
  107   1HB   GLU 262          1HB       GLU 262  47.049   6.840   6.384
  108   2HB   GLU 262          2HB       GLU 262  46.471   5.186   6.593
  109   1HG   GLU 262          1HG       GLU 262  48.783   4.350   6.398
  110   2HG   GLU 262          2HG       GLU 262  49.364   6.001   6.190
  111    H    SER 263           H        SER 263  46.661   7.807   3.415
  112    HA   SER 263           HA       SER 263  43.774   7.612   3.602
  113   1HB   SER 263          1HB       SER 263  45.495   9.728   3.518
  114   2HB   SER 263          2HB       SER 263  44.941   9.674   1.847
  115    HG   SER 263           HG       SER 263  43.632  10.453   4.083
  116    H    LEU 264           H        LEU 264  46.132   6.458   1.502
  117    HA   LEU 264           HA       LEU 264  44.999   6.780  -1.037
  118   1HB   LEU 264          1HB       LEU 264  46.909   4.894   0.221
  119   2HB   LEU 264          2HB       LEU 264  46.129   4.336  -1.260
  120    HG   LEU 264           HG       LEU 264  46.844   6.367  -2.431
  121   1HD1  LEU 264          1HD1      LEU 264  47.645   7.138   0.340
  122   2HD1  LEU 264          2HD1      LEU 264  46.951   8.128  -0.944
  123   3HD1  LEU 264          3HD1      LEU 264  48.661   7.699  -0.988
  124   1HD2  LEU 264          1HD2      LEU 264  49.272   5.946  -2.421
  125   2HD2  LEU 264          2HD2      LEU 264  48.383   4.425  -2.361
  126   3HD2  LEU 264          3HD2      LEU 264  49.121   5.072  -0.896
  127    H    LEU 265           H        LEU 265  44.184   4.612   1.588
  128    HA   LEU 265           HA       LEU 265  42.439   2.961  -0.028
  129   1HB   LEU 265          1HB       LEU 265  41.837   1.921   2.132
  130   2HB   LEU 265          2HB       LEU 265  43.585   1.997   1.910
  131    HG   LEU 265           HG       LEU 265  42.957   4.429   3.120
  132   1HD1  LEU 265          1HD1      LEU 265  41.501   2.197   4.565
  133   2HD1  LEU 265          2HD1      LEU 265  40.688   3.418   3.587
  134   3HD1  LEU 265          3HD1      LEU 265  41.580   3.896   5.030
  135   1HD2  LEU 265          1HD2      LEU 265  43.940   1.811   4.298
  136   2HD2  LEU 265          2HD2      LEU 265  44.064   3.372   5.108
  137   3HD2  LEU 265          3HD2      LEU 265  44.935   3.089   3.601
  138    H    ASN 266           H        ASN 266  42.166   5.766   2.048
  139    HA   ASN 266           HA       ASN 266  39.310   5.676   2.300
  140   1HB   ASN 266          1HB       ASN 266  39.662   7.322   3.782
  141   2HB   ASN 266          2HB       ASN 266  41.386   7.139   3.463
  142   1HD2  ASN 266          1HD2      ASN 266  42.195   8.446   1.474
  143   2HD2  ASN 266          2HD2      ASN 266  41.494   9.972   1.225
  144    H    ASP 267           H        ASP 267  41.401   6.476  -0.230
  145    HA   ASP 267           HA       ASP 267  40.403   8.630  -1.550
  146   1HB   ASP 267          1HB       ASP 267  42.152   7.446  -2.605
  147   2HB   ASP 267          2HB       ASP 267  41.241   5.937  -2.609
  148    H    ALA 268           H        ALA 268  38.792   5.582  -1.009
  149    HA   ALA 268           HA       ALA 268  36.597   6.270  -2.814
  150   1HB   ALA 268          1HB       ALA 268  35.687   4.043  -1.848
  151   2HB   ALA 268          2HB       ALA 268  37.306   3.848  -1.176
  152   3HB   ALA 268          3HB       ALA 268  37.084   3.977  -2.921
  153    H    VAL 269           H        VAL 269  37.360   6.131   0.600
  154    HA   VAL 269           HA       VAL 269  34.712   6.382   1.596
  155    HB   VAL 269           HB       VAL 269  37.426   7.006   2.755
  156   1HG1  VAL 269          1HG1      VAL 269  34.668   7.461   3.885
  157   2HG1  VAL 269          2HG1      VAL 269  36.062   8.540   3.915
  158   3HG1  VAL 269          3HG1      VAL 269  36.032   7.109   4.946
  159   1HG2  VAL 269          1HG2      VAL 269  35.323   4.886   3.301
  160   2HG2  VAL 269          2HG2      VAL 269  36.838   5.054   4.187
  161   3HG2  VAL 269          3HG2      VAL 269  36.861   4.636   2.474
  162    H    THR 270           H        THR 270  36.793   8.565   0.009
  163    HA   THR 270           HA       THR 270  35.525  10.943   1.149
  164    HB   THR 270           HB       THR 270  37.833  10.466  -0.714
  165    HG1  THR 270           HG1      THR 270  37.374  11.769   1.751
  166   1HG2  THR 270          1HG2      THR 270  37.899  13.073  -0.735
  167   2HG2  THR 270          2HG2      THR 270  36.174  12.954  -0.389
  168   3HG2  THR 270          3HG2      THR 270  36.829  12.243  -1.865
  169    H    VAL 271           H        VAL 271  36.254   9.957  -2.203
  170    HA   VAL 271           HA       VAL 271  34.496  11.560  -3.546
  171    HB   VAL 271           HB       VAL 271  34.459   9.866  -5.321
  172   1HG1  VAL 271          1HG1      VAL 271  37.202   9.397  -4.510
  173   2HG1  VAL 271          2HG1      VAL 271  36.727  11.058  -4.154
  174   3HG1  VAL 271          3HG1      VAL 271  36.587  10.434  -5.797
  175   1HG2  VAL 271          1HG2      VAL 271  34.217   7.748  -4.481
  176   2HG2  VAL 271          2HG2      VAL 271  35.123   8.118  -3.013
  177   3HG2  VAL 271          3HG2      VAL 271  35.980   7.766  -4.514
  178    H    VAL 272           H        VAL 272  33.720   8.889  -1.491
  179    HA   VAL 272           HA       VAL 272  30.999   8.656  -2.518
  180    HB   VAL 272           HB       VAL 272  32.494   6.729  -1.608
  181   1HG1  VAL 272          1HG1      VAL 272  32.845   8.121   0.562
  182   2HG1  VAL 272          2HG1      VAL 272  32.532   6.392   0.723
  183   3HG1  VAL 272          3HG1      VAL 272  31.235   7.553   1.003
  184   1HG2  VAL 272          1HG2      VAL 272  30.232   6.287  -2.245
  185   2HG2  VAL 272          2HG2      VAL 272  29.594   7.206  -0.882
  186   3HG2  VAL 272          3HG2      VAL 272  30.392   5.658  -0.605
  187    H    LEU 273           H        LEU 273  32.736  10.130   0.132
  188    HA   LEU 273           HA       LEU 273  30.464  10.637   1.786
  189   1HB   LEU 273          1HB       LEU 273  33.298  11.127   1.870
  190   2HB   LEU 273          2HB       LEU 273  32.442  12.620   2.248
  191    HG   LEU 273           HG       LEU 273  32.875  11.283   4.283
  192   1HD1  LEU 273          1HD1      LEU 273  30.022  10.866   4.275
  193   2HD1  LEU 273          2HD1      LEU 273  30.407  12.370   3.438
  194   3HD1  LEU 273          3HD1      LEU 273  30.954  12.118   5.096
  195   1HD2  LEU 273          1HD2      LEU 273  32.186   9.128   2.603
  196   2HD2  LEU 273          2HD2      LEU 273  30.899   9.218   3.806
  197   3HD2  LEU 273          3HD2      LEU 273  32.577   9.050   4.321
  198    H    TYR 274           H        TYR 274  31.860  12.193  -0.985
  199    HA   TYR 274           HA       TYR 274  30.758  14.780  -0.644
  200   1HB   TYR 274          1HB       TYR 274  32.257  14.912  -2.342
  201   2HB   TYR 274          2HB       TYR 274  31.998  13.237  -2.833
  202    HD1  TYR 274           HD1      TYR 274  30.655  12.731  -4.698
  203    HD2  TYR 274           HD2      TYR 274  30.388  16.612  -2.877
  204    HE1  TYR 274           HE1      TYR 274  29.183  13.495  -6.542
  205    HE2  TYR 274           HE2      TYR 274  28.916  17.377  -4.721
  206    HH   TYR 274           HH       TYR 274  28.432  15.490  -7.587
  207    H    LYS 275           H        LYS 275  29.562  11.857  -2.261
  208    HA   LYS 275           HA       LYS 275  27.267  12.848  -3.452
  209   1HB   LYS 275          1HB       LYS 275  27.532  10.180  -2.044
  210   2HB   LYS 275          2HB       LYS 275  26.380  10.586  -3.317
  211   1HG   LYS 275          1HG       LYS 275  28.808  11.305  -4.439
  212   2HG   LYS 275          2HG       LYS 275  29.212   9.847  -3.533
  213   1HD   LYS 275          1HD       LYS 275  28.518   9.074  -5.675
  214   2HD   LYS 275          2HD       LYS 275  27.140   8.786  -4.612
  215   1HE   LYS 275          1HE       LYS 275  25.921   9.942  -6.125
  216   2HE   LYS 275          2HE       LYS 275  26.720  11.382  -5.495
  217   1HZ   LYS 275          1HZ       LYS 275  28.087  11.514  -7.266
  218   2HZ   LYS 275          2HZ       LYS 275  26.832  10.668  -8.038
  219   3HZ   LYS 275          3HZ       LYS 275  28.197   9.834  -7.466
  220    H    LYS 276           H        LYS 276  27.842  11.987  -0.079
  221    HA   LYS 276           HA       LYS 276  25.156  12.163   0.805
  222   1HB   LYS 276          1HB       LYS 276  27.754  12.584   2.301
  223   2HB   LYS 276          2HB       LYS 276  26.170  12.437   3.063
  224   1HG   LYS 276          1HG       LYS 276  26.939  10.308   1.124
  225   2HG   LYS 276          2HG       LYS 276  27.766  10.310   2.683
  226   1HD   LYS 276          1HD       LYS 276  25.678  10.180   3.878
  227   2HD   LYS 276          2HD       LYS 276  24.753  10.444   2.398
  228   1HE   LYS 276          1HE       LYS 276  24.761   8.056   3.001
  229   2HE   LYS 276          2HE       LYS 276  25.616   8.318   1.480
  230   1HZ   LYS 276          1HZ       LYS 276  27.668   8.523   2.997
  231   2HZ   LYS 276          2HZ       LYS 276  27.055   6.976   2.650
  232   3HZ   LYS 276          3HZ       LYS 276  26.717   7.712   4.143
  233   1HN   NH2 277          1HN       NH2 277  27.545  14.651   0.106
  234   2HN   NH2 277          2HN       NH2 277  26.585  15.966   0.618
  Start of MODEL   39
    1   1H    HIS 250          1H        HIS 250  43.380  -1.599  22.395
    2   2H    HIS 250          2H        HIS 250  43.070  -0.764  20.949
    3   3H    HIS 250          3H        HIS 250  43.699   0.062  22.293
    4    HA   HIS 250           HA       HIS 250  45.661  -1.549  22.118
    5   1HB   HIS 250          1HB       HIS 250  44.185  -1.913  19.521
    6   2HB   HIS 250          2HB       HIS 250  45.940  -2.067  19.569
    7    HD2  HIS 250           HD2      HIS 250  46.377  -3.777  22.287
    8    HE1  HIS 250           HE1      HIS 250  43.496  -6.453  20.750
    9    HE2  HIS 250           HE2      HIS 250  45.358  -6.175  22.455
   10    H    ILE 251           H        ILE 251  47.565  -0.666  21.009
   11    HA   ILE 251           HA       ILE 251  47.183   2.192  20.400
   12    HB   ILE 251           HB       ILE 251  49.929   1.184  20.699
   13   1HG1  ILE 251          1HG1      ILE 251  48.864  -0.305  22.312
   14   2HG1  ILE 251          2HG1      ILE 251  49.716   0.970  23.181
   15   1HG2  ILE 251          1HG2      ILE 251  49.295   3.578  20.604
   16   2HG2  ILE 251          2HG2      ILE 251  50.100   3.176  22.121
   17   3HG2  ILE 251          3HG2      ILE 251  48.348   3.374  22.078
   18   1HD1  ILE 251          1HD1      ILE 251  46.878   0.331  23.179
   19   2HD1  ILE 251          2HD1      ILE 251  47.150   2.016  22.737
   20   3HD1  ILE 251          3HD1      ILE 251  47.782   1.391  24.258
   21    H    ASN 252           H        ASN 252  49.656   2.588  19.110
   22    HA   ASN 252           HA       ASN 252  48.973   2.099  16.426
   23   1HB   ASN 252          1HB       ASN 252  51.018   3.114  15.865
   24   2HB   ASN 252          2HB       ASN 252  50.582   3.854  17.404
   25   1HD2  ASN 252          1HD2      ASN 252  51.413   2.187  19.344
   26   2HD2  ASN 252          2HD2      ASN 252  53.057   1.796  19.193
   27    H    GLU 253           H        GLU 253  49.779  -0.171  18.608
   28    HA   GLU 253           HA       GLU 253  51.713  -1.727  17.182
   29   1HB   GLU 253          1HB       GLU 253  49.746  -2.617  19.304
   30   2HB   GLU 253          2HB       GLU 253  51.204  -3.472  18.799
   31   1HG   GLU 253          1HG       GLU 253  52.260  -1.043  19.384
   32   2HG   GLU 253          2HG       GLU 253  50.919  -1.080  20.527
   33    H    LEU 254           H        LEU 254  48.454  -2.841  18.039
   34    HA   LEU 254           HA       LEU 254  48.314  -4.477  15.676
   35   1HB   LEU 254          1HB       LEU 254  46.687  -4.041  18.107
   36   2HB   LEU 254          2HB       LEU 254  45.791  -4.532  16.669
   37    HG   LEU 254           HG       LEU 254  47.223  -6.478  16.380
   38   1HD1  LEU 254          1HD1      LEU 254  48.850  -5.033  18.404
   39   2HD1  LEU 254          2HD1      LEU 254  49.368  -6.053  17.063
   40   3HD1  LEU 254          3HD1      LEU 254  48.796  -6.789  18.560
   41   1HD2  LEU 254          1HD2      LEU 254  46.818  -6.781  19.272
   42   2HD2  LEU 254          2HD2      LEU 254  46.080  -7.668  17.938
   43   3HD2  LEU 254          3HD2      LEU 254  45.410  -6.117  18.444
   44    H    LEU 255           H        LEU 255  47.610  -1.237  16.364
   45    HA   LEU 255           HA       LEU 255  45.513  -0.993  14.346
   46   1HB   LEU 255          1HB       LEU 255  46.874   1.154  15.986
   47   2HB   LEU 255          2HB       LEU 255  45.405   1.338  15.032
   48    HG   LEU 255           HG       LEU 255  45.711  -0.581  17.361
   49   1HD1  LEU 255          1HD1      LEU 255  45.749   1.582  18.324
   50   2HD1  LEU 255          2HD1      LEU 255  44.056   1.095  18.413
   51   3HD1  LEU 255          3HD1      LEU 255  44.588   2.212  17.156
   52   1HD2  LEU 255          1HD2      LEU 255  43.097  -0.366  17.114
   53   2HD2  LEU 255          2HD2      LEU 255  43.985  -1.463  16.057
   54   3HD2  LEU 255          3HD2      LEU 255  43.483   0.119  15.464
   55    H    HIS 256           H        HIS 256  48.763  -1.313  14.242
   56    HA   HIS 256           HA       HIS 256  49.749   0.761  12.666
   57   1HB   HIS 256          1HB       HIS 256  51.546  -0.631  12.193
   58   2HB   HIS 256          2HB       HIS 256  50.918  -1.353  13.676
   59    HD2  HIS 256           HD2      HIS 256  49.581  -3.846  13.316
   60    HE1  HIS 256           HE1      HIS 256  50.464  -4.208   9.206
   61    HE2  HIS 256           HE2      HIS 256  49.534  -5.423  11.232
   62    H    ILE 257           H        ILE 257  47.271  -1.403  11.954
   63    HA   ILE 257           HA       ILE 257  47.640  -1.770   9.164
   64    HB   ILE 257           HB       ILE 257  45.095  -1.741  10.806
   65   1HG1  ILE 257          1HG1      ILE 257  46.367  -4.233   9.775
   66   2HG1  ILE 257          2HG1      ILE 257  47.166  -3.435  11.131
   67   1HG2  ILE 257          1HG2      ILE 257  44.546  -3.365   8.752
   68   2HG2  ILE 257          2HG2      ILE 257  45.712  -2.319   7.941
   69   3HG2  ILE 257          3HG2      ILE 257  44.256  -1.628   8.660
   70   1HD1  ILE 257          1HD1      ILE 257  45.503  -5.098  11.911
   71   2HD1  ILE 257          2HD1      ILE 257  44.238  -4.223  11.049
   72   3HD1  ILE 257          3HD1      ILE 257  45.066  -3.464  12.408
   73    H    LEU 258           H        LEU 258  47.289   1.034  10.823
   74    HA   LEU 258           HA       LEU 258  45.370   2.435   9.245
   75   1HB   LEU 258          1HB       LEU 258  46.195   4.427  10.328
   76   2HB   LEU 258          2HB       LEU 258  46.133   3.136  11.528
   77    HG   LEU 258           HG       LEU 258  48.662   2.828  10.469
   78   1HD1  LEU 258          1HD1      LEU 258  49.681   4.963  10.224
   79   2HD1  LEU 258          2HD1      LEU 258  48.273   5.797  10.880
   80   3HD1  LEU 258          3HD1      LEU 258  48.195   5.064   9.279
   81   1HD2  LEU 258          1HD2      LEU 258  49.350   4.081  12.606
   82   2HD2  LEU 258          2HD2      LEU 258  48.272   2.702  12.817
   83   3HD2  LEU 258          3HD2      LEU 258  47.627   4.341  12.876
   84    H    VAL 259           H        VAL 259  48.690   1.580   8.805
   85    HA   VAL 259           HA       VAL 259  49.328   3.615   6.885
   86    HB   VAL 259           HB       VAL 259  50.642   0.929   7.366
   87   1HG1  VAL 259          1HG1      VAL 259  52.629   2.224   6.400
   88   2HG1  VAL 259          2HG1      VAL 259  51.455   3.425   5.864
   89   3HG1  VAL 259          3HG1      VAL 259  51.368   1.772   5.254
   90   1HG2  VAL 259          1HG2      VAL 259  50.785   2.101   9.417
   91   2HG2  VAL 259          2HG2      VAL 259  50.968   3.659   8.612
   92   3HG2  VAL 259          3HG2      VAL 259  52.297   2.499   8.599
   93    H    PHE 260           H        PHE 260  48.238   0.245   6.706
   94    HA   PHE 260           HA       PHE 260  48.452  -0.131   3.945
   95   1HB   PHE 260          1HB       PHE 260  46.826  -1.329   6.126
   96   2HB   PHE 260          2HB       PHE 260  46.277  -1.611   4.474
   97    HD1  PHE 260           HD1      PHE 260  48.141  -2.318   2.757
   98    HD2  PHE 260           HD2      PHE 260  48.498  -2.705   7.021
   99    HE1  PHE 260           HE1      PHE 260  49.912  -4.028   2.454
  100    HE2  PHE 260           HE2      PHE 260  50.269  -4.415   6.716
  101    HZ   PHE 260           HZ       PHE 260  50.977  -5.076   4.434
  102    H    GLY 261           H        GLY 261  46.672   2.165   5.553
  103   1HA   GLY 261          1HA       GLY 261  45.252   2.925   3.155
  104   2HA   GLY 261          2HA       GLY 261  44.195   2.388   4.457
  105    H    GLU 262           H        GLU 262  47.235   4.232   4.595
  106    HA   GLU 262           HA       GLU 262  46.191   6.064   6.516
  107   1HB   GLU 262          1HB       GLU 262  48.354   7.356   5.835
  108   2HB   GLU 262          2HB       GLU 262  48.502   5.812   6.670
  109   1HG   GLU 262          1HG       GLU 262  49.431   4.793   4.866
  110   2HG   GLU 262          2HG       GLU 262  48.323   5.565   3.736
  111    H    SER 263           H        SER 263  47.811   7.314   3.667
  112    HA   SER 263           HA       SER 263  45.674   9.281   3.348
  113   1HB   SER 263          1HB       SER 263  48.381   9.531   3.226
  114   2HB   SER 263          2HB       SER 263  47.991   9.348   1.517
  115    HG   SER 263           HG       SER 263  46.247  10.985   2.806
  116    H    LEU 264           H        LEU 264  46.259   6.249   2.240
  117    HA   LEU 264           HA       LEU 264  45.572   6.649  -0.550
  118   1HB   LEU 264          1HB       LEU 264  45.859   4.147   1.129
  119   2HB   LEU 264          2HB       LEU 264  45.534   4.153  -0.604
  120    HG   LEU 264           HG       LEU 264  47.792   5.867   0.168
  121   1HD1  LEU 264          1HD1      LEU 264  47.943   2.863   0.572
  122   2HD1  LEU 264          2HD1      LEU 264  48.129   4.091   1.824
  123   3HD1  LEU 264          3HD1      LEU 264  49.333   3.949   0.542
  124   1HD2  LEU 264          1HD2      LEU 264  47.070   5.156  -2.160
  125   2HD2  LEU 264          2HD2      LEU 264  47.626   3.532  -1.757
  126   3HD2  LEU 264          3HD2      LEU 264  48.772   4.871  -1.796
  127    H    LEU 265           H        LEU 265  44.004   5.328   2.353
  128    HA   LEU 265           HA       LEU 265  41.502   4.868   0.984
  129   1HB   LEU 265          1HB       LEU 265  42.636   4.343   3.638
  130   2HB   LEU 265          2HB       LEU 265  40.929   4.787   3.672
  131    HG   LEU 265           HG       LEU 265  40.407   3.046   2.038
  132   1HD1  LEU 265          1HD1      LEU 265  43.317   3.096   1.713
  133   2HD1  LEU 265          2HD1      LEU 265  42.076   2.515   0.605
  134   3HD1  LEU 265          3HD1      LEU 265  42.680   1.461   1.882
  135   1HD2  LEU 265          1HD2      LEU 265  40.328   1.457   3.655
  136   2HD2  LEU 265          2HD2      LEU 265  41.159   2.635   4.672
  137   3HD2  LEU 265          3HD2      LEU 265  42.085   1.409   3.805
  138    H    ASN 266           H        ASN 266  42.990   7.627   1.813
  139    HA   ASN 266           HA       ASN 266  41.443   9.245   3.330
  140   1HB   ASN 266          1HB       ASN 266  41.939  11.059   1.566
  141   2HB   ASN 266          2HB       ASN 266  43.310  10.248   2.318
  142   1HD2  ASN 266          1HD2      ASN 266  41.706   8.110   0.221
  143   2HD2  ASN 266          2HD2      ASN 266  42.710   8.300  -1.134
  144    H    ASP 267           H        ASP 267  40.917   9.782  -0.106
  145    HA   ASP 267           HA       ASP 267  38.051  10.055   0.415
  146   1HB   ASP 267          1HB       ASP 267  39.269  10.589  -2.258
  147   2HB   ASP 267          2HB       ASP 267  37.960  11.432  -1.432
  148    H    ALA 268           H        ALA 268  40.286   7.896  -1.096
  149    HA   ALA 268           HA       ALA 268  38.888   6.671  -3.100
  150   1HB   ALA 268          1HB       ALA 268  40.901   5.631  -2.852
  151   2HB   ALA 268          2HB       ALA 268  39.939   4.483  -1.920
  152   3HB   ALA 268          3HB       ALA 268  40.858   5.740  -1.092
  153    H    VAL 269           H        VAL 269  38.282   6.475   0.348
  154    HA   VAL 269           HA       VAL 269  36.314   4.358   0.061
  155    HB   VAL 269           HB       VAL 269  36.018   4.590   2.464
  156   1HG1  VAL 269          1HG1      VAL 269  38.374   4.217   3.177
  157   2HG1  VAL 269          2HG1      VAL 269  38.920   4.811   1.609
  158   3HG1  VAL 269          3HG1      VAL 269  37.974   3.326   1.708
  159   1HG2  VAL 269          1HG2      VAL 269  37.719   6.396   3.472
  160   2HG2  VAL 269          2HG2      VAL 269  36.063   6.826   3.044
  161   3HG2  VAL 269          3HG2      VAL 269  37.383   7.195   1.935
  162    H    THR 270           H        THR 270  36.411   7.810   0.036
  163    HA   THR 270           HA       THR 270  33.622   8.189   0.691
  164    HB   THR 270           HB       THR 270  35.818   9.993  -0.302
  165    HG1  THR 270           HG1      THR 270  34.510   9.415   2.055
  166   1HG2  THR 270          1HG2      THR 270  32.855  10.452  -0.219
  167   2HG2  THR 270          2HG2      THR 270  34.029  10.971  -1.429
  168   3HG2  THR 270          3HG2      THR 270  33.953  11.788   0.133
  169    H    VAL 271           H        VAL 271  35.576   8.622  -2.271
  170    HA   VAL 271           HA       VAL 271  33.592   9.250  -4.069
  171    HB   VAL 271           HB       VAL 271  35.058   8.609  -5.769
  172   1HG1  VAL 271          1HG1      VAL 271  36.073   9.965  -3.657
  173   2HG1  VAL 271          2HG1      VAL 271  37.005   9.622  -5.114
  174   3HG1  VAL 271          3HG1      VAL 271  37.182   8.594  -3.693
  175   1HG2  VAL 271          1HG2      VAL 271  35.228   6.274  -5.530
  176   2HG2  VAL 271          2HG2      VAL 271  35.807   6.393  -3.869
  177   3HG2  VAL 271          3HG2      VAL 271  36.874   6.820  -5.208
  178    H    VAL 272           H        VAL 272  33.920   6.386  -2.282
  179    HA   VAL 272           HA       VAL 272  32.441   4.710  -4.139
  180    HB   VAL 272           HB       VAL 272  33.387   4.237  -1.305
  181   1HG1  VAL 272          1HG1      VAL 272  31.503   2.822  -1.598
  182   2HG1  VAL 272          2HG1      VAL 272  32.888   1.806  -1.995
  183   3HG1  VAL 272          3HG1      VAL 272  31.907   2.501  -3.284
  184   1HG2  VAL 272          1HG2      VAL 272  34.779   4.286  -3.734
  185   2HG2  VAL 272          2HG2      VAL 272  34.473   2.574  -3.437
  186   3HG2  VAL 272          3HG2      VAL 272  35.325   3.540  -2.233
  187    H    LEU 273           H        LEU 273  31.911   6.418  -1.098
  188    HA   LEU 273           HA       LEU 273  29.095   5.595  -1.072
  189   1HB   LEU 273          1HB       LEU 273  31.024   6.288   0.932
  190   2HB   LEU 273          2HB       LEU 273  29.657   7.397   1.043
  191    HG   LEU 273           HG       LEU 273  28.110   5.450   1.052
  192   1HD1  LEU 273          1HD1      LEU 273  29.911   3.375   1.758
  193   2HD1  LEU 273          2HD1      LEU 273  30.522   4.090   0.267
  194   3HD1  LEU 273          3HD1      LEU 273  28.876   3.461   0.333
  195   1HD2  LEU 273          1HD2      LEU 273  30.118   6.063   3.112
  196   2HD2  LEU 273          2HD2      LEU 273  29.396   4.464   3.288
  197   3HD2  LEU 273          3HD2      LEU 273  28.369   5.897   3.264
  198    H    TYR 274           H        TYR 274  31.089   8.208  -2.022
  199    HA   TYR 274           HA       TYR 274  28.950  10.189  -1.865
  200   1HB   TYR 274          1HB       TYR 274  30.959  11.221  -1.367
  201   2HB   TYR 274          2HB       TYR 274  31.868  10.246  -2.521
  202    HD1  TYR 274           HD1      TYR 274  32.134  10.929  -4.793
  203    HD2  TYR 274           HD2      TYR 274  29.427  13.032  -2.206
  204    HE1  TYR 274           HE1      TYR 274  31.895  12.716  -6.497
  205    HE2  TYR 274           HE2      TYR 274  29.186  14.818  -3.909
  206    HH   TYR 274           HH       TYR 274  30.999  14.685  -6.978
  207    H    LYS 275           H        LYS 275  31.187   9.275  -4.495
  208    HA   LYS 275           HA       LYS 275  29.335  10.124  -6.511
  209   1HB   LYS 275          1HB       LYS 275  31.683  10.298  -6.988
  210   2HB   LYS 275          2HB       LYS 275  31.932   8.584  -6.656
  211   1HG   LYS 275          1HG       LYS 275  31.105   7.935  -8.682
  212   2HG   LYS 275          2HG       LYS 275  29.878   9.202  -8.698
  213   1HD   LYS 275          1HD       LYS 275  32.792   9.897  -9.013
  214   2HD   LYS 275          2HD       LYS 275  31.843   9.363 -10.401
  215   1HE   LYS 275          1HE       LYS 275  30.605  11.283 -10.463
  216   2HE   LYS 275          2HE       LYS 275  30.573  11.440  -8.707
  217   1HZ   LYS 275          1HZ       LYS 275  32.584  12.501  -8.670
  218   2HZ   LYS 275          2HZ       LYS 275  31.964  13.076 -10.143
  219   3HZ   LYS 275          3HZ       LYS 275  33.111  11.823 -10.132
  220    H    LYS 276           H        LYS 276  30.749   6.902  -5.867
  221    HA   LYS 276           HA       LYS 276  28.749   5.568  -7.427
  222   1HB   LYS 276          1HB       LYS 276  30.485   4.253  -5.342
  223   2HB   LYS 276          2HB       LYS 276  29.837   3.558  -6.827
  224   1HG   LYS 276          1HG       LYS 276  31.270   5.711  -7.777
  225   2HG   LYS 276          2HG       LYS 276  32.264   5.169  -6.425
  226   1HD   LYS 276          1HD       LYS 276  31.261   3.431  -8.699
  227   2HD   LYS 276          2HD       LYS 276  32.918   3.996  -8.481
  228   1HE   LYS 276          1HE       LYS 276  33.289   2.126  -7.276
  229   2HE   LYS 276          2HE       LYS 276  32.256   2.825  -6.028
  230   1HZ   LYS 276          1HZ       LYS 276  30.355   1.878  -7.438
  231   2HZ   LYS 276          2HZ       LYS 276  31.260   0.804  -6.483
  232   3HZ   LYS 276          3HZ       LYS 276  31.546   0.908  -8.154
  233   1HN   NH2 277          1HN       NH2 277  27.876   7.257  -4.997
  234   2HN   NH2 277          2HN       NH2 277  26.875   6.194  -4.112
  Start of MODEL   40
    1   1H    HIS 250          1H        HIS 250  33.644 -11.377   0.327
    2   2H    HIS 250          2H        HIS 250  33.920 -13.005   0.730
    3   3H    HIS 250          3H        HIS 250  34.814 -12.272  -0.515
    4    HA   HIS 250           HA       HIS 250  34.991 -11.773   2.397
    5   1HB   HIS 250          1HB       HIS 250  36.471 -13.309   0.462
    6   2HB   HIS 250          2HB       HIS 250  37.500 -12.025   1.100
    7    HD2  HIS 250           HD2      HIS 250  36.646 -11.985   4.223
    8    HE1  HIS 250           HE1      HIS 250  37.272 -16.159   4.181
    9    HE2  HIS 250           HE2      HIS 250  37.029 -14.121   5.676
   10    H    ILE 251           H        ILE 251  35.951  -9.888   3.085
   11    HA   ILE 251           HA       ILE 251  36.148  -7.755   1.073
   12    HB   ILE 251           HB       ILE 251  36.337  -6.365   3.305
   13   1HG1  ILE 251          1HG1      ILE 251  35.154  -7.421   5.169
   14   2HG1  ILE 251          2HG1      ILE 251  34.939  -8.898   4.231
   15   1HG2  ILE 251          1HG2      ILE 251  33.946  -7.629   2.005
   16   2HG2  ILE 251          2HG2      ILE 251  34.457  -5.941   2.000
   17   3HG2  ILE 251          3HG2      ILE 251  33.716  -6.632   3.442
   18   1HD1  ILE 251          1HD1      ILE 251  36.893  -8.858   5.907
   19   2HD1  ILE 251          2HD1      ILE 251  37.681  -7.755   4.781
   20   3HD1  ILE 251          3HD1      ILE 251  37.261  -9.390   4.267
   21    H    ASN 252           H        ASN 252  38.193  -9.941   1.996
   22    HA   ASN 252           HA       ASN 252  40.405  -8.249   2.876
   23   1HB   ASN 252          1HB       ASN 252  41.174 -10.152   3.769
   24   2HB   ASN 252          2HB       ASN 252  39.734 -10.973   3.171
   25   1HD2  ASN 252          1HD2      ASN 252  39.887 -11.979   0.978
   26   2HD2  ASN 252          2HD2      ASN 252  41.408 -12.429   0.372
   27    H    GLU 253           H        GLU 253  39.644 -10.400   0.147
   28    HA   GLU 253           HA       GLU 253  41.825 -10.194  -1.444
   29   1HB   GLU 253          1HB       GLU 253  39.887  -9.818  -3.325
   30   2HB   GLU 253          2HB       GLU 253  40.282 -11.379  -2.605
   31   1HG   GLU 253          1HG       GLU 253  38.478 -11.262  -1.082
   32   2HG   GLU 253          2HG       GLU 253  38.281  -9.524  -1.316
   33    H    LEU 254           H        LEU 254  39.285  -7.737  -1.149
   34    HA   LEU 254           HA       LEU 254  40.303  -5.929  -3.053
   35   1HB   LEU 254          1HB       LEU 254  38.355  -5.824  -0.825
   36   2HB   LEU 254          2HB       LEU 254  39.038  -4.279  -1.334
   37    HG   LEU 254           HG       LEU 254  38.371  -4.700  -3.643
   38   1HD1  LEU 254          1HD1      LEU 254  37.848  -7.410  -2.529
   39   2HD1  LEU 254          2HD1      LEU 254  38.441  -6.944  -4.123
   40   3HD1  LEU 254          3HD1      LEU 254  36.720  -6.829  -3.755
   41   1HD2  LEU 254          1HD2      LEU 254  36.574  -4.419  -1.430
   42   2HD2  LEU 254          2HD2      LEU 254  35.786  -5.413  -2.654
   43   3HD2  LEU 254          3HD2      LEU 254  36.382  -3.807  -3.074
   44    H    LEU 255           H        LEU 255  41.920  -6.995  -0.446
   45    HA   LEU 255           HA       LEU 255  42.860  -4.958   1.079
   46   1HB   LEU 255          1HB       LEU 255  45.063  -6.100   1.108
   47   2HB   LEU 255          2HB       LEU 255  43.722  -7.225   1.310
   48    HG   LEU 255           HG       LEU 255  44.064  -7.072  -1.454
   49   1HD1  LEU 255          1HD1      LEU 255  46.775  -7.395  -0.143
   50   2HD1  LEU 255          2HD1      LEU 255  46.250  -5.904  -0.927
   51   3HD1  LEU 255          3HD1      LEU 255  46.414  -7.386  -1.870
   52   1HD2  LEU 255          1HD2      LEU 255  43.527  -9.103  -0.232
   53   2HD2  LEU 255          2HD2      LEU 255  45.089  -9.070   0.585
   54   3HD2  LEU 255          3HD2      LEU 255  45.007  -9.383  -1.148
   55    H    HIS 256           H        HIS 256  43.222  -5.284  -2.336
   56    HA   HIS 256           HA       HIS 256  45.461  -3.927  -3.041
   57   1HB   HIS 256          1HB       HIS 256  42.756  -4.165  -4.166
   58   2HB   HIS 256          2HB       HIS 256  43.635  -2.730  -4.697
   59    HD2  HIS 256           HD2      HIS 256  44.854  -6.511  -4.263
   60    HE1  HIS 256           HE1      HIS 256  46.196  -5.016  -7.977
   61    HE2  HIS 256           HE2      HIS 256  46.207  -7.034  -6.437
   62    H    ILE 257           H        ILE 257  42.518  -2.532  -1.681
   63    HA   ILE 257           HA       ILE 257  43.562   0.174  -1.871
   64    HB   ILE 257           HB       ILE 257  41.012  -1.037  -0.823
   65   1HG1  ILE 257          1HG1      ILE 257  40.032   0.422  -2.548
   66   2HG1  ILE 257          2HG1      ILE 257  41.630   1.069  -2.921
   67   1HG2  ILE 257          1HG2      ILE 257  42.183   1.685  -0.318
   68   2HG2  ILE 257          2HG2      ILE 257  41.299   0.634   0.788
   69   3HG2  ILE 257          3HG2      ILE 257  40.437   1.501  -0.482
   70   1HD1  ILE 257          1HD1      ILE 257  41.159  -1.898  -3.030
   71   2HD1  ILE 257          2HD1      ILE 257  42.361  -0.932  -3.886
   72   3HD1  ILE 257          3HD1      ILE 257  40.671  -0.881  -4.386
   73    H    LEU 258           H        LEU 258  42.750  -2.150   0.701
   74    HA   LEU 258           HA       LEU 258  43.405  -0.637   2.926
   75   1HB   LEU 258          1HB       LEU 258  44.022  -3.579   2.581
   76   2HB   LEU 258          2HB       LEU 258  43.742  -2.723   4.097
   77    HG   LEU 258           HG       LEU 258  41.712  -3.062   1.866
   78   1HD1  LEU 258          1HD1      LEU 258  42.512  -4.832   3.925
   79   2HD1  LEU 258          2HD1      LEU 258  41.102  -4.977   2.876
   80   3HD1  LEU 258          3HD1      LEU 258  40.965  -4.153   4.429
   81   1HD2  LEU 258          1HD2      LEU 258  40.230  -2.231   3.886
   82   2HD2  LEU 258          2HD2      LEU 258  41.095  -1.058   2.893
   83   3HD2  LEU 258          3HD2      LEU 258  41.750  -1.542   4.458
   84    H    VAL 259           H        VAL 259  45.432  -1.495   0.389
   85    HA   VAL 259           HA       VAL 259  47.880  -1.571   1.978
   86    HB   VAL 259           HB       VAL 259  47.264  -1.863  -0.958
   87   1HG1  VAL 259          1HG1      VAL 259  49.863  -1.243   0.406
   88   2HG1  VAL 259          2HG1      VAL 259  49.267  -0.698  -1.161
   89   3HG1  VAL 259          3HG1      VAL 259  49.865  -2.345  -0.971
   90   1HG2  VAL 259          1HG2      VAL 259  48.089  -4.083  -0.636
   91   2HG2  VAL 259          2HG2      VAL 259  47.042  -3.765   0.747
   92   3HG2  VAL 259          3HG2      VAL 259  48.795  -3.671   0.927
   93    H    PHE 260           H        PHE 260  47.188   0.229  -1.009
   94    HA   PHE 260           HA       PHE 260  48.830   2.432  -0.115
   95   1HB   PHE 260          1HB       PHE 260  48.406   3.381  -2.299
   96   2HB   PHE 260          2HB       PHE 260  48.746   1.661  -2.494
   97    HD1  PHE 260           HD1      PHE 260  46.004   4.174  -2.299
   98    HD2  PHE 260           HD2      PHE 260  47.117   0.170  -3.387
   99    HE1  PHE 260           HE1      PHE 260  43.803   3.859  -3.396
  100    HE2  PHE 260           HE2      PHE 260  44.916  -0.143  -4.486
  101    HZ   PHE 260           HZ       PHE 260  43.259   1.703  -4.490
  102    H    GLY 261           H        GLY 261  45.694   1.540   0.498
  103   1HA   GLY 261          1HA       GLY 261  44.388   4.091   0.306
  104   2HA   GLY 261          2HA       GLY 261  43.775   2.666   1.137
  105    H    GLU 262           H        GLU 262  45.874   2.221   2.935
  106    HA   GLU 262           HA       GLU 262  45.206   3.612   5.166
  107   1HB   GLU 262          1HB       GLU 262  47.857   2.461   4.322
  108   2HB   GLU 262          2HB       GLU 262  47.649   3.221   5.899
  109   1HG   GLU 262          1HG       GLU 262  45.616   1.207   5.043
  110   2HG   GLU 262          2HG       GLU 262  47.197   0.617   5.551
  111    H    SER 263           H        SER 263  46.961   4.846   2.465
  112    HA   SER 263           HA       SER 263  47.938   7.165   3.966
  113   1HB   SER 263          1HB       SER 263  48.926   7.762   1.696
  114   2HB   SER 263          2HB       SER 263  49.547   6.300   2.456
  115    HG   SER 263           HG       SER 263  47.997   5.139   1.177
  116    H    LEU 264           H        LEU 264  46.347   6.818   0.789
  117    HA   LEU 264           HA       LEU 264  45.069   9.414   1.158
  118   1HB   LEU 264          1HB       LEU 264  44.222   8.769  -1.254
  119   2HB   LEU 264          2HB       LEU 264  45.881   9.303  -0.999
  120    HG   LEU 264           HG       LEU 264  45.359   6.388  -0.685
  121   1HD1  LEU 264          1HD1      LEU 264  45.077   7.914  -3.262
  122   2HD1  LEU 264          2HD1      LEU 264  44.126   6.551  -2.668
  123   3HD1  LEU 264          3HD1      LEU 264  45.761   6.289  -3.276
  124   1HD2  LEU 264          1HD2      LEU 264  47.520   7.720  -2.303
  125   2HD2  LEU 264          2HD2      LEU 264  47.592   6.219  -1.379
  126   3HD2  LEU 264          3HD2      LEU 264  47.593   7.770  -0.541
  127    H    LEU 265           H        LEU 265  44.248   6.800   2.555
  128    HA   LEU 265           HA       LEU 265  41.967   5.613   1.832
  129   1HB   LEU 265          1HB       LEU 265  41.183   5.779   4.222
  130   2HB   LEU 265          2HB       LEU 265  42.837   5.205   4.025
  131    HG   LEU 265           HG       LEU 265  42.623   8.131   4.232
  132   1HD1  LEU 265          1HD1      LEU 265  42.257   8.030   6.720
  133   2HD1  LEU 265          2HD1      LEU 265  41.778   6.343   6.528
  134   3HD1  LEU 265          3HD1      LEU 265  40.826   7.622   5.773
  135   1HD2  LEU 265          1HD2      LEU 265  44.201   6.022   5.741
  136   2HD2  LEU 265          2HD2      LEU 265  44.493   7.760   5.801
  137   3HD2  LEU 265          3HD2      LEU 265  44.747   6.876   4.298
  138    H    ASN 266           H        ASN 266  42.246   9.027   2.539
  139    HA   ASN 266           HA       ASN 266  39.603   9.752   2.956
  140   1HB   ASN 266          1HB       ASN 266  42.004  11.087   1.851
  141   2HB   ASN 266          2HB       ASN 266  40.455  11.825   1.448
  142   1HD2  ASN 266          1HD2      ASN 266  42.751  11.279   4.026
  143   2HD2  ASN 266          2HD2      ASN 266  41.893  12.112   5.229
  144    H    ASP 267           H        ASP 267  41.307   9.536  -0.173
  145    HA   ASP 267           HA       ASP 267  38.753   9.708  -1.589
  146   1HB   ASP 267          1HB       ASP 267  41.550  10.233  -2.217
  147   2HB   ASP 267          2HB       ASP 267  40.754   9.281  -3.469
  148    H    ALA 268           H        ALA 268  40.883   7.337  -0.393
  149    HA   ALA 268           HA       ALA 268  40.225   5.325  -2.387
  150   1HB   ALA 268          1HB       ALA 268  42.072   4.326  -1.608
  151   2HB   ALA 268          2HB       ALA 268  41.389   4.243   0.016
  152   3HB   ALA 268          3HB       ALA 268  42.283   5.676  -0.493
  153    H    VAL 269           H        VAL 269  39.655   5.764   1.112
  154    HA   VAL 269           HA       VAL 269  38.005   3.561   1.527
  155    HB   VAL 269           HB       VAL 269  38.963   5.306   3.209
  156   1HG1  VAL 269          1HG1      VAL 269  37.519   7.117   1.999
  157   2HG1  VAL 269          2HG1      VAL 269  37.606   7.141   3.762
  158   3HG1  VAL 269          3HG1      VAL 269  36.193   6.458   2.957
  159   1HG2  VAL 269          1HG2      VAL 269  37.890   3.575   4.282
  160   2HG2  VAL 269          2HG2      VAL 269  36.442   3.718   3.285
  161   3HG2  VAL 269          3HG2      VAL 269  36.712   4.845   4.614
  162    H    THR 270           H        THR 270  37.462   6.131  -0.529
  163    HA   THR 270           HA       THR 270  34.559   6.173  -0.230
  164    HB   THR 270           HB       THR 270  36.383   7.588  -2.190
  165    HG1  THR 270           HG1      THR 270  36.512   9.045  -0.698
  166   1HG2  THR 270          1HG2      THR 270  33.972   8.952  -2.009
  167   2HG2  THR 270          2HG2      THR 270  33.483   7.258  -2.038
  168   3HG2  THR 270          3HG2      THR 270  34.469   7.912  -3.345
  169    H    VAL 271           H        VAL 271  37.031   4.820  -2.304
  170    HA   VAL 271           HA       VAL 271  35.271   4.031  -4.420
  171    HB   VAL 271           HB       VAL 271  38.033   3.064  -3.644
  172   1HG1  VAL 271          1HG1      VAL 271  37.943   2.357  -6.158
  173   2HG1  VAL 271          2HG1      VAL 271  36.194   2.402  -5.935
  174   3HG1  VAL 271          3HG1      VAL 271  37.180   1.314  -4.958
  175   1HG2  VAL 271          1HG2      VAL 271  38.828   4.573  -5.312
  176   2HG2  VAL 271          2HG2      VAL 271  37.653   5.497  -4.377
  177   3HG2  VAL 271          3HG2      VAL 271  37.206   4.839  -5.951
  178    H    VAL 272           H        VAL 272  36.268   2.652  -1.376
  179    HA   VAL 272           HA       VAL 272  35.114   0.046  -2.029
  180    HB   VAL 272           HB       VAL 272  36.456   1.062   0.487
  181   1HG1  VAL 272          1HG1      VAL 272  35.229  -0.698   1.327
  182   2HG1  VAL 272          2HG1      VAL 272  36.592  -1.609   0.677
  183   3HG1  VAL 272          3HG1      VAL 272  35.093  -1.489  -0.243
  184   1HG2  VAL 272          1HG2      VAL 272  38.231  -0.598  -0.337
  185   2HG2  VAL 272          2HG2      VAL 272  38.087   0.904  -1.249
  186   3HG2  VAL 272          3HG2      VAL 272  37.377  -0.583  -1.880
  187    H    LEU 273           H        LEU 273  33.962   2.976  -1.011
  188    HA   LEU 273           HA       LEU 273  32.136   2.100   1.036
  189   1HB   LEU 273          1HB       LEU 273  32.809   4.614  -0.327
  190   2HB   LEU 273          2HB       LEU 273  31.100   4.457   0.077
  191    HG   LEU 273           HG       LEU 273  33.269   3.854   2.092
  192   1HD1  LEU 273          1HD1      LEU 273  32.254   6.304   2.811
  193   2HD1  LEU 273          2HD1      LEU 273  32.347   6.452   1.057
  194   3HD1  LEU 273          3HD1      LEU 273  33.793   6.060   1.987
  195   1HD2  LEU 273          1HD2      LEU 273  30.535   3.434   2.101
  196   2HD2  LEU 273          2HD2      LEU 273  30.685   4.985   2.925
  197   3HD2  LEU 273          3HD2      LEU 273  31.542   3.575   3.543
  198    H    TYR 274           H        TYR 274  31.149   3.795  -1.904
  199    HA   TYR 274           HA       TYR 274  28.832   2.024  -2.111
  200   1HB   TYR 274          1HB       TYR 274  27.880   3.669  -3.533
  201   2HB   TYR 274          2HB       TYR 274  28.700   4.570  -2.259
  202    HD1  TYR 274           HD1      TYR 274  31.079   5.410  -2.706
  203    HD2  TYR 274           HD2      TYR 274  28.474   3.967  -5.801
  204    HE1  TYR 274           HE1      TYR 274  32.468   6.558  -4.410
  205    HE2  TYR 274           HE2      TYR 274  29.862   5.115  -7.505
  206    HH   TYR 274           HH       TYR 274  31.479   6.711  -7.786
  207    H    LYS 275           H        LYS 275  31.506   3.186  -4.152
  208    HA   LYS 275           HA       LYS 275  31.013   1.888  -6.511
  209   1HB   LYS 275          1HB       LYS 275  33.330   2.962  -5.169
  210   2HB   LYS 275          2HB       LYS 275  33.761   1.496  -6.048
  211   1HG   LYS 275          1HG       LYS 275  32.175   3.774  -7.267
  212   2HG   LYS 275          2HG       LYS 275  33.924   3.609  -7.421
  213   1HD   LYS 275          1HD       LYS 275  33.709   2.061  -9.043
  214   2HD   LYS 275          2HD       LYS 275  32.591   1.111  -8.063
  215   1HE   LYS 275          1HE       LYS 275  31.501   1.868 -10.140
  216   2HE   LYS 275          2HE       LYS 275  30.738   2.604  -8.729
  217   1HZ   LYS 275          1HZ       LYS 275  31.067   4.484  -9.884
  218   2HZ   LYS 275          2HZ       LYS 275  32.311   3.826 -10.836
  219   3HZ   LYS 275          3HZ       LYS 275  32.645   4.385  -9.268
  220    H    LYS 276           H        LYS 276  33.316   0.490  -4.185
  221    HA   LYS 276           HA       LYS 276  33.837  -1.695  -3.696
  222   1HB   LYS 276          1HB       LYS 276  30.842  -1.771  -3.982
  223   2HB   LYS 276          2HB       LYS 276  31.757  -3.235  -3.617
  224   1HG   LYS 276          1HG       LYS 276  32.365  -2.501  -1.519
  225   2HG   LYS 276          2HG       LYS 276  32.374  -0.804  -2.002
  226   1HD   LYS 276          1HD       LYS 276  30.492  -1.298  -0.469
  227   2HD   LYS 276          2HD       LYS 276  29.917  -0.790  -2.057
  228   1HE   LYS 276          1HE       LYS 276  30.355  -3.696  -1.787
  229   2HE   LYS 276          2HE       LYS 276  29.066  -3.050  -0.771
  230   1HZ   LYS 276          1HZ       LYS 276  28.148  -3.642  -2.874
  231   2HZ   LYS 276          2HZ       LYS 276  29.338  -2.765  -3.712
  232   3HZ   LYS 276          3HZ       LYS 276  28.174  -1.948  -2.782
  233   1HN   NH2 277          1HN       NH2 277  33.619  -0.782  -6.680
  234   2HN   NH2 277          2HN       NH2 277  33.631  -2.264  -7.528
  Start of MODEL   41
    1   1H    HIS 250          1H        HIS 250  60.963  -2.343   2.311
    2   2H    HIS 250          2H        HIS 250  61.238  -3.991   2.624
    3   3H    HIS 250          3H        HIS 250  60.249  -3.079   3.663
    4    HA   HIS 250           HA       HIS 250  58.452  -3.258   2.363
    5   1HB   HIS 250          1HB       HIS 250  60.054  -1.989   0.591
    6   2HB   HIS 250          2HB       HIS 250  59.880  -3.542  -0.227
    7    HD2  HIS 250           HD2      HIS 250  56.633  -3.878   0.919
    8    HE1  HIS 250           HE1      HIS 250  56.048  -0.564  -1.631
    9    HE2  HIS 250           HE2      HIS 250  54.880  -2.434  -0.369
   10    H    ILE 251           H        ILE 251  57.607  -5.213   2.703
   11    HA   ILE 251           HA       ILE 251  59.067  -7.592   1.752
   12    HB   ILE 251           HB       ILE 251  56.703  -7.638   3.616
   13   1HG1  ILE 251          1HG1      ILE 251  58.876  -7.834   5.266
   14   2HG1  ILE 251          2HG1      ILE 251  59.438  -6.625   4.113
   15   1HG2  ILE 251          1HG2      ILE 251  59.034  -9.443   3.896
   16   2HG2  ILE 251          2HG2      ILE 251  58.109  -9.632   2.406
   17   3HG2  ILE 251          3HG2      ILE 251  57.311  -9.811   3.968
   18   1HD1  ILE 251          1HD1      ILE 251  57.365  -5.317   4.495
   19   2HD1  ILE 251          2HD1      ILE 251  58.281  -5.536   5.985
   20   3HD1  ILE 251          3HD1      ILE 251  56.844  -6.513   5.681
   21    H    ASN 252           H        ASN 252  56.322  -8.947   2.241
   22    HA   ASN 252           HA       ASN 252  55.446  -8.688  -0.538
   23   1HB   ASN 252          1HB       ASN 252  53.875 -10.628   0.365
   24   2HB   ASN 252          2HB       ASN 252  55.553 -10.937  -0.078
   25   1HD2  ASN 252          1HD2      ASN 252  53.719  -9.813   2.833
   26   2HD2  ASN 252          2HD2      ASN 252  54.640 -10.722   3.931
   27    H    GLU 253           H        GLU 253  54.773  -7.073   2.200
   28    HA   GLU 253           HA       GLU 253  51.955  -7.132   2.384
   29   1HB   GLU 253          1HB       GLU 253  52.432  -4.699   3.313
   30   2HB   GLU 253          2HB       GLU 253  52.911  -6.124   4.235
   31   1HG   GLU 253          1HG       GLU 253  55.160  -5.877   3.711
   32   2HG   GLU 253          2HG       GLU 253  54.822  -4.994   2.222
   33    H    LEU 254           H        LEU 254  53.792  -6.277  -0.178
   34    HA   LEU 254           HA       LEU 254  53.052  -3.887  -1.211
   35   1HB   LEU 254          1HB       LEU 254  54.279  -5.998  -2.268
   36   2HB   LEU 254          2HB       LEU 254  52.703  -6.221  -3.030
   37    HG   LEU 254           HG       LEU 254  52.921  -3.642  -3.541
   38   1HD1  LEU 254          1HD1      LEU 254  55.038  -2.726  -3.511
   39   2HD1  LEU 254          2HD1      LEU 254  55.830  -4.285  -3.740
   40   3HD1  LEU 254          3HD1      LEU 254  55.202  -3.840  -2.153
   41   1HD2  LEU 254          1HD2      LEU 254  52.791  -5.355  -5.271
   42   2HD2  LEU 254          2HD2      LEU 254  54.472  -5.812  -4.988
   43   3HD2  LEU 254          3HD2      LEU 254  54.091  -4.234  -5.677
   44    H    LEU 255           H        LEU 255  50.990  -6.716  -0.849
   45    HA   LEU 255           HA       LEU 255  48.742  -5.254  -2.070
   46   1HB   LEU 255          1HB       LEU 255  49.031  -8.181  -1.361
   47   2HB   LEU 255          2HB       LEU 255  47.618  -7.451  -2.124
   48    HG   LEU 255           HG       LEU 255  50.223  -6.882  -3.426
   49   1HD1  LEU 255          1HD1      LEU 255  48.924  -9.622  -3.514
   50   2HD1  LEU 255          2HD1      LEU 255  50.513  -9.251  -2.848
   51   3HD1  LEU 255          3HD1      LEU 255  50.221  -9.080  -4.578
   52   1HD2  LEU 255          1HD2      LEU 255  48.884  -6.996  -5.407
   53   2HD2  LEU 255          2HD2      LEU 255  47.883  -6.192  -4.198
   54   3HD2  LEU 255          3HD2      LEU 255  47.612  -7.892  -4.578
   55    H    HIS 256           H        HIS 256  50.046  -5.810   0.951
   56    HA   HIS 256           HA       HIS 256  47.521  -6.173   2.351
   57   1HB   HIS 256          1HB       HIS 256  50.344  -5.761   3.342
   58   2HB   HIS 256          2HB       HIS 256  48.954  -6.016   4.392
   59    HD2  HIS 256           HD2      HIS 256  49.686  -8.094   1.081
   60    HE1  HIS 256           HE1      HIS 256  49.613 -10.731   4.377
   61    HE2  HIS 256           HE2      HIS 256  49.801 -10.587   1.849
   62    H    ILE 257           H        ILE 257  50.026  -3.925   3.381
   63    HA   ILE 257           HA       ILE 257  48.008  -1.934   3.970
   64    HB   ILE 257           HB       ILE 257  49.929  -0.652   4.905
   65   1HG1  ILE 257          1HG1      ILE 257  51.915  -2.654   4.965
   66   2HG1  ILE 257          2HG1      ILE 257  51.393  -2.558   3.285
   67   1HG2  ILE 257          1HG2      ILE 257  50.536  -2.469   6.625
   68   2HG2  ILE 257          2HG2      ILE 257  49.490  -3.535   5.688
   69   3HG2  ILE 257          3HG2      ILE 257  48.825  -2.086   6.440
   70   1HD1  ILE 257          1HD1      ILE 257  51.754  -0.130   3.287
   71   2HD1  ILE 257          2HD1      ILE 257  53.234  -0.966   3.761
   72   3HD1  ILE 257          3HD1      ILE 257  52.229  -0.191   4.985
   73    H    LEU 258           H        LEU 258  50.639  -2.364   1.657
   74    HA   LEU 258           HA       LEU 258  50.838   0.201   0.620
   75   1HB   LEU 258          1HB       LEU 258  51.427  -2.513  -0.290
   76   2HB   LEU 258          2HB       LEU 258  51.044  -1.417  -1.615
   77    HG   LEU 258           HG       LEU 258  53.484  -1.469  -1.029
   78   1HD1  LEU 258          1HD1      LEU 258  51.789   0.791  -1.438
   79   2HD1  LEU 258          2HD1      LEU 258  53.487   0.611  -1.880
   80   3HD1  LEU 258          3HD1      LEU 258  53.051   1.265  -0.301
   81   1HD2  LEU 258          1HD2      LEU 258  52.596  -1.486   1.565
   82   2HD2  LEU 258          2HD2      LEU 258  53.062   0.203   1.365
   83   3HD2  LEU 258          3HD2      LEU 258  54.241  -1.077   1.079
   84    H    VAL 259           H        VAL 259  48.102  -1.743   0.708
   85    HA   VAL 259           HA       VAL 259  46.913  -0.667  -1.735
   86    HB   VAL 259           HB       VAL 259  45.816  -2.541   0.373
   87   1HG1  VAL 259          1HG1      VAL 259  43.847  -1.760  -0.510
   88   2HG1  VAL 259          2HG1      VAL 259  44.246  -2.899  -1.796
   89   3HG1  VAL 259          3HG1      VAL 259  44.618  -1.186  -1.989
   90   1HG2  VAL 259          1HG2      VAL 259  46.832  -2.989  -2.452
   91   2HG2  VAL 259          2HG2      VAL 259  46.092  -4.225  -1.435
   92   3HG2  VAL 259          3HG2      VAL 259  47.634  -3.506  -0.969
   93    H    PHE 260           H        PHE 260  45.468  -1.025   1.488
   94    HA   PHE 260           HA       PHE 260  43.611   0.952   1.397
   95   1HB   PHE 260          1HB       PHE 260  45.372   0.295   3.772
   96   2HB   PHE 260          2HB       PHE 260  43.834   1.154   3.849
   97    HD1  PHE 260           HD1      PHE 260  41.756  -0.034   2.862
   98    HD2  PHE 260           HD2      PHE 260  45.422  -2.056   3.825
   99    HE1  PHE 260           HE1      PHE 260  40.548  -2.198   2.916
  100    HE2  PHE 260           HE2      PHE 260  44.213  -4.221   3.879
  101    HZ   PHE 260           HZ       PHE 260  41.776  -4.293   3.424
  102    H    GLY 261           H        GLY 261  46.983   1.405   2.466
  103   1HA   GLY 261          1HA       GLY 261  48.228   3.328   2.765
  104   2HA   GLY 261          2HA       GLY 261  47.549   3.764   1.199
  105    H    GLU 262           H        GLU 262  47.456   4.306   4.608
  106    HA   GLU 262           HA       GLU 262  45.100   5.535   5.158
  107   1HB   GLU 262          1HB       GLU 262  47.892   6.411   5.909
  108   2HB   GLU 262          2HB       GLU 262  46.439   7.142   6.590
  109   1HG   GLU 262          1HG       GLU 262  45.976   5.328   7.883
  110   2HG   GLU 262          2HG       GLU 262  46.470   4.190   6.632
  111    H    SER 263           H        SER 263  47.452   6.569   2.856
  112    HA   SER 263           HA       SER 263  46.498   9.298   2.687
  113   1HB   SER 263          1HB       SER 263  48.758   9.097   2.100
  114   2HB   SER 263          2HB       SER 263  48.481   7.639   1.152
  115    HG   SER 263           HG       SER 263  48.291   8.939  -0.479
  116    H    LEU 264           H        LEU 264  46.236   6.337   0.738
  117    HA   LEU 264           HA       LEU 264  44.419   7.615  -1.138
  118   1HB   LEU 264          1HB       LEU 264  45.038   4.668  -0.974
  119   2HB   LEU 264          2HB       LEU 264  44.534   5.605  -2.381
  120    HG   LEU 264           HG       LEU 264  47.180   5.858  -0.922
  121   1HD1  LEU 264          1HD1      LEU 264  47.035   5.227  -3.812
  122   2HD1  LEU 264          2HD1      LEU 264  46.460   3.955  -2.733
  123   3HD1  LEU 264          3HD1      LEU 264  48.102   4.575  -2.568
  124   1HD2  LEU 264          1HD2      LEU 264  46.773   8.030  -1.688
  125   2HD2  LEU 264          2HD2      LEU 264  45.835   7.471  -3.073
  126   3HD2  LEU 264          3HD2      LEU 264  47.592   7.316  -3.077
  127    H    LEU 265           H        LEU 265  44.283   5.376   1.570
  128    HA   LEU 265           HA       LEU 265  41.841   4.213   1.416
  129   1HB   LEU 265          1HB       LEU 265  43.434   4.064   3.353
  130   2HB   LEU 265          2HB       LEU 265  42.836   5.628   3.899
  131    HG   LEU 265           HG       LEU 265  40.527   4.679   3.985
  132   1HD1  LEU 265          1HD1      LEU 265  40.352   2.842   2.606
  133   2HD1  LEU 265          2HD1      LEU 265  40.716   2.005   4.115
  134   3HD1  LEU 265          3HD1      LEU 265  41.996   2.299   2.940
  135   1HD2  LEU 265          1HD2      LEU 265  42.633   3.197   5.589
  136   2HD2  LEU 265          2HD2      LEU 265  40.922   3.294   6.006
  137   3HD2  LEU 265          3HD2      LEU 265  41.913   4.751   6.010
  138    H    ASN 266           H        ASN 266  42.430   7.551   2.497
  139    HA   ASN 266           HA       ASN 266  39.775   8.258   3.039
  140   1HB   ASN 266          1HB       ASN 266  42.187   9.849   2.189
  141   2HB   ASN 266          2HB       ASN 266  40.623  10.622   2.450
  142   1HD2  ASN 266          1HD2      ASN 266  42.810   8.295   4.147
  143   2HD2  ASN 266          2HD2      ASN 266  42.511   8.929   5.693
  144    H    ASP 267           H        ASP 267  41.511   9.573   0.234
  145    HA   ASP 267           HA       ASP 267  39.392  10.329  -1.301
  146   1HB   ASP 267          1HB       ASP 267  41.898   8.983  -2.333
  147   2HB   ASP 267          2HB       ASP 267  40.820  10.016  -3.269
  148    H    ALA 268           H        ALA 268  40.383   7.105  -0.560
  149    HA   ALA 268           HA       ALA 268  38.845   5.871  -2.693
  150   1HB   ALA 268          1HB       ALA 268  40.679   4.551  -2.165
  151   2HB   ALA 268          2HB       ALA 268  39.421   3.780  -1.199
  152   3HB   ALA 268          3HB       ALA 268  40.559   4.892  -0.439
  153    H    VAL 269           H        VAL 269  38.716   5.816   0.873
  154    HA   VAL 269           HA       VAL 269  36.343   4.481   1.247
  155    HB   VAL 269           HB       VAL 269  37.652   6.725   2.765
  156   1HG1  VAL 269          1HG1      VAL 269  34.995   5.385   3.289
  157   2HG1  VAL 269          2HG1      VAL 269  35.379   7.107   3.322
  158   3HG1  VAL 269          3HG1      VAL 269  35.964   6.049   4.604
  159   1HG2  VAL 269          1HG2      VAL 269  38.222   4.980   4.301
  160   2HG2  VAL 269          2HG2      VAL 269  38.539   4.330   2.694
  161   3HG2  VAL 269          3HG2      VAL 269  37.077   3.862   3.561
  162    H    THR 270           H        THR 270  36.807   7.510  -0.259
  163    HA   THR 270           HA       THR 270  34.155   8.546   0.258
  164    HB   THR 270           HB       THR 270  34.786  10.325  -1.295
  165    HG1  THR 270           HG1      THR 270  37.104   8.742  -1.702
  166   1HG2  THR 270          1HG2      THR 270  36.011   9.731   1.130
  167   2HG2  THR 270          2HG2      THR 270  36.065  11.285   0.296
  168   3HG2  THR 270          3HG2      THR 270  37.362  10.113   0.061
  169    H    VAL 271           H        VAL 271  35.459   6.214  -1.787
  170    HA   VAL 271           HA       VAL 271  33.005   6.199  -3.406
  171    HB   VAL 271           HB       VAL 271  35.751   5.824  -4.614
  172   1HG1  VAL 271          1HG1      VAL 271  32.946   6.056  -5.736
  173   2HG1  VAL 271          2HG1      VAL 271  34.042   4.679  -5.860
  174   3HG1  VAL 271          3HG1      VAL 271  34.399   6.170  -6.729
  175   1HG2  VAL 271          1HG2      VAL 271  33.946   8.252  -4.481
  176   2HG2  VAL 271          2HG2      VAL 271  35.203   8.072  -5.705
  177   3HG2  VAL 271          3HG2      VAL 271  35.637   8.135  -3.997
  178    H    VAL 272           H        VAL 272  35.932   4.546  -2.334
  179    HA   VAL 272           HA       VAL 272  35.218   1.971  -3.273
  180    HB   VAL 272           HB       VAL 272  37.034   2.773  -0.989
  181   1HG1  VAL 272          1HG1      VAL 272  36.246   0.171  -2.170
  182   2HG1  VAL 272          2HG1      VAL 272  36.879   0.533  -0.564
  183   3HG1  VAL 272          3HG1      VAL 272  37.978   0.406  -1.937
  184   1HG2  VAL 272          1HG2      VAL 272  38.771   2.199  -2.808
  185   2HG2  VAL 272          2HG2      VAL 272  37.901   3.723  -2.988
  186   3HG2  VAL 272          3HG2      VAL 272  37.434   2.321  -3.951
  187    H    LEU 273           H        LEU 273  34.021   3.872  -0.712
  188    HA   LEU 273           HA       LEU 273  33.070   1.549   0.806
  189   1HB   LEU 273          1HB       LEU 273  34.049   3.665   1.893
  190   2HB   LEU 273          2HB       LEU 273  32.518   4.435   1.468
  191    HG   LEU 273           HG       LEU 273  31.489   2.261   2.581
  192   1HD1  LEU 273          1HD1      LEU 273  34.054   1.564   2.923
  193   2HD1  LEU 273          2HD1      LEU 273  32.813   1.132   4.099
  194   3HD1  LEU 273          3HD1      LEU 273  33.854   2.526   4.387
  195   1HD2  LEU 273          1HD2      LEU 273  31.902   3.576   4.881
  196   2HD2  LEU 273          2HD2      LEU 273  30.831   4.205   3.630
  197   3HD2  LEU 273          3HD2      LEU 273  32.480   4.816   3.768
  198    H    TYR 274           H        TYR 274  31.710   4.481  -0.727
  199    HA   TYR 274           HA       TYR 274  29.015   3.528  -0.446
  200   1HB   TYR 274          1HB       TYR 274  29.708   5.649  -2.433
  201   2HB   TYR 274          2HB       TYR 274  28.354   5.560  -1.309
  202    HD1  TYR 274           HD1      TYR 274  29.777   4.969   1.241
  203    HD2  TYR 274           HD2      TYR 274  30.726   7.711  -1.927
  204    HE1  TYR 274           HE1      TYR 274  31.013   6.399   2.848
  205    HE2  TYR 274           HE2      TYR 274  31.962   9.140  -0.319
  206    HH   TYR 274           HH       TYR 274  33.195   8.532   2.107
  207    H    LYS 275           H        LYS 275  30.759   4.395  -3.437
  208    HA   LYS 275           HA       LYS 275  29.080   2.804  -5.087
  209   1HB   LYS 275          1HB       LYS 275  30.300   4.753  -5.946
  210   2HB   LYS 275          2HB       LYS 275  31.833   3.934  -5.643
  211   1HG   LYS 275          1HG       LYS 275  31.651   2.665  -7.512
  212   2HG   LYS 275          2HG       LYS 275  29.950   2.314  -7.209
  213   1HD   LYS 275          1HD       LYS 275  30.878   5.013  -8.206
  214   2HD   LYS 275          2HD       LYS 275  30.471   3.696  -9.306
  215   1HE   LYS 275          1HE       LYS 275  28.447   4.108  -7.225
  216   2HE   LYS 275          2HE       LYS 275  28.669   5.519  -8.260
  217   1HZ   LYS 275          1HZ       LYS 275  27.989   2.755  -9.078
  218   2HZ   LYS 275          2HZ       LYS 275  28.514   3.934 -10.182
  219   3HZ   LYS 275          3HZ       LYS 275  27.074   4.165  -9.308
  220    H    LYS 276           H        LYS 276  32.216   2.252  -3.562
  221    HA   LYS 276           HA       LYS 276  33.513   0.364  -3.365
  222   1HB   LYS 276          1HB       LYS 276  30.734  -0.781  -3.560
  223   2HB   LYS 276          2HB       LYS 276  32.147  -1.818  -3.360
  224   1HG   LYS 276          1HG       LYS 276  32.567  -1.070  -1.222
  225   2HG   LYS 276          2HG       LYS 276  31.911   0.535  -1.543
  226   1HD   LYS 276          1HD       LYS 276  29.666  -0.228  -1.350
  227   2HD   LYS 276          2HD       LYS 276  30.155  -1.921  -1.432
  228   1HE   LYS 276          1HE       LYS 276  30.618  -2.005   0.783
  229   2HE   LYS 276          2HE       LYS 276  31.460  -0.456   0.748
  230   1HZ   LYS 276          1HZ       LYS 276  28.555  -0.953   1.005
  231   2HZ   LYS 276          2HZ       LYS 276  29.174   0.569   0.570
  232   3HZ   LYS 276          3HZ       LYS 276  29.575  -0.119   2.071
  233   1HN   NH2 277          1HN       NH2 277  32.331   1.290  -6.261
  234   2HN   NH2 277          2HN       NH2 277  32.972   0.061  -7.258
  Start of MODEL   42
    1   1H    HIS 250          1H        HIS 250  34.549 -11.024  13.926
    2   2H    HIS 250          2H        HIS 250  33.593  -9.908  14.779
    3   3H    HIS 250          3H        HIS 250  34.712 -10.881  15.608
    4    HA   HIS 250           HA       HIS 250  35.653  -8.720  15.432
    5   1HB   HIS 250          1HB       HIS 250  36.790 -11.066  14.250
    6   2HB   HIS 250          2HB       HIS 250  37.293  -9.670  13.297
    7    HD2  HIS 250           HD2      HIS 250  38.116  -7.442  15.316
    8    HE1  HIS 250           HE1      HIS 250  39.939 -10.383  17.737
    9    HE2  HIS 250           HE2      HIS 250  39.788  -7.891  17.271
   10    H    ILE 251           H        ILE 251  36.610  -7.105  13.859
   11    HA   ILE 251           HA       ILE 251  35.177  -6.919  11.316
   12    HB   ILE 251           HB       ILE 251  34.207  -4.802  11.725
   13   1HG1  ILE 251          1HG1      ILE 251  35.985  -3.658  12.901
   14   2HG1  ILE 251          2HG1      ILE 251  34.558  -3.613  13.929
   15   1HG2  ILE 251          1HG2      ILE 251  33.866  -6.373  14.293
   16   2HG2  ILE 251          2HG2      ILE 251  33.043  -6.744  12.777
   17   3HG2  ILE 251          3HG2      ILE 251  32.724  -5.220  13.604
   18   1HD1  ILE 251          1HD1      ILE 251  36.301  -4.242  15.395
   19   2HD1  ILE 251          2HD1      ILE 251  37.009  -5.348  14.221
   20   3HD1  ILE 251          3HD1      ILE 251  35.490  -5.760  15.017
   21    H    ASN 252           H        ASN 252  38.003  -6.989  12.731
   22    HA   ASN 252           HA       ASN 252  39.294  -4.609  11.780
   23   1HB   ASN 252          1HB       ASN 252  40.949  -5.363  13.085
   24   2HB   ASN 252          2HB       ASN 252  39.971  -6.786  13.442
   25   1HD2  ASN 252          1HD2      ASN 252  40.043  -8.437  11.401
   26   2HD2  ASN 252          2HD2      ASN 252  41.610  -8.742  10.822
   27    H    GLU 253           H        GLU 253  38.123  -7.361  10.254
   28    HA   GLU 253           HA       GLU 253  39.852  -8.213   8.367
   29   1HB   GLU 253          1HB       GLU 253  37.650  -7.769   6.788
   30   2HB   GLU 253          2HB       GLU 253  37.879  -9.169   7.833
   31   1HG   GLU 253          1HG       GLU 253  36.565  -8.232   9.566
   32   2HG   GLU 253          2HG       GLU 253  36.660  -6.612   8.875
   33    H    LEU 254           H        LEU 254  38.173  -5.105   8.314
   34    HA   LEU 254           HA       LEU 254  38.952  -4.218   5.785
   35   1HB   LEU 254          1HB       LEU 254  38.299  -2.778   8.345
   36   2HB   LEU 254          2HB       LEU 254  38.757  -1.894   6.888
   37    HG   LEU 254           HG       LEU 254  36.937  -3.031   5.644
   38   1HD1  LEU 254          1HD1      LEU 254  36.542  -4.336   8.332
   39   2HD1  LEU 254          2HD1      LEU 254  36.636  -5.097   6.743
   40   3HD1  LEU 254          3HD1      LEU 254  35.201  -4.180   7.198
   41   1HD2  LEU 254          1HD2      LEU 254  36.577  -0.848   6.847
   42   2HD2  LEU 254          2HD2      LEU 254  35.930  -1.763   8.208
   43   3HD2  LEU 254          3HD2      LEU 254  35.104  -1.798   6.651
   44    H    LEU 255           H        LEU 255  40.975  -5.097   8.252
   45    HA   LEU 255           HA       LEU 255  42.939  -3.176   8.467
   46   1HB   LEU 255          1HB       LEU 255  44.507  -4.985   8.916
   47   2HB   LEU 255          2HB       LEU 255  42.955  -5.349   9.671
   48    HG   LEU 255           HG       LEU 255  42.677  -6.425   7.135
   49   1HD1  LEU 255          1HD1      LEU 255  45.476  -6.998   8.159
   50   2HD1  LEU 255          2HD1      LEU 255  45.091  -6.056   6.719
   51   3HD1  LEU 255          3HD1      LEU 255  44.703  -7.775   6.777
   52   1HD2  LEU 255          1HD2      LEU 255  41.932  -7.492   9.191
   53   2HD2  LEU 255          2HD2      LEU 255  43.599  -7.703   9.728
   54   3HD2  LEU 255          3HD2      LEU 255  42.999  -8.609   8.338
   55    H    HIS 256           H        HIS 256  42.016  -4.986   5.691
   56    HA   HIS 256           HA       HIS 256  44.462  -4.797   4.231
   57   1HB   HIS 256          1HB       HIS 256  41.612  -5.423   3.559
   58   2HB   HIS 256          2HB       HIS 256  42.749  -5.082   2.254
   59    HD2  HIS 256           HD2      HIS 256  42.382  -7.718   5.197
   60    HE1  HIS 256           HE1      HIS 256  45.045  -9.257   2.305
   61    HE2  HIS 256           HE2      HIS 256  43.808  -9.778   4.461
   62    H    ILE 257           H        ILE 257  41.473  -3.343   3.055
   63    HA   ILE 257           HA       ILE 257  42.518  -1.323   1.572
   64    HB   ILE 257           HB       ILE 257  40.373  -0.011   2.456
   65   1HG1  ILE 257          1HG1      ILE 257  39.696  -2.888   3.099
   66   2HG1  ILE 257          2HG1      ILE 257  40.177  -1.732   4.343
   67   1HG2  ILE 257          1HG2      ILE 257  40.588  -2.439   0.683
   68   2HG2  ILE 257          2HG2      ILE 257  40.427  -0.746   0.217
   69   3HG2  ILE 257          3HG2      ILE 257  39.047  -1.610   0.897
   70   1HD1  ILE 257          1HD1      ILE 257  38.193  -0.642   4.261
   71   2HD1  ILE 257          2HD1      ILE 257  37.600  -2.095   3.454
   72   3HD1  ILE 257          3HD1      ILE 257  38.133  -0.709   2.501
   73    H    LEU 258           H        LEU 258  42.297  -1.460   5.051
   74    HA   LEU 258           HA       LEU 258  42.726   1.268   5.629
   75   1HB   LEU 258          1HB       LEU 258  42.829  -1.287   7.079
   76   2HB   LEU 258          2HB       LEU 258  43.925  -0.062   7.713
   77    HG   LEU 258           HG       LEU 258  41.626  -0.019   8.742
   78   1HD1  LEU 258          1HD1      LEU 258  42.141   2.130   9.150
   79   2HD1  LEU 258          2HD1      LEU 258  41.503   2.585   7.571
   80   3HD1  LEU 258          3HD1      LEU 258  43.203   2.149   7.742
   81   1HD2  LEU 258          1HD2      LEU 258  40.747  -0.379   6.176
   82   2HD2  LEU 258          2HD2      LEU 258  40.507   1.357   6.378
   83   3HD2  LEU 258          3HD2      LEU 258  39.739   0.224   7.491
   84    H    VAL 259           H        VAL 259  45.150  -1.215   6.342
   85    HA   VAL 259           HA       VAL 259  47.344   0.520   6.224
   86    HB   VAL 259           HB       VAL 259  47.394  -2.453   5.670
   87   1HG1  VAL 259          1HG1      VAL 259  49.631  -2.213   6.816
   88   2HG1  VAL 259          2HG1      VAL 259  49.410  -0.464   6.750
   89   3HG1  VAL 259          3HG1      VAL 259  49.527  -1.395   5.256
   90   1HG2  VAL 259          1HG2      VAL 259  46.596  -0.961   8.037
   91   2HG2  VAL 259          2HG2      VAL 259  48.017  -1.953   8.360
   92   3HG2  VAL 259          3HG2      VAL 259  46.541  -2.700   7.747
   93    H    PHE 260           H        PHE 260  46.133  -1.763   3.767
   94    HA   PHE 260           HA       PHE 260  47.949  -1.544   1.771
   95   1HB   PHE 260          1HB       PHE 260  45.624  -2.706   1.802
   96   2HB   PHE 260          2HB       PHE 260  45.042  -1.198   1.095
   97    HD1  PHE 260           HD1      PHE 260  47.780  -3.728   0.687
   98    HD2  PHE 260           HD2      PHE 260  45.160  -0.910  -1.225
   99    HE1  PHE 260           HE1      PHE 260  48.623  -4.449  -1.531
  100    HE2  PHE 260           HE2      PHE 260  46.004  -1.632  -3.442
  101    HZ   PHE 260           HZ       PHE 260  47.735  -3.401  -3.595
  102    H    GLY 261           H        GLY 261  45.983   1.010   3.012
  103   1HA   GLY 261          1HA       GLY 261  47.422   2.989   1.520
  104   2HA   GLY 261          2HA       GLY 261  45.767   2.810   0.942
  105    H    GLU 262           H        GLU 262  47.205   2.698   4.204
  106    HA   GLU 262           HA       GLU 262  45.199   3.747   5.691
  107   1HB   GLU 262          1HB       GLU 262  47.199   4.984   6.941
  108   2HB   GLU 262          2HB       GLU 262  47.022   3.229   6.994
  109   1HG   GLU 262          1HG       GLU 262  48.750   2.870   5.482
  110   2HG   GLU 262          2HG       GLU 262  48.572   4.460   4.743
  111    H    SER 263           H        SER 263  47.423   5.571   3.638
  112    HA   SER 263           HA       SER 263  46.119   8.091   4.350
  113   1HB   SER 263          1HB       SER 263  47.851   9.133   2.976
  114   2HB   SER 263          2HB       SER 263  48.582   8.015   4.124
  115    HG   SER 263           HG       SER 263  48.887   6.558   2.509
  116    H    LEU 264           H        LEU 264  47.059   6.600   1.244
  117    HA   LEU 264           HA       LEU 264  45.505   8.020  -0.478
  118   1HB   LEU 264          1HB       LEU 264  46.587   5.285  -0.441
  119   2HB   LEU 264          2HB       LEU 264  45.180   5.478  -1.484
  120    HG   LEU 264           HG       LEU 264  47.376   5.921  -2.635
  121   1HD1  LEU 264          1HD1      LEU 264  46.113   7.186  -3.998
  122   2HD1  LEU 264          2HD1      LEU 264  46.324   8.566  -2.920
  123   3HD1  LEU 264          3HD1      LEU 264  44.969   7.462  -2.686
  124   1HD2  LEU 264          1HD2      LEU 264  48.859   7.465  -1.864
  125   2HD2  LEU 264          2HD2      LEU 264  48.014   7.259  -0.330
  126   3HD2  LEU 264          3HD2      LEU 264  47.586   8.594  -1.399
  127    H    LEU 265           H        LEU 265  44.416   5.802   1.941
  128    HA   LEU 265           HA       LEU 265  41.835   5.265   0.860
  129   1HB   LEU 265          1HB       LEU 265  42.765   3.805   2.557
  130   2HB   LEU 265          2HB       LEU 265  42.893   5.144   3.695
  131    HG   LEU 265           HG       LEU 265  40.464   5.360   3.785
  132   1HD1  LEU 265          1HD1      LEU 265  39.649   4.849   1.651
  133   2HD1  LEU 265          2HD1      LEU 265  39.186   3.415   2.565
  134   3HD1  LEU 265          3HD1      LEU 265  40.612   3.377   1.528
  135   1HD2  LEU 265          1HD2      LEU 265  39.950   3.301   4.912
  136   2HD2  LEU 265          2HD2      LEU 265  41.669   3.602   5.168
  137   3HD2  LEU 265          3HD2      LEU 265  41.151   2.416   3.970
  138    H    ASN 266           H        ASN 266  43.159   7.772   2.950
  139    HA   ASN 266           HA       ASN 266  40.991   8.974   4.055
  140   1HB   ASN 266          1HB       ASN 266  42.292  10.834   4.299
  141   2HB   ASN 266          2HB       ASN 266  43.554   9.726   3.763
  142   1HD2  ASN 266          1HD2      ASN 266  44.080   9.773   1.377
  143   2HD2  ASN 266          2HD2      ASN 266  43.826  11.212   0.513
  144    H    ASP 267           H        ASP 267  42.016   9.280   0.670
  145    HA   ASP 267           HA       ASP 267  39.643  10.872   0.045
  146   1HB   ASP 267          1HB       ASP 267  41.556  11.683  -1.066
  147   2HB   ASP 267          2HB       ASP 267  42.097  10.062  -1.500
  148    H    ALA 268           H        ALA 268  40.762   7.617  -0.094
  149    HA   ALA 268           HA       ALA 268  38.792   6.810  -2.089
  150   1HB   ALA 268          1HB       ALA 268  40.101   5.004  -2.381
  151   2HB   ALA 268          2HB       ALA 268  40.144   4.663  -0.651
  152   3HB   ALA 268          3HB       ALA 268  41.274   5.822  -1.350
  153    H    VAL 269           H        VAL 269  38.581   7.630   1.040
  154    HA   VAL 269           HA       VAL 269  37.439   5.690   2.551
  155    HB   VAL 269           HB       VAL 269  36.645   8.571   2.184
  156   1HG1  VAL 269          1HG1      VAL 269  34.590   7.666   2.901
  157   2HG1  VAL 269          2HG1      VAL 269  35.377   8.129   4.410
  158   3HG1  VAL 269          3HG1      VAL 269  35.374   6.441   3.898
  159   1HG2  VAL 269          1HG2      VAL 269  37.643   8.735   4.450
  160   2HG2  VAL 269          2HG2      VAL 269  38.793   8.080   3.283
  161   3HG2  VAL 269          3HG2      VAL 269  37.976   7.003   4.417
  162    H    THR 270           H        THR 270  36.211   6.937  -0.425
  163    HA   THR 270           HA       THR 270  33.485   6.378  -0.226
  164    HB   THR 270           HB       THR 270  35.075   5.857  -2.730
  165    HG1  THR 270           HG1      THR 270  34.146   8.406  -2.203
  166   1HG2  THR 270          1HG2      THR 270  32.452   7.303  -2.429
  167   2HG2  THR 270          2HG2      THR 270  32.509   5.542  -2.460
  168   3HG2  THR 270          3HG2      THR 270  33.096   6.468  -3.842
  169    H    VAL 271           H        VAL 271  36.198   4.241  -0.420
  170    HA   VAL 271           HA       VAL 271  34.789   1.942  -1.386
  171    HB   VAL 271           HB       VAL 271  37.389   2.167   0.148
  172   1HG1  VAL 271          1HG1      VAL 271  37.496  -0.133  -1.341
  173   2HG1  VAL 271          2HG1      VAL 271  35.803  -0.114  -0.847
  174   3HG1  VAL 271          3HG1      VAL 271  37.077  -0.076   0.372
  175   1HG2  VAL 271          1HG2      VAL 271  36.712   1.993  -2.802
  176   2HG2  VAL 271          2HG2      VAL 271  38.337   1.752  -2.162
  177   3HG2  VAL 271          3HG2      VAL 271  37.539   3.313  -1.975
  178    H    VAL 272           H        VAL 272  35.396   3.349   1.765
  179    HA   VAL 272           HA       VAL 272  34.313   1.017   3.149
  180    HB   VAL 272           HB       VAL 272  34.974   3.610   4.500
  181   1HG1  VAL 272          1HG1      VAL 272  35.197   2.285   6.373
  182   2HG1  VAL 272          2HG1      VAL 272  35.782   0.899   5.452
  183   3HG1  VAL 272          3HG1      VAL 272  34.059   1.284   5.470
  184   1HG2  VAL 272          1HG2      VAL 272  36.834   1.760   3.071
  185   2HG2  VAL 272          2HG2      VAL 272  37.338   2.348   4.655
  186   3HG2  VAL 272          3HG2      VAL 272  36.979   3.493   3.362
  187    H    LEU 273           H        LEU 273  32.971   3.470   1.481
  188    HA   LEU 273           HA       LEU 273  30.917   4.257   3.369
  189   1HB   LEU 273          1HB       LEU 273  31.780   5.049   0.676
  190   2HB   LEU 273          2HB       LEU 273  30.032   5.074   0.901
  191    HG   LEU 273           HG       LEU 273  31.910   6.326   2.909
  192   1HD1  LEU 273          1HD1      LEU 273  31.158   7.262   0.224
  193   2HD1  LEU 273          2HD1      LEU 273  32.441   7.828   1.294
  194   3HD1  LEU 273          3HD1      LEU 273  30.793   8.418   1.504
  195   1HD2  LEU 273          1HD2      LEU 273  29.246   7.464   2.421
  196   2HD2  LEU 273          2HD2      LEU 273  30.007   7.005   3.943
  197   3HD2  LEU 273          3HD2      LEU 273  29.195   5.786   2.962
  198    H    TYR 274           H        TYR 274  30.460   3.057   0.056
  199    HA   TYR 274           HA       TYR 274  27.932   1.944   0.566
  200   1HB   TYR 274          1HB       TYR 274  28.246   0.773  -1.604
  201   2HB   TYR 274          2HB       TYR 274  28.635   2.491  -1.692
  202    HD1  TYR 274           HD1      TYR 274  30.862   3.251  -2.143
  203    HD2  TYR 274           HD2      TYR 274  30.087  -0.918  -1.453
  204    HE1  TYR 274           HE1      TYR 274  33.151   2.696  -2.921
  205    HE2  TYR 274           HE2      TYR 274  32.376  -1.472  -2.229
  206    HH   TYR 274           HH       TYR 274  34.497  -0.483  -2.548
  207    H    LYS 275           H        LYS 275  31.166   0.577   0.780
  208    HA   LYS 275           HA       LYS 275  30.777  -2.113   0.813
  209   1HB   LYS 275          1HB       LYS 275  32.586  -0.277   2.243
  210   2HB   LYS 275          2HB       LYS 275  32.387  -1.855   3.005
  211   1HG   LYS 275          1HG       LYS 275  32.930  -1.613   0.046
  212   2HG   LYS 275          2HG       LYS 275  34.248  -1.613   1.218
  213   1HD   LYS 275          1HD       LYS 275  34.006  -3.826   1.680
  214   2HD   LYS 275          2HD       LYS 275  32.245  -3.744   1.627
  215   1HE   LYS 275          1HE       LYS 275  32.295  -3.720  -0.824
  216   2HE   LYS 275          2HE       LYS 275  34.058  -3.731  -0.804
  217   1HZ   LYS 275          1HZ       LYS 275  33.311  -5.830   0.794
  218   2HZ   LYS 275          2HZ       LYS 275  33.918  -5.930  -0.790
  219   3HZ   LYS 275          3HZ       LYS 275  32.241  -5.903  -0.521
  220    H    LYS 276           H        LYS 276  29.993   0.138   3.439
  221    HA   LYS 276           HA       LYS 276  29.204  -1.758   5.358
  222   1HB   LYS 276          1HB       LYS 276  27.966   0.976   5.006
  223   2HB   LYS 276          2HB       LYS 276  28.145   0.052   6.498
  224   1HG   LYS 276          1HG       LYS 276  30.719   0.139   5.845
  225   2HG   LYS 276          2HG       LYS 276  30.209   1.574   4.953
  226   1HD   LYS 276          1HD       LYS 276  29.096   2.383   7.078
  227   2HD   LYS 276          2HD       LYS 276  29.884   1.047   7.918
  228   1HE   LYS 276          1HE       LYS 276  32.036   2.035   6.674
  229   2HE   LYS 276          2HE       LYS 276  31.081   3.516   6.742
  230   1HZ   LYS 276          1HZ       LYS 276  32.605   2.498   8.757
  231   2HZ   LYS 276          2HZ       LYS 276  31.025   2.061   9.204
  232   3HZ   LYS 276          3HZ       LYS 276  31.410   3.691   8.919
  233   1HN   NH2 277          1HN       NH2 277  27.533  -0.632   2.480
  234   2HN   NH2 277          2HN       NH2 277  26.083  -1.486   2.769
  Start of MODEL   43
    1   1H    HIS 250          1H        HIS 250  41.825  -3.403 -15.821
    2   2H    HIS 250          2H        HIS 250  42.558  -3.390 -17.354
    3   3H    HIS 250          3H        HIS 250  41.874  -1.969 -16.724
    4    HA   HIS 250           HA       HIS 250  44.453  -2.422 -16.628
    5   1HB   HIS 250          1HB       HIS 250  42.632  -1.102 -14.616
    6   2HB   HIS 250          2HB       HIS 250  44.387  -1.030 -14.448
    7    HD2  HIS 250           HD2      HIS 250  42.912  -0.821 -18.066
    8    HE1  HIS 250           HE1      HIS 250  44.273   3.032 -17.005
    9    HE2  HIS 250           HE2      HIS 250  43.380   1.606 -18.907
   10    H    ILE 251           H        ILE 251  45.915  -2.789 -14.668
   11    HA   ILE 251           HA       ILE 251  45.161  -5.360 -13.443
   12    HB   ILE 251           HB       ILE 251  47.920  -4.143 -13.477
   13   1HG1  ILE 251          1HG1      ILE 251  47.899  -6.042 -15.473
   14   2HG1  ILE 251          2HG1      ILE 251  46.332  -5.263 -15.692
   15   1HG2  ILE 251          1HG2      ILE 251  48.594  -6.170 -12.688
   16   2HG2  ILE 251          2HG2      ILE 251  47.458  -7.052 -13.710
   17   3HG2  ILE 251          3HG2      ILE 251  46.909  -6.339 -12.194
   18   1HD1  ILE 251          1HD1      ILE 251  47.529  -3.037 -15.611
   19   2HD1  ILE 251          2HD1      ILE 251  47.929  -4.031 -17.012
   20   3HD1  ILE 251          3HD1      ILE 251  49.050  -3.929 -15.654
   21    H    ASN 252           H        ASN 252  47.653  -4.553 -11.679
   22    HA   ASN 252           HA       ASN 252  46.040  -3.691  -9.430
   23   1HB   ASN 252          1HB       ASN 252  48.974  -4.364  -9.705
   24   2HB   ASN 252          2HB       ASN 252  48.207  -3.906  -8.185
   25   1HD2  ASN 252          1HD2      ASN 252  46.337  -5.761 -10.504
   26   2HD2  ASN 252          2HD2      ASN 252  46.383  -7.228  -9.650
   27    H    GLU 253           H        GLU 253  48.191  -2.288 -11.737
   28    HA   GLU 253           HA       GLU 253  49.353  -0.133 -10.611
   29   1HB   GLU 253          1HB       GLU 253  48.362   1.096 -12.799
   30   2HB   GLU 253          2HB       GLU 253  49.693  -0.059 -12.861
   31   1HG   GLU 253          1HG       GLU 253  48.285  -1.825 -13.553
   32   2HG   GLU 253          2HG       GLU 253  46.825  -0.973 -13.050
   33    H    LEU 254           H        LEU 254  45.928  -0.194 -11.621
   34    HA   LEU 254           HA       LEU 254  45.386   2.394 -10.497
   35   1HB   LEU 254          1HB       LEU 254  43.882   0.305 -11.939
   36   2HB   LEU 254          2HB       LEU 254  42.930   1.260 -10.802
   37    HG   LEU 254           HG       LEU 254  43.687   3.333 -11.850
   38   1HD1  LEU 254          1HD1      LEU 254  45.555   1.446 -13.188
   39   2HD1  LEU 254          2HD1      LEU 254  45.810   3.119 -12.690
   40   3HD1  LEU 254          3HD1      LEU 254  44.935   2.766 -14.180
   41   1HD2  LEU 254          1HD2      LEU 254  41.714   2.452 -12.864
   42   2HD2  LEU 254          2HD2      LEU 254  42.620   1.198 -13.710
   43   3HD2  LEU 254          3HD2      LEU 254  42.772   2.883 -14.208
   44    H    LEU 255           H        LEU 255  45.035  -0.940  -9.430
   45    HA   LEU 255           HA       LEU 255  43.467  -0.315  -7.111
   46   1HB   LEU 255          1HB       LEU 255  45.162  -2.779  -7.471
   47   2HB   LEU 255          2HB       LEU 255  43.671  -2.602  -6.548
   48    HG   LEU 255           HG       LEU 255  43.942  -2.443  -9.563
   49   1HD1  LEU 255          1HD1      LEU 255  42.337  -4.430  -9.363
   50   2HD1  LEU 255          2HD1      LEU 255  42.773  -4.477  -7.655
   51   3HD1  LEU 255          3HD1      LEU 255  44.009  -4.731  -8.887
   52   1HD2  LEU 255          1HD2      LEU 255  41.713  -1.806  -7.652
   53   2HD2  LEU 255          2HD2      LEU 255  41.324  -2.477  -9.236
   54   3HD2  LEU 255          3HD2      LEU 255  42.201  -0.952  -9.116
   55    H    HIS 256           H        HIS 256  46.392   0.752  -7.758
   56    HA   HIS 256           HA       HIS 256  48.282   0.067  -5.968
   57   1HB   HIS 256          1HB       HIS 256  47.394   2.694  -7.038
   58   2HB   HIS 256          2HB       HIS 256  48.504   2.722  -5.668
   59    HD2  HIS 256           HD2      HIS 256  48.990  -0.216  -8.169
   60    HE1  HIS 256           HE1      HIS 256  52.058   2.588  -8.911
   61    HE2  HIS 256           HE2      HIS 256  51.222   0.251  -9.445
   62    H    ILE 257           H        ILE 257  45.174   1.379  -5.192
   63    HA   ILE 257           HA       ILE 257  45.506   2.503  -2.713
   64    HB   ILE 257           HB       ILE 257  43.291   0.534  -3.265
   65   1HG1  ILE 257          1HG1      ILE 257  43.427   1.828  -5.284
   66   2HG1  ILE 257          2HG1      ILE 257  42.134   2.543  -4.324
   67   1HG2  ILE 257          1HG2      ILE 257  42.051   1.821  -1.754
   68   2HG2  ILE 257          2HG2      ILE 257  43.070   3.242  -1.975
   69   3HG2  ILE 257          3HG2      ILE 257  43.664   1.869  -1.042
   70   1HD1  ILE 257          1HD1      ILE 257  44.939   3.573  -4.745
   71   2HD1  ILE 257          2HD1      ILE 257  43.950   4.123  -3.393
   72   3HD1  ILE 257          3HD1      ILE 257  43.411   4.399  -5.049
   73    H    LEU 258           H        LEU 258  45.730  -0.882  -3.600
   74    HA   LEU 258           HA       LEU 258  45.645  -1.939  -0.956
   75   1HB   LEU 258          1HB       LEU 258  46.636  -3.969  -1.973
   76   2HB   LEU 258          2HB       LEU 258  45.253  -3.377  -2.891
   77    HG   LEU 258           HG       LEU 258  47.329  -2.009  -4.066
   78   1HD1  LEU 258          1HD1      LEU 258  48.845  -3.531  -2.616
   79   2HD1  LEU 258          2HD1      LEU 258  49.205  -3.427  -4.337
   80   3HD1  LEU 258          3HD1      LEU 258  48.346  -4.828  -3.700
   81   1HD2  LEU 258          1HD2      LEU 258  46.279  -4.757  -4.818
   82   2HD2  LEU 258          2HD2      LEU 258  47.050  -3.613  -5.917
   83   3HD2  LEU 258          3HD2      LEU 258  45.487  -3.229  -5.198
   84    H    VAL 259           H        VAL 259  48.070  -0.353  -2.828
   85    HA   VAL 259           HA       VAL 259  50.412  -1.333  -1.608
   86    HB   VAL 259           HB       VAL 259  49.925   1.473  -2.641
   87   1HG1  VAL 259          1HG1      VAL 259  52.120   1.812  -2.277
   88   2HG1  VAL 259          2HG1      VAL 259  52.534   0.330  -3.135
   89   3HG1  VAL 259          3HG1      VAL 259  52.169   0.277  -1.411
   90   1HG2  VAL 259          1HG2      VAL 259  50.202   0.733  -4.799
   91   2HG2  VAL 259          2HG2      VAL 259  49.499  -0.742  -4.136
   92   3HG2  VAL 259          3HG2      VAL 259  51.246  -0.603  -4.318
   93    H    PHE 260           H        PHE 260  48.997   1.880  -1.036
   94    HA   PHE 260           HA       PHE 260  50.150   1.928   1.638
   95   1HB   PHE 260          1HB       PHE 260  48.717   4.243   1.404
   96   2HB   PHE 260          2HB       PHE 260  50.393   4.049   0.890
   97    HD1  PHE 260           HD1      PHE 260  50.962   3.663  -1.465
   98    HD2  PHE 260           HD2      PHE 260  46.905   4.322  -0.220
   99    HE1  PHE 260           HE1      PHE 260  50.306   4.063  -3.821
  100    HE2  PHE 260           HE2      PHE 260  46.247   4.725  -2.576
  101    HZ   PHE 260           HZ       PHE 260  47.947   4.598  -4.377
  102    H    GLY 261           H        GLY 261  46.907   2.593   0.288
  103   1HA   GLY 261          1HA       GLY 261  44.807   2.062   1.080
  104   2HA   GLY 261          2HA       GLY 261  45.574   0.930   2.188
  105    H    GLU 262           H        GLU 262  47.294   2.978   3.394
  106    HA   GLU 262           HA       GLU 262  45.322   4.072   5.250
  107   1HB   GLU 262          1HB       GLU 262  47.510   4.777   6.459
  108   2HB   GLU 262          2HB       GLU 262  47.086   3.064   6.411
  109   1HG   GLU 262          1HG       GLU 262  48.802   2.539   4.998
  110   2HG   GLU 262          2HG       GLU 262  48.673   4.057   4.113
  111    H    SER 263           H        SER 263  47.537   5.130   2.774
  112    HA   SER 263           HA       SER 263  47.581   7.892   3.524
  113   1HB   SER 263          1HB       SER 263  48.197   6.555   0.882
  114   2HB   SER 263          2HB       SER 263  48.536   8.240   1.266
  115    HG   SER 263           HG       SER 263  50.181   7.629   2.436
  116    H    LEU 264           H        LEU 264  46.405   6.727   0.399
  117    HA   LEU 264           HA       LEU 264  44.549   8.847   0.107
  118   1HB   LEU 264          1HB       LEU 264  44.413   6.211  -1.354
  119   2HB   LEU 264          2HB       LEU 264  43.905   7.801  -1.923
  120    HG   LEU 264           HG       LEU 264  46.742   6.873  -1.405
  121   1HD1  LEU 264          1HD1      LEU 264  45.924   8.114  -3.964
  122   2HD1  LEU 264          2HD1      LEU 264  45.201   6.540  -3.632
  123   3HD1  LEU 264          3HD1      LEU 264  46.955   6.714  -3.671
  124   1HD2  LEU 264          1HD2      LEU 264  46.747   9.122  -0.679
  125   2HD2  LEU 264          2HD2      LEU 264  45.568   9.609  -1.897
  126   3HD2  LEU 264          3HD2      LEU 264  47.225   9.235  -2.372
  127    H    LEU 265           H        LEU 265  44.381   6.524   2.322
  128    HA   LEU 265           HA       LEU 265  42.093   5.108   2.287
  129   1HB   LEU 265          1HB       LEU 265  43.611   5.318   4.251
  130   2HB   LEU 265          2HB       LEU 265  42.881   6.883   4.607
  131    HG   LEU 265           HG       LEU 265  40.771   4.991   4.216
  132   1HD1  LEU 265          1HD1      LEU 265  42.936   4.125   6.158
  133   2HD1  LEU 265          2HD1      LEU 265  42.373   3.230   4.747
  134   3HD1  LEU 265          3HD1      LEU 265  41.301   3.466   6.127
  135   1HD2  LEU 265          1HD2      LEU 265  40.198   5.668   6.499
  136   2HD2  LEU 265          2HD2      LEU 265  40.742   7.076   5.588
  137   3HD2  LEU 265          3HD2      LEU 265  41.825   6.300   6.744
  138    H    ASN 266           H        ASN 266  42.218   8.572   3.140
  139    HA   ASN 266           HA       ASN 266  39.473   8.969   3.501
  140   1HB   ASN 266          1HB       ASN 266  40.915  11.190   2.207
  141   2HB   ASN 266          2HB       ASN 266  40.022  11.155   3.727
  142   1HD2  ASN 266          1HD2      ASN 266  43.198  10.639   2.264
  143   2HD2  ASN 266          2HD2      ASN 266  44.044  10.500   3.728
  144    H    ASP 267           H        ASP 267  41.450   9.117   0.566
  145    HA   ASP 267           HA       ASP 267  39.110   9.723  -1.073
  146   1HB   ASP 267          1HB       ASP 267  42.063   9.503  -1.596
  147   2HB   ASP 267          2HB       ASP 267  40.911   9.503  -2.930
  148    H    ALA 268           H        ALA 268  40.319   7.012   0.311
  149    HA   ALA 268           HA       ALA 268  39.953   5.230  -1.975
  150   1HB   ALA 268          1HB       ALA 268  40.899   3.547  -0.655
  151   2HB   ALA 268          2HB       ALA 268  40.408   4.320   0.852
  152   3HB   ALA 268          3HB       ALA 268  41.737   4.993  -0.091
  153    H    VAL 269           H        VAL 269  38.570   5.641   1.289
  154    HA   VAL 269           HA       VAL 269  36.539   3.773   1.166
  155    HB   VAL 269           HB       VAL 269  36.994   4.982   3.210
  156   1HG1  VAL 269          1HG1      VAL 269  36.360   7.380   3.411
  157   2HG1  VAL 269          2HG1      VAL 269  35.989   7.407   1.686
  158   3HG1  VAL 269          3HG1      VAL 269  37.645   7.130   2.228
  159   1HG2  VAL 269          1HG2      VAL 269  34.591   4.202   2.542
  160   2HG2  VAL 269          2HG2      VAL 269  34.251   5.926   2.393
  161   3HG2  VAL 269          3HG2      VAL 269  34.774   5.261   3.940
  162    H    THR 270           H        THR 270  36.948   6.499  -0.793
  163    HA   THR 270           HA       THR 270  34.098   6.776  -1.407
  164    HB   THR 270           HB       THR 270  34.753   8.679  -2.746
  165    HG1  THR 270           HG1      THR 270  36.699   7.656  -3.529
  166   1HG2  THR 270          1HG2      THR 270  35.657  10.080  -1.033
  167   2HG2  THR 270          2HG2      THR 270  36.480   8.722  -0.265
  168   3HG2  THR 270          3HG2      THR 270  34.721   8.837  -0.203
  169    H    VAL 271           H        VAL 271  36.828   5.053  -2.478
  170    HA   VAL 271           HA       VAL 271  35.683   4.650  -5.165
  171    HB   VAL 271           HB       VAL 271  38.411   3.947  -4.056
  172   1HG1  VAL 271          1HG1      VAL 271  37.840   2.338  -5.747
  173   2HG1  VAL 271          2HG1      VAL 271  38.891   3.528  -6.515
  174   3HG1  VAL 271          3HG1      VAL 271  37.149   3.585  -6.786
  175   1HG2  VAL 271          1HG2      VAL 271  37.660   6.416  -4.586
  176   2HG2  VAL 271          2HG2      VAL 271  37.837   5.905  -6.264
  177   3HG2  VAL 271          3HG2      VAL 271  39.220   5.836  -5.171
  178    H    VAL 272           H        VAL 272  37.598   2.521  -3.058
  179    HA   VAL 272           HA       VAL 272  36.603   0.109  -3.876
  180    HB   VAL 272           HB       VAL 272  38.461   0.329  -2.287
  181   1HG1  VAL 272          1HG1      VAL 272  38.194   1.074  -0.082
  182   2HG1  VAL 272          2HG1      VAL 272  36.458   0.768  -0.086
  183   3HG1  VAL 272          3HG1      VAL 272  37.111   2.147  -0.969
  184   1HG2  VAL 272          1HG2      VAL 272  38.070  -1.743  -1.417
  185   2HG2  VAL 272          2HG2      VAL 272  36.580  -1.666  -2.357
  186   3HG2  VAL 272          3HG2      VAL 272  36.566  -1.238  -0.647
  187    H    LEU 273           H        LEU 273  34.891   2.552  -2.227
  188    HA   LEU 273           HA       LEU 273  32.857   0.715  -1.198
  189   1HB   LEU 273          1HB       LEU 273  33.674   2.737   0.103
  190   2HB   LEU 273          2HB       LEU 273  32.840   3.734  -1.088
  191    HG   LEU 273           HG       LEU 273  30.813   2.113  -0.534
  192   1HD1  LEU 273          1HD1      LEU 273  32.565   0.937   1.111
  193   2HD1  LEU 273          2HD1      LEU 273  30.855   1.058   1.521
  194   3HD1  LEU 273          3HD1      LEU 273  32.007   2.204   2.203
  195   1HD2  LEU 273          1HD2      LEU 273  30.418   3.743   1.535
  196   2HD2  LEU 273          2HD2      LEU 273  30.392   4.353  -0.119
  197   3HD2  LEU 273          3HD2      LEU 273  31.839   4.550   0.869
  198    H    TYR 274           H        TYR 274  32.765   3.729  -3.118
  199    HA   TYR 274           HA       TYR 274  30.220   3.072  -4.267
  200   1HB   TYR 274          1HB       TYR 274  32.263   5.222  -4.820
  201   2HB   TYR 274          2HB       TYR 274  30.787   5.060  -5.772
  202    HD1  TYR 274           HD1      TYR 274  28.677   5.773  -4.920
  203    HD2  TYR 274           HD2      TYR 274  32.095   5.576  -2.326
  204    HE1  TYR 274           HE1      TYR 274  27.410   6.974  -3.160
  205    HE2  TYR 274           HE2      TYR 274  30.827   6.778  -0.565
  206    HH   TYR 274           HH       TYR 274  27.442   7.777  -1.097
  207    H    LYS 275           H        LYS 275  33.388   3.607  -5.830
  208    HA   LYS 275           HA       LYS 275  32.655   2.399  -8.278
  209   1HB   LYS 275          1HB       LYS 275  34.865   3.795  -7.284
  210   2HB   LYS 275          2HB       LYS 275  35.496   2.207  -7.724
  211   1HG   LYS 275          1HG       LYS 275  35.634   3.584  -9.694
  212   2HG   LYS 275          2HG       LYS 275  34.298   2.459  -9.946
  213   1HD   LYS 275          1HD       LYS 275  33.155   4.663  -8.632
  214   2HD   LYS 275          2HD       LYS 275  34.248   5.358  -9.829
  215   1HE   LYS 275          1HE       LYS 275  33.219   3.827 -11.545
  216   2HE   LYS 275          2HE       LYS 275  32.028   3.359 -10.332
  217   1HZ   LYS 275          1HZ       LYS 275  32.041   6.086 -10.255
  218   2HZ   LYS 275          2HZ       LYS 275  30.872   5.112 -11.011
  219   3HZ   LYS 275          3HZ       LYS 275  32.172   5.736 -11.909
  220    H    LYS 276           H        LYS 276  34.069   1.117  -5.322
  221    HA   LYS 276           HA       LYS 276  34.709  -0.990  -4.720
  222   1HB   LYS 276          1HB       LYS 276  32.125  -1.005  -5.007
  223   2HB   LYS 276          2HB       LYS 276  32.447  -1.948  -6.461
  224   1HG   LYS 276          1HG       LYS 276  32.577  -3.775  -5.155
  225   2HG   LYS 276          2HG       LYS 276  34.049  -3.107  -4.458
  226   1HD   LYS 276          1HD       LYS 276  32.547  -3.555  -2.631
  227   2HD   LYS 276          2HD       LYS 276  32.582  -1.805  -2.854
  228   1HE   LYS 276          1HE       LYS 276  30.565  -2.712  -4.581
  229   2HE   LYS 276          2HE       LYS 276  30.339  -3.631  -3.093
  230   1HZ   LYS 276          1HZ       LYS 276  29.471  -1.837  -2.168
  231   2HZ   LYS 276          2HZ       LYS 276  29.717  -0.944  -3.592
  232   3HZ   LYS 276          3HZ       LYS 276  30.924  -0.992  -2.398
  233   1HN   NH2 277          1HN       NH2 277  35.489   0.040  -7.644
  234   2HN   NH2 277          2HN       NH2 277  36.106  -1.382  -8.355
  Start of MODEL   44
    1   1H    HIS 250          1H        HIS 250  53.382  21.553  -4.143
    2   2H    HIS 250          2H        HIS 250  54.892  22.315  -3.976
    3   3H    HIS 250          3H        HIS 250  53.492  23.045  -3.346
    4    HA   HIS 250           HA       HIS 250  55.097  20.852  -2.282
    5   1HB   HIS 250          1HB       HIS 250  54.745  23.370  -1.489
    6   2HB   HIS 250          2HB       HIS 250  53.329  22.674  -0.700
    7    HD2  HIS 250           HD2      HIS 250  55.035  19.733  -0.058
    8    HE1  HIS 250           HE1      HIS 250  57.253  22.295   2.460
    9    HE2  HIS 250           HE2      HIS 250  56.702  19.870   1.946
   10    H    ILE 251           H        ILE 251  52.608  20.384  -3.915
   11    HA   ILE 251           HA       ILE 251  50.493  19.618  -2.181
   12    HB   ILE 251           HB       ILE 251  49.625  18.407  -4.126
   13   1HG1  ILE 251          1HG1      ILE 251  52.481  18.666  -4.953
   14   2HG1  ILE 251          2HG1      ILE 251  51.345  17.353  -5.242
   15   1HG2  ILE 251          1HG2      ILE 251  49.578  20.962  -3.888
   16   2HG2  ILE 251          2HG2      ILE 251  49.315  20.324  -5.510
   17   3HG2  ILE 251          3HG2      ILE 251  50.888  20.992  -5.068
   18   1HD1  ILE 251          1HD1      ILE 251  51.591  19.967  -6.730
   19   2HD1  ILE 251          2HD1      ILE 251  50.142  18.964  -6.844
   20   3HD1  ILE 251          3HD1      ILE 251  51.699  18.329  -7.373
   21    H    ASN 252           H        ASN 252  52.777  18.668  -0.984
   22    HA   ASN 252           HA       ASN 252  53.505  16.021  -1.567
   23   1HB   ASN 252          1HB       ASN 252  53.802  17.880   0.679
   24   2HB   ASN 252          2HB       ASN 252  53.733  16.188   1.170
   25   1HD2  ASN 252          1HD2      ASN 252  55.403  18.315  -1.216
   26   2HD2  ASN 252          2HD2      ASN 252  56.847  17.422  -1.214
   27    H    GLU 253           H        GLU 253  50.485  17.098  -0.813
   28    HA   GLU 253           HA       GLU 253  49.663  15.016   1.002
   29   1HB   GLU 253          1HB       GLU 253  47.328  15.901   0.021
   30   2HB   GLU 253          2HB       GLU 253  48.225  16.774   1.263
   31   1HG   GLU 253          1HG       GLU 253  48.835  17.298  -1.630
   32   2HG   GLU 253          2HG       GLU 253  47.412  18.040  -0.899
   33    H    LEU 254           H        LEU 254  48.060  15.696  -2.074
   34    HA   LEU 254           HA       LEU 254  47.084  13.212  -2.614
   35   1HB   LEU 254          1HB       LEU 254  47.811  15.552  -4.235
   36   2HB   LEU 254          2HB       LEU 254  47.810  14.039  -5.137
   37    HG   LEU 254           HG       LEU 254  45.584  15.219  -5.118
   38   1HD1  LEU 254          1HD1      LEU 254  44.718  12.878  -3.721
   39   2HD1  LEU 254          2HD1      LEU 254  46.170  12.464  -4.633
   40   3HD1  LEU 254          3HD1      LEU 254  44.773  13.153  -5.462
   41   1HD2  LEU 254          1HD2      LEU 254  45.014  14.293  -2.373
   42   2HD2  LEU 254          2HD2      LEU 254  44.528  15.783  -3.183
   43   3HD2  LEU 254          3HD2      LEU 254  46.135  15.652  -2.467
   44    H    LEU 255           H        LEU 255  50.381  14.120  -2.581
   45    HA   LEU 255           HA       LEU 255  51.321  12.002  -4.307
   46   1HB   LEU 255          1HB       LEU 255  52.796  13.825  -2.394
   47   2HB   LEU 255          2HB       LEU 255  53.564  12.728  -3.540
   48    HG   LEU 255           HG       LEU 255  51.642  14.947  -4.306
   49   1HD1  LEU 255          1HD1      LEU 255  54.510  14.938  -3.740
   50   2HD1  LEU 255          2HD1      LEU 255  53.416  16.303  -3.969
   51   3HD1  LEU 255          3HD1      LEU 255  54.147  15.515  -5.366
   52   1HD2  LEU 255          1HD2      LEU 255  52.962  14.398  -6.563
   53   2HD2  LEU 255          2HD2      LEU 255  51.519  13.495  -6.104
   54   3HD2  LEU 255          3HD2      LEU 255  53.117  12.814  -5.804
   55    H    HIS 256           H        HIS 256  49.810  11.729  -1.522
   56    HA   HIS 256           HA       HIS 256  51.192  10.521   0.441
   57   1HB   HIS 256          1HB       HIS 256  48.790   9.115  -0.714
   58   2HB   HIS 256          2HB       HIS 256  49.283   9.232   0.974
   59    HD2  HIS 256           HD2      HIS 256  47.067  11.132  -1.529
   60    HE1  HIS 256           HE1      HIS 256  47.523  13.656   1.825
   61    HE2  HIS 256           HE2      HIS 256  46.237  13.301  -0.337
   62    H    ILE 257           H        ILE 257  50.599   9.137  -2.743
   63    HA   ILE 257           HA       ILE 257  51.457   6.516  -2.261
   64    HB   ILE 257           HB       ILE 257  52.030   6.508  -4.733
   65   1HG1  ILE 257          1HG1      ILE 257  51.179   8.529  -5.987
   66   2HG1  ILE 257          2HG1      ILE 257  51.080   9.382  -4.452
   67   1HG2  ILE 257          1HG2      ILE 257  49.488   7.325  -5.208
   68   2HG2  ILE 257          2HG2      ILE 257  49.431   7.127  -3.457
   69   3HG2  ILE 257          3HG2      ILE 257  49.890   5.768  -4.483
   70   1HD1  ILE 257          1HD1      ILE 257  53.676   8.065  -5.162
   71   2HD1  ILE 257          2HD1      ILE 257  53.380   9.533  -4.230
   72   3HD1  ILE 257          3HD1      ILE 257  53.244   9.562  -5.986
   73    H    LEU 258           H        LEU 258  53.208   9.252  -1.765
   74    HA   LEU 258           HA       LEU 258  55.700   8.966  -2.857
   75   1HB   LEU 258          1HB       LEU 258  54.694   9.981  -0.252
   76   2HB   LEU 258          2HB       LEU 258  56.427   9.671  -0.369
   77    HG   LEU 258           HG       LEU 258  55.033  11.190  -2.557
   78   1HD1  LEU 258          1HD1      LEU 258  55.720  12.142   0.205
   79   2HD1  LEU 258          2HD1      LEU 258  54.347  12.573  -0.816
   80   3HD1  LEU 258          3HD1      LEU 258  55.942  13.240  -1.158
   81   1HD2  LEU 258          1HD2      LEU 258  57.744  11.834  -1.503
   82   2HD2  LEU 258          2HD2      LEU 258  57.170  11.784  -3.169
   83   3HD2  LEU 258          3HD2      LEU 258  57.565  10.285  -2.327
   84    H    VAL 259           H        VAL 259  55.336   7.913   0.498
   85    HA   VAL 259           HA       VAL 259  57.187   5.709  -0.042
   86    HB   VAL 259           HB       VAL 259  56.754   5.551   2.619
   87   1HG1  VAL 259          1HG1      VAL 259  58.768   7.013   2.838
   88   2HG1  VAL 259          2HG1      VAL 259  58.569   7.485   1.150
   89   3HG1  VAL 259          3HG1      VAL 259  58.933   5.809   1.560
   90   1HG2  VAL 259          1HG2      VAL 259  56.505   8.506   2.000
   91   2HG2  VAL 259          2HG2      VAL 259  56.406   7.722   3.575
   92   3HG2  VAL 259          3HG2      VAL 259  55.113   7.496   2.398
   93    H    PHE 260           H        PHE 260  54.562   5.780   2.332
   94    HA   PHE 260           HA       PHE 260  53.786   3.088   1.505
   95   1HB   PHE 260          1HB       PHE 260  52.546   4.674   3.746
   96   2HB   PHE 260          2HB       PHE 260  52.664   2.923   3.569
   97    HD1  PHE 260           HD1      PHE 260  54.301   5.935   4.750
   98    HD2  PHE 260           HD2      PHE 260  54.926   1.811   3.727
   99    HE1  PHE 260           HE1      PHE 260  56.443   5.951   5.998
  100    HE2  PHE 260           HE2      PHE 260  57.070   1.826   4.975
  101    HZ   PHE 260           HZ       PHE 260  57.828   3.897   6.110
  102    H    GLY 261           H        GLY 261  51.909   5.977   2.445
  103   1HA   GLY 261          1HA       GLY 261  50.228   7.054   1.203
  104   2HA   GLY 261          2HA       GLY 261  50.288   5.746   0.024
  105    H    GLU 262           H        GLU 262  49.507   6.222   3.476
  106    HA   GLU 262           HA       GLU 262  47.549   4.068   3.365
  107   1HB   GLU 262          1HB       GLU 262  47.894   5.835   5.747
  108   2HB   GLU 262          2HB       GLU 262  47.569   4.103   5.674
  109   1HG   GLU 262          1HG       GLU 262  49.958   4.051   4.515
  110   2HG   GLU 262          2HG       GLU 262  50.170   5.557   5.407
  111    H    SER 263           H        SER 263  47.646   7.447   2.960
  112    HA   SER 263           HA       SER 263  45.105   8.199   3.928
  113   1HB   SER 263          1HB       SER 263  45.789  10.215   3.227
  114   2HB   SER 263          2HB       SER 263  47.246   9.442   2.608
  115    HG   SER 263           HG       SER 263  46.477   9.586   0.647
  116    H    LEU 264           H        LEU 264  45.747   5.912   1.696
  117    HA   LEU 264           HA       LEU 264  43.829   6.534  -0.342
  118   1HB   LEU 264          1HB       LEU 264  45.501   4.173   0.394
  119   2HB   LEU 264          2HB       LEU 264  44.098   3.905  -0.641
  120    HG   LEU 264           HG       LEU 264  44.906   5.615  -2.210
  121   1HD1  LEU 264          1HD1      LEU 264  46.874   6.039  -0.010
  122   2HD1  LEU 264          2HD1      LEU 264  46.124   7.215  -1.090
  123   3HD1  LEU 264          3HD1      LEU 264  47.463   6.220  -1.663
  124   1HD2  LEU 264          1HD2      LEU 264  46.269   4.119  -3.244
  125   2HD2  LEU 264          2HD2      LEU 264  45.942   3.087  -1.852
  126   3HD2  LEU 264          3HD2      LEU 264  47.399   4.079  -1.891
  127    H    LEU 265           H        LEU 265  43.589   5.496   2.861
  128    HA   LEU 265           HA       LEU 265  41.262   3.830   2.615
  129   1HB   LEU 265          1HB       LEU 265  42.387   5.295   5.017
  130   2HB   LEU 265          2HB       LEU 265  41.134   4.053   5.067
  131    HG   LEU 265           HG       LEU 265  43.697   3.400   3.672
  132   1HD1  LEU 265          1HD1      LEU 265  44.439   4.450   5.775
  133   2HD1  LEU 265          2HD1      LEU 265  44.708   2.708   5.821
  134   3HD1  LEU 265          3HD1      LEU 265  43.342   3.411   6.686
  135   1HD2  LEU 265          1HD2      LEU 265  41.491   1.974   4.030
  136   2HD2  LEU 265          2HD2      LEU 265  42.206   1.664   5.612
  137   3HD2  LEU 265          3HD2      LEU 265  43.075   1.207   4.146
  138    H    ASN 266           H        ASN 266  41.885   7.246   2.946
  139    HA   ASN 266           HA       ASN 266  39.080   7.836   3.514
  140   1HB   ASN 266          1HB       ASN 266  39.778   9.879   4.217
  141   2HB   ASN 266          2HB       ASN 266  41.344   9.075   4.320
  142   1HD2  ASN 266          1HD2      ASN 266  42.872   9.418   2.522
  143   2HD2  ASN 266          2HD2      ASN 266  42.698  10.755   1.491
  144    H    ASP 267           H        ASP 267  41.474   8.330   0.945
  145    HA   ASP 267           HA       ASP 267  39.849   9.816  -0.807
  146   1HB   ASP 267          1HB       ASP 267  42.234   8.025  -1.211
  147   2HB   ASP 267          2HB       ASP 267  41.412   8.767  -2.583
  148    H    ALA 268           H        ALA 268  39.770   6.501   0.085
  149    HA   ALA 268           HA       ALA 268  38.501   5.515  -2.301
  150   1HB   ALA 268          1HB       ALA 268  39.631   3.865  -1.062
  151   2HB   ALA 268          2HB       ALA 268  37.930   3.566  -0.706
  152   3HB   ALA 268          3HB       ALA 268  38.941   4.412   0.466
  153    H    VAL 269           H        VAL 269  37.304   5.957   1.036
  154    HA   VAL 269           HA       VAL 269  34.648   5.483   0.732
  155    HB   VAL 269           HB       VAL 269  35.519   7.951   2.210
  156   1HG1  VAL 269          1HG1      VAL 269  33.114   7.133   2.132
  157   2HG1  VAL 269          2HG1      VAL 269  33.800   7.283   3.750
  158   3HG1  VAL 269          3HG1      VAL 269  33.657   5.695   2.996
  159   1HG2  VAL 269          1HG2      VAL 269  37.249   6.513   2.882
  160   2HG2  VAL 269          2HG2      VAL 269  36.237   5.075   2.740
  161   3HG2  VAL 269          3HG2      VAL 269  36.003   6.188   4.088
  162    H    THR 270           H        THR 270  36.441   8.073  -0.690
  163    HA   THR 270           HA       THR 270  34.025   9.557  -1.396
  164    HB   THR 270           HB       THR 270  36.971  10.068  -1.691
  165    HG1  THR 270           HG1      THR 270  36.119  12.074  -0.709
  166   1HG2  THR 270          1HG2      THR 270  36.276  10.797  -3.805
  167   2HG2  THR 270          2HG2      THR 270  36.101  12.253  -2.826
  168   3HG2  THR 270          3HG2      THR 270  34.683  11.279  -3.222
  169    H    VAL 271           H        VAL 271  36.871   8.548  -3.288
  170    HA   VAL 271           HA       VAL 271  35.701   8.640  -5.791
  171    HB   VAL 271           HB       VAL 271  37.848   6.754  -4.796
  172   1HG1  VAL 271          1HG1      VAL 271  38.487   6.800  -7.268
  173   2HG1  VAL 271          2HG1      VAL 271  36.895   7.495  -7.571
  174   3HG1  VAL 271          3HG1      VAL 271  37.034   5.883  -6.871
  175   1HG2  VAL 271          1HG2      VAL 271  37.906   9.485  -4.875
  176   2HG2  VAL 271          2HG2      VAL 271  38.481   9.093  -6.496
  177   3HG2  VAL 271          3HG2      VAL 271  39.331   8.467  -5.082
  178    H    VAL 272           H        VAL 272  35.224   6.329  -3.274
  179    HA   VAL 272           HA       VAL 272  34.067   4.347  -5.085
  180    HB   VAL 272           HB       VAL 272  34.460   4.367  -2.086
  181   1HG1  VAL 272          1HG1      VAL 272  32.982   2.546  -3.928
  182   2HG1  VAL 272          2HG1      VAL 272  32.682   2.913  -2.229
  183   3HG1  VAL 272          3HG1      VAL 272  33.969   1.793  -2.675
  184   1HG2  VAL 272          1HG2      VAL 272  36.304   3.987  -4.080
  185   2HG2  VAL 272          2HG2      VAL 272  35.736   2.339  -3.814
  186   3HG2  VAL 272          3HG2      VAL 272  36.416   3.263  -2.475
  187    H    LEU 273           H        LEU 273  33.075   6.998  -3.136
  188    HA   LEU 273           HA       LEU 273  30.293   6.039  -3.051
  189   1HB   LEU 273          1HB       LEU 273  31.233   6.945  -0.963
  190   2HB   LEU 273          2HB       LEU 273  31.560   8.476  -1.776
  191    HG   LEU 273           HG       LEU 273  28.815   7.732  -2.235
  192   1HD1  LEU 273          1HD1      LEU 273  29.094   6.424  -0.138
  193   2HD1  LEU 273          2HD1      LEU 273  27.991   7.785   0.071
  194   3HD1  LEU 273          3HD1      LEU 273  29.644   7.888   0.679
  195   1HD2  LEU 273          1HD2      LEU 273  29.726  10.015  -2.344
  196   2HD2  LEU 273          2HD2      LEU 273  30.124   9.951  -0.627
  197   3HD2  LEU 273          3HD2      LEU 273  28.438   9.931  -1.143
  198    H    TYR 274           H        TYR 274  32.191   8.864  -4.071
  199    HA   TYR 274           HA       TYR 274  30.014  10.161  -5.367
  200   1HB   TYR 274          1HB       TYR 274  33.008  10.491  -5.495
  201   2HB   TYR 274          2HB       TYR 274  31.911  11.484  -6.457
  202    HD1  TYR 274           HD1      TYR 274  32.439  10.314  -2.933
  203    HD2  TYR 274           HD2      TYR 274  31.020  13.436  -5.521
  204    HE1  TYR 274           HE1      TYR 274  32.026  11.761  -0.962
  205    HE2  TYR 274           HE2      TYR 274  30.607  14.883  -3.550
  206    HH   TYR 274           HH       TYR 274  30.301  14.776  -1.225
  207    H    LYS 275           H        LYS 275  32.987   9.018  -6.951
  208    HA   LYS 275           HA       LYS 275  31.733   8.756  -9.489
  209   1HB   LYS 275          1HB       LYS 275  34.275   7.345  -8.716
  210   2HB   LYS 275          2HB       LYS 275  33.824   8.036 -10.275
  211   1HG   LYS 275          1HG       LYS 275  33.667  10.246  -8.684
  212   2HG   LYS 275          2HG       LYS 275  34.964   9.360  -7.884
  213   1HD   LYS 275          1HD       LYS 275  36.107  10.631  -9.502
  214   2HD   LYS 275          2HD       LYS 275  35.936   9.055 -10.277
  215   1HE   LYS 275          1HE       LYS 275  33.597  10.244 -11.027
  216   2HE   LYS 275          2HE       LYS 275  34.671  11.641 -10.962
  217   1HZ   LYS 275          1HZ       LYS 275  35.471  11.008 -12.910
  218   2HZ   LYS 275          2HZ       LYS 275  34.557   9.576 -12.889
  219   3HZ   LYS 275          3HZ       LYS 275  36.100   9.612 -12.180
  220    H    LYS 276           H        LYS 276  32.435   6.492  -6.880
  221    HA   LYS 276           HA       LYS 276  31.829   4.301  -6.540
  222   1HB   LYS 276          1HB       LYS 276  29.594   5.375  -8.237
  223   2HB   LYS 276          2HB       LYS 276  29.625   3.669  -7.788
  224   1HG   LYS 276          1HG       LYS 276  29.240   4.104  -5.567
  225   2HG   LYS 276          2HG       LYS 276  30.130   5.626  -5.604
  226   1HD   LYS 276          1HD       LYS 276  27.679   5.969  -5.298
  227   2HD   LYS 276          2HD       LYS 276  28.285   6.720  -6.776
  228   1HE   LYS 276          1HE       LYS 276  27.169   5.259  -8.140
  229   2HE   LYS 276          2HE       LYS 276  27.367   3.907  -7.024
  230   1HZ   LYS 276          1HZ       LYS 276  25.419   6.133  -6.838
  231   2HZ   LYS 276          2HZ       LYS 276  25.721   5.054  -5.561
  232   3HZ   LYS 276          3HZ       LYS 276  25.088   4.481  -7.030
  233   1HN   NH2 277          1HN       NH2 277  33.064   5.304  -9.450
  234   2HN   NH2 277          2HN       NH2 277  33.186   3.792 -10.233
  Start of MODEL   45
    1   1H    HIS 250          1H        HIS 250  41.971  -4.688  12.123
    2   2H    HIS 250          2H        HIS 250  40.812  -5.239  13.235
    3   3H    HIS 250          3H        HIS 250  41.719  -6.352  12.328
    4    HA   HIS 250           HA       HIS 250  42.329  -5.783  14.808
    5   1HB   HIS 250          1HB       HIS 250  43.553  -7.055  12.672
    6   2HB   HIS 250          2HB       HIS 250  44.764  -5.876  13.175
    7    HD2  HIS 250           HD2      HIS 250  44.644  -5.987  16.366
    8    HE1  HIS 250           HE1      HIS 250  44.728 -10.195  16.037
    9    HE2  HIS 250           HE2      HIS 250  45.071  -8.238  17.619
   10    H    ILE 251           H        ILE 251  43.758  -4.439  15.985
   11    HA   ILE 251           HA       ILE 251  44.162  -1.780  14.763
   12    HB   ILE 251           HB       ILE 251  44.260  -2.343  17.718
   13   1HG1  ILE 251          1HG1      ILE 251  41.736  -1.384  17.323
   14   2HG1  ILE 251          2HG1      ILE 251  41.919  -2.413  15.903
   15   1HG2  ILE 251          1HG2      ILE 251  43.050   0.106  16.573
   16   2HG2  ILE 251          2HG2      ILE 251  44.774  -0.094  16.261
   17   3HG2  ILE 251          3HG2      ILE 251  44.174  -0.070  17.920
   18   1HD1  ILE 251          1HD1      ILE 251  40.990  -3.700  17.782
   19   2HD1  ILE 251          2HD1      ILE 251  42.378  -3.264  18.778
   20   3HD1  ILE 251          3HD1      ILE 251  42.597  -4.294  17.364
   21    H    ASN 252           H        ASN 252  45.874  -4.420  14.988
   22    HA   ASN 252           HA       ASN 252  48.270  -3.343  16.269
   23   1HB   ASN 252          1HB       ASN 252  47.453  -6.016  15.187
   24   2HB   ASN 252          2HB       ASN 252  49.165  -5.649  15.395
   25   1HD2  ASN 252          1HD2      ASN 252  46.493  -4.484  17.475
   26   2HD2  ASN 252          2HD2      ASN 252  47.030  -5.281  18.874
   27    H    GLU 253           H        GLU 253  46.822  -3.222  13.257
   28    HA   GLU 253           HA       GLU 253  49.311  -3.231  11.729
   29   1HB   GLU 253          1HB       GLU 253  46.614  -2.484  10.632
   30   2HB   GLU 253          2HB       GLU 253  47.982  -3.229   9.802
   31   1HG   GLU 253          1HG       GLU 253  46.024  -4.485  11.712
   32   2HG   GLU 253          2HG       GLU 253  46.522  -5.041  10.115
   33    H    LEU 254           H        LEU 254  47.924  -1.109  13.737
   34    HA   LEU 254           HA       LEU 254  47.634   1.304  12.415
   35   1HB   LEU 254          1HB       LEU 254  47.960   2.380  14.508
   36   2HB   LEU 254          2HB       LEU 254  47.224   0.824  14.874
   37    HG   LEU 254           HG       LEU 254  50.167   1.535  15.118
   38   1HD1  LEU 254          1HD1      LEU 254  49.740   1.890  17.299
   39   2HD1  LEU 254          2HD1      LEU 254  48.794   0.406  17.424
   40   3HD1  LEU 254          3HD1      LEU 254  48.029   1.897  16.872
   41   1HD2  LEU 254          1HD2      LEU 254  48.687  -1.093  15.343
   42   2HD2  LEU 254          2HD2      LEU 254  50.220  -0.822  16.168
   43   3HD2  LEU 254          3HD2      LEU 254  50.140  -0.739  14.411
   44    H    LEU 255           H        LEU 255  50.365  -0.596  12.416
   45    HA   LEU 255           HA       LEU 255  52.211   1.674  12.130
   46   1HB   LEU 255          1HB       LEU 255  52.675  -1.298  12.436
   47   2HB   LEU 255          2HB       LEU 255  53.962  -0.140  12.102
   48    HG   LEU 255           HG       LEU 255  52.132   0.501  14.361
   49   1HD1  LEU 255          1HD1      LEU 255  53.451  -0.948  15.891
   50   2HD1  LEU 255          2HD1      LEU 255  54.267  -1.651  14.494
   51   3HD1  LEU 255          3HD1      LEU 255  52.534  -1.893  14.717
   52   1HD2  LEU 255          1HD2      LEU 255  54.219   1.367  15.311
   53   2HD2  LEU 255          2HD2      LEU 255  54.032   1.953  13.658
   54   3HD2  LEU 255          3HD2      LEU 255  55.144   0.628  14.004
   55    H    HIS 256           H        HIS 256  50.945  -1.149  10.415
   56    HA   HIS 256           HA       HIS 256  52.407  -0.421   7.992
   57   1HB   HIS 256          1HB       HIS 256  50.538  -2.733   8.557
   58   2HB   HIS 256          2HB       HIS 256  51.492  -2.519   7.087
   59    HD2  HIS 256           HD2      HIS 256  52.093  -3.332  10.905
   60    HE1  HIS 256           HE1      HIS 256  55.655  -4.137   8.784
   61    HE2  HIS 256           HE2      HIS 256  54.511  -4.314  11.044
   62    H    ILE 257           H        ILE 257  49.107  -1.675   8.162
   63    HA   ILE 257           HA       ILE 257  48.031  -0.528   5.979
   64    HB   ILE 257           HB       ILE 257  46.845  -1.118   8.665
   65   1HG1  ILE 257          1HG1      ILE 257  46.179  -2.143   5.891
   66   2HG1  ILE 257          2HG1      ILE 257  47.426  -2.866   6.907
   67   1HG2  ILE 257          1HG2      ILE 257  45.550   0.361   6.374
   68   2HG2  ILE 257          2HG2      ILE 257  45.478   0.724   8.099
   69   3HG2  ILE 257          3HG2      ILE 257  44.593  -0.655   7.451
   70   1HD1  ILE 257          1HD1      ILE 257  44.686  -3.458   6.953
   71   2HD1  ILE 257          2HD1      ILE 257  44.962  -2.485   8.398
   72   3HD1  ILE 257          3HD1      ILE 257  45.890  -3.962   8.138
   73    H    LEU 258           H        LEU 258  48.263   1.071   9.147
   74    HA   LEU 258           HA       LEU 258  46.951   3.409   8.753
   75   1HB   LEU 258          1HB       LEU 258  48.555   2.581  10.680
   76   2HB   LEU 258          2HB       LEU 258  49.714   3.628   9.861
   77    HG   LEU 258           HG       LEU 258  46.967   4.451  10.851
   78   1HD1  LEU 258          1HD1      LEU 258  48.405   4.261  12.737
   79   2HD1  LEU 258          2HD1      LEU 258  48.439   5.971  12.308
   80   3HD1  LEU 258          3HD1      LEU 258  49.780   4.919  11.852
   81   1HD2  LEU 258          1HD2      LEU 258  49.122   5.859   9.274
   82   2HD2  LEU 258          2HD2      LEU 258  47.993   6.768  10.278
   83   3HD2  LEU 258          3HD2      LEU 258  47.391   5.784   8.945
   84    H    VAL 259           H        VAL 259  50.415   3.029   7.927
   85    HA   VAL 259           HA       VAL 259  50.322   5.421   6.289
   86    HB   VAL 259           HB       VAL 259  52.292   4.529   7.767
   87   1HG1  VAL 259          1HG1      VAL 259  52.221   2.322   6.400
   88   2HG1  VAL 259          2HG1      VAL 259  53.797   3.036   6.735
   89   3HG1  VAL 259          3HG1      VAL 259  53.056   3.242   5.149
   90   1HG2  VAL 259          1HG2      VAL 259  53.890   5.482   5.909
   91   2HG2  VAL 259          2HG2      VAL 259  52.676   6.536   6.631
   92   3HG2  VAL 259          3HG2      VAL 259  52.386   5.811   5.049
   93    H    PHE 260           H        PHE 260  50.246   1.956   5.828
   94    HA   PHE 260           HA       PHE 260  50.803   2.068   3.003
   95   1HB   PHE 260          1HB       PHE 260  50.091  -0.030   4.977
   96   2HB   PHE 260          2HB       PHE 260  49.626  -0.338   3.305
   97    HD1  PHE 260           HD1      PHE 260  51.323  -0.473   1.523
   98    HD2  PHE 260           HD2      PHE 260  52.425   0.115   5.633
   99    HE1  PHE 260           HE1      PHE 260  53.671  -1.054   0.976
  100    HE2  PHE 260           HE2      PHE 260  54.773  -0.466   5.087
  101    HZ   PHE 260           HZ       PHE 260  55.396  -1.051   2.758
  102    H    GLY 261           H        GLY 261  48.288   3.196   4.720
  103   1HA   GLY 261          1HA       GLY 261  46.536   3.260   2.424
  104   2HA   GLY 261          2HA       GLY 261  45.907   2.303   3.763
  105    H    GLU 262           H        GLU 262  47.962   4.998   4.475
  106    HA   GLU 262           HA       GLU 262  46.310   6.249   6.276
  107   1HB   GLU 262          1HB       GLU 262  47.592   8.404   5.489
  108   2HB   GLU 262          2HB       GLU 262  48.472   7.095   6.275
  109   1HG   GLU 262          1HG       GLU 262  49.581   6.516   4.365
  110   2HG   GLU 262          2HG       GLU 262  48.196   6.851   3.331
  111    H    SER 263           H        SER 263  46.937   8.151   3.394
  112    HA   SER 263           HA       SER 263  44.145   8.991   3.359
  113   1HB   SER 263          1HB       SER 263  46.374   9.938   1.554
  114   2HB   SER 263          2HB       SER 263  44.858  10.757   1.921
  115    HG   SER 263           HG       SER 263  47.185  10.493   3.433
  116    H    LEU 264           H        LEU 264  46.050   6.632   1.920
  117    HA   LEU 264           HA       LEU 264  45.165   6.575  -0.740
  118   1HB   LEU 264          1HB       LEU 264  46.780   4.989   0.854
  119   2HB   LEU 264          2HB       LEU 264  45.429   3.925   0.461
  120    HG   LEU 264           HG       LEU 264  47.091   5.491  -1.537
  121   1HD1  LEU 264          1HD1      LEU 264  46.930   2.538  -0.867
  122   2HD1  LEU 264          2HD1      LEU 264  48.326   3.595  -0.648
  123   3HD1  LEU 264          3HD1      LEU 264  47.771   3.192  -2.273
  124   1HD2  LEU 264          1HD2      LEU 264  45.676   3.655  -2.967
  125   2HD2  LEU 264          2HD2      LEU 264  45.143   5.319  -2.724
  126   3HD2  LEU 264          3HD2      LEU 264  44.514   4.031  -1.695
  127    H    LEU 265           H        LEU 265  43.726   5.243   2.209
  128    HA   LEU 265           HA       LEU 265  41.490   4.084   0.775
  129   1HB   LEU 265          1HB       LEU 265  42.376   4.238   3.623
  130   2HB   LEU 265          2HB       LEU 265  40.671   3.926   3.296
  131    HG   LEU 265           HG       LEU 265  42.738   2.365   1.787
  132   1HD1  LEU 265          1HD1      LEU 265  43.545   2.084   4.027
  133   2HD1  LEU 265          2HD1      LEU 265  42.585   0.649   3.662
  134   3HD1  LEU 265          3HD1      LEU 265  41.908   1.931   4.665
  135   1HD2  LEU 265          1HD2      LEU 265  40.080   2.385   1.608
  136   2HD2  LEU 265          2HD2      LEU 265  40.213   1.282   2.977
  137   3HD2  LEU 265          3HD2      LEU 265  40.988   0.883   1.445
  138    H    ASN 266           H        ASN 266  41.963   6.775   3.064
  139    HA   ASN 266           HA       ASN 266  39.351   7.723   3.162
  140   1HB   ASN 266          1HB       ASN 266  40.263   9.367   4.393
  141   2HB   ASN 266          2HB       ASN 266  41.807   8.554   4.138
  142   1HD2  ASN 266          1HD2      ASN 266  42.880   9.192   1.906
  143   2HD2  ASN 266          2HD2      ASN 266  42.788  10.836   1.492
  144    H    ASP 267           H        ASP 267  41.767   8.043   0.659
  145    HA   ASP 267           HA       ASP 267  40.445  10.146  -0.778
  146   1HB   ASP 267          1HB       ASP 267  42.714   8.272  -1.332
  147   2HB   ASP 267          2HB       ASP 267  41.988   9.166  -2.667
  148    H    ALA 268           H        ALA 268  40.376   6.632  -0.831
  149    HA   ALA 268           HA       ALA 268  38.642   6.603  -3.187
  150   1HB   ALA 268          1HB       ALA 268  40.342   4.679  -1.788
  151   2HB   ALA 268          2HB       ALA 268  39.805   4.694  -3.468
  152   3HB   ALA 268          3HB       ALA 268  38.765   4.015  -2.216
  153    H    VAL 269           H        VAL 269  38.521   6.130   0.284
  154    HA   VAL 269           HA       VAL 269  35.860   5.064   0.346
  155    HB   VAL 269           HB       VAL 269  37.646   6.281   2.456
  156   1HG1  VAL 269          1HG1      VAL 269  35.461   6.723   3.263
  157   2HG1  VAL 269          2HG1      VAL 269  35.901   5.189   4.014
  158   3HG1  VAL 269          3HG1      VAL 269  34.827   5.210   2.616
  159   1HG2  VAL 269          1HG2      VAL 269  38.401   4.169   2.749
  160   2HG2  VAL 269          2HG2      VAL 269  37.620   3.780   1.217
  161   3HG2  VAL 269          3HG2      VAL 269  36.764   3.511   2.736
  162    H    THR 270           H        THR 270  37.292   8.276   0.752
  163    HA   THR 270           HA       THR 270  35.022   9.672   1.589
  164    HB   THR 270           HB       THR 270  37.388  10.542  -0.073
  165    HG1  THR 270           HG1      THR 270  37.378   9.893   2.297
  166   1HG2  THR 270          1HG2      THR 270  36.439  12.845   0.952
  167   2HG2  THR 270          2HG2      THR 270  34.915  11.984   0.732
  168   3HG2  THR 270          3HG2      THR 270  35.980  12.258  -0.646
  169    H    VAL 271           H        VAL 271  36.243   9.167  -1.722
  170    HA   VAL 271           HA       VAL 271  34.160  10.507  -3.055
  171    HB   VAL 271           HB       VAL 271  35.977   8.257  -3.934
  172   1HG1  VAL 271          1HG1      VAL 271  33.861   9.818  -5.417
  173   2HG1  VAL 271          2HG1      VAL 271  34.127   8.075  -5.398
  174   3HG1  VAL 271          3HG1      VAL 271  35.248   9.128  -6.261
  175   1HG2  VAL 271          1HG2      VAL 271  36.213  10.882  -5.195
  176   2HG2  VAL 271          2HG2      VAL 271  37.454   9.902  -4.415
  177   3HG2  VAL 271          3HG2      VAL 271  36.437  10.967  -3.447
  178    H    VAL 272           H        VAL 272  34.394   7.263  -1.755
  179    HA   VAL 272           HA       VAL 272  31.888   6.450  -3.022
  180    HB   VAL 272           HB       VAL 272  33.809   4.990  -1.198
  181   1HG1  VAL 272          1HG1      VAL 272  32.397   2.990  -2.004
  182   2HG1  VAL 272          2HG1      VAL 272  31.178   4.186  -2.443
  183   3HG1  VAL 272          3HG1      VAL 272  31.687   4.022  -0.763
  184   1HG2  VAL 272          1HG2      VAL 272  33.154   4.700  -4.147
  185   2HG2  VAL 272          2HG2      VAL 272  34.300   3.706  -3.248
  186   3HG2  VAL 272          3HG2      VAL 272  34.624   5.422  -3.494
  187    H    LEU 273           H        LEU 273  32.958   7.910  -0.139
  188    HA   LEU 273           HA       LEU 273  30.670   6.986   1.434
  189   1HB   LEU 273          1HB       LEU 273  32.921   7.177   2.481
  190   2HB   LEU 273          2HB       LEU 273  32.888   8.910   2.169
  191    HG   LEU 273           HG       LEU 273  30.823   9.099   3.551
  192   1HD1  LEU 273          1HD1      LEU 273  30.587   6.942   5.100
  193   2HD1  LEU 273          2HD1      LEU 273  31.208   6.133   3.662
  194   3HD1  LEU 273          3HD1      LEU 273  29.716   7.069   3.573
  195   1HD2  LEU 273          1HD2      LEU 273  33.238   9.252   4.449
  196   2HD2  LEU 273          2HD2      LEU 273  32.949   7.654   5.132
  197   3HD2  LEU 273          3HD2      LEU 273  31.952   9.019   5.631
  198    H    TYR 274           H        TYR 274  32.112  10.210   0.989
  199    HA   TYR 274           HA       TYR 274  29.601  11.532   1.387
  200   1HB   TYR 274          1HB       TYR 274  32.306  12.501   0.453
  201   2HB   TYR 274          2HB       TYR 274  30.923  13.568   0.686
  202    HD1  TYR 274           HD1      TYR 274  33.343  11.336   2.369
  203    HD2  TYR 274           HD2      TYR 274  30.101  14.105   2.899
  204    HE1  TYR 274           HE1      TYR 274  33.855  11.475   4.792
  205    HE2  TYR 274           HE2      TYR 274  30.612  14.240   5.323
  206    HH   TYR 274           HH       TYR 274  33.499  13.043   6.660
  207    H    LYS 275           H        LYS 275  31.752  12.178  -1.318
  208    HA   LYS 275           HA       LYS 275  29.859  13.030  -3.125
  209   1HB   LYS 275          1HB       LYS 275  32.256  11.464  -4.034
  210   2HB   LYS 275          2HB       LYS 275  31.527  12.897  -4.761
  211   1HG   LYS 275          1HG       LYS 275  32.162  13.864  -2.290
  212   2HG   LYS 275          2HG       LYS 275  33.461  12.694  -2.525
  213   1HD   LYS 275          1HD       LYS 275  34.324  14.661  -3.494
  214   2HD   LYS 275          2HD       LYS 275  33.704  13.765  -4.880
  215   1HE   LYS 275          1HE       LYS 275  32.609  15.708  -5.346
  216   2HE   LYS 275          2HE       LYS 275  31.472  15.146  -4.121
  217   1HZ   LYS 275          1HZ       LYS 275  33.868  16.706  -3.384
  218   2HZ   LYS 275          2HZ       LYS 275  32.432  16.480  -2.503
  219   3HZ   LYS 275          3HZ       LYS 275  32.441  17.479  -3.878
  220    H    LYS 276           H        LYS 276  30.818   9.720  -2.392
  221    HA   LYS 276           HA       LYS 276  29.901   7.718  -2.964
  222   1HB   LYS 276          1HB       LYS 276  27.762   9.455  -2.672
  223   2HB   LYS 276          2HB       LYS 276  27.495   8.755  -4.269
  224   1HG   LYS 276          1HG       LYS 276  26.429   7.211  -2.875
  225   2HG   LYS 276          2HG       LYS 276  28.019   6.483  -3.072
  226   1HD   LYS 276          1HD       LYS 276  28.727   7.642  -0.949
  227   2HD   LYS 276          2HD       LYS 276  27.051   8.142  -0.730
  228   1HE   LYS 276          1HE       LYS 276  28.224   5.374  -0.637
  229   2HE   LYS 276          2HE       LYS 276  27.140   6.158   0.512
  230   1HZ   LYS 276          1HZ       LYS 276  25.352   6.004  -1.041
  231   2HZ   LYS 276          2HZ       LYS 276  26.050   4.462  -0.893
  232   3HZ   LYS 276          3HZ       LYS 276  26.377   5.418  -2.259
  233   1HN   NH2 277          1HN       NH2 277  29.582  10.219  -5.506
  234   2HN   NH2 277          2HN       NH2 277  29.978   9.173  -6.794
  Start of MODEL   46
    1   1H    HIS 250          1H        HIS 250  53.861  -2.080   0.621
    2   2H    HIS 250          2H        HIS 250  54.132  -1.585   2.223
    3   3H    HIS 250          3H        HIS 250  53.616  -3.170   1.895
    4    HA   HIS 250           HA       HIS 250  55.654  -3.824   1.051
    5   1HB   HIS 250          1HB       HIS 250  55.716  -1.085   0.193
    6   2HB   HIS 250          2HB       HIS 250  57.220  -1.449   1.038
    7    HD2  HIS 250           HD2      HIS 250  57.780  -4.491   0.025
    8    HE1  HIS 250           HE1      HIS 250  57.270  -2.978  -3.884
    9    HE2  HIS 250           HE2      HIS 250  58.184  -4.916  -2.520
   10    H    ILE 251           H        ILE 251  58.074  -3.081   2.042
   11    HA   ILE 251           HA       ILE 251  57.593  -3.110   4.952
   12    HB   ILE 251           HB       ILE 251  60.011  -3.993   3.359
   13   1HG1  ILE 251          1HG1      ILE 251  58.651  -6.019   4.920
   14   2HG1  ILE 251          2HG1      ILE 251  57.527  -5.257   3.794
   15   1HG2  ILE 251          1HG2      ILE 251  59.385  -3.819   6.294
   16   2HG2  ILE 251          2HG2      ILE 251  60.879  -3.414   5.450
   17   3HG2  ILE 251          3HG2      ILE 251  60.441  -5.103   5.703
   18   1HD1  ILE 251          1HD1      ILE 251  59.040  -5.698   1.927
   19   2HD1  ILE 251          2HD1      ILE 251  58.711  -7.205   2.783
   20   3HD1  ILE 251          3HD1      ILE 251  60.243  -6.367   3.029
   21    H    ASN 252           H        ASN 252  59.521  -1.580   2.414
   22    HA   ASN 252           HA       ASN 252  60.825   0.210   4.295
   23   1HB   ASN 252          1HB       ASN 252  60.911  -0.137   1.305
   24   2HB   ASN 252          2HB       ASN 252  61.671   1.244   2.095
   25   1HD2  ASN 252          1HD2      ASN 252  61.468  -2.208   3.122
   26   2HD2  ASN 252          2HD2      ASN 252  63.149  -2.417   3.243
   27    H    GLU 253           H        GLU 253  57.943   0.137   2.448
   28    HA   GLU 253           HA       GLU 253  57.655   3.036   2.354
   29   1HB   GLU 253          1HB       GLU 253  55.741   0.834   1.545
   30   2HB   GLU 253          2HB       GLU 253  55.517   2.556   1.236
   31   1HG   GLU 253          1HG       GLU 253  57.786   2.480   0.045
   32   2HG   GLU 253          2HG       GLU 253  57.638   0.725   0.106
   33    H    LEU 254           H        LEU 254  56.094   0.256   3.930
   34    HA   LEU 254           HA       LEU 254  54.085   1.545   5.324
   35   1HB   LEU 254          1HB       LEU 254  55.480  -0.978   5.501
   36   2HB   LEU 254          2HB       LEU 254  55.130  -0.354   7.114
   37    HG   LEU 254           HG       LEU 254  53.076  -0.531   4.892
   38   1HD1  LEU 254          1HD1      LEU 254  52.194  -2.406   6.457
   39   2HD1  LEU 254          2HD1      LEU 254  53.836  -2.440   7.098
   40   3HD1  LEU 254          3HD1      LEU 254  53.549  -2.785   5.393
   41   1HD2  LEU 254          1HD2      LEU 254  51.743   0.611   6.307
   42   2HD2  LEU 254          2HD2      LEU 254  53.138   0.859   7.358
   43   3HD2  LEU 254          3HD2      LEU 254  52.082  -0.533   7.606
   44    H    LEU 255           H        LEU 255  57.397   2.091   5.572
   45    HA   LEU 255           HA       LEU 255  57.490   2.794   8.366
   46   1HB   LEU 255          1HB       LEU 255  59.429   3.562   6.173
   47   2HB   LEU 255          2HB       LEU 255  59.736   3.545   7.909
   48    HG   LEU 255           HG       LEU 255  59.060   1.120   6.217
   49   1HD1  LEU 255          1HD1      LEU 255  61.325   1.954   5.786
   50   2HD1  LEU 255          2HD1      LEU 255  61.401   0.462   6.723
   51   3HD1  LEU 255          3HD1      LEU 255  61.649   2.017   7.519
   52   1HD2  LEU 255          1HD2      LEU 255  58.256   0.574   8.341
   53   2HD2  LEU 255          2HD2      LEU 255  59.443   1.586   9.161
   54   3HD2  LEU 255          3HD2      LEU 255  59.933   0.043   8.463
   55    H    HIS 256           H        HIS 256  58.403   4.940   5.692
   56    HA   HIS 256           HA       HIS 256  57.068   7.149   7.089
   57   1HB   HIS 256          1HB       HIS 256  58.773   7.444   4.632
   58   2HB   HIS 256          2HB       HIS 256  58.495   8.600   5.935
   59    HD2  HIS 256           HD2      HIS 256  60.854   5.606   5.111
   60    HE1  HIS 256           HE1      HIS 256  61.839   6.971   8.982
   61    HE2  HIS 256           HE2      HIS 256  62.546   5.429   7.092
   62    H    ILE 257           H        ILE 257  57.474   6.129   3.692
   63    HA   ILE 257           HA       ILE 257  55.471   7.637   2.544
   64    HB   ILE 257           HB       ILE 257  56.216   4.800   1.792
   65   1HG1  ILE 257          1HG1      ILE 257  57.370   7.397   0.741
   66   2HG1  ILE 257          2HG1      ILE 257  58.128   6.472   2.037
   67   1HG2  ILE 257          1HG2      ILE 257  54.281   5.410   0.559
   68   2HG2  ILE 257          2HG2      ILE 257  55.628   5.763  -0.521
   69   3HG2  ILE 257          3HG2      ILE 257  54.838   7.071   0.357
   70   1HD1  ILE 257          1HD1      ILE 257  58.931   6.019  -0.381
   71   2HD1  ILE 257          2HD1      ILE 257  57.400   5.168  -0.584
   72   3HD1  ILE 257          3HD1      ILE 257  58.558   4.624   0.630
   73    H    LEU 258           H        LEU 258  55.099   5.234   4.876
   74    HA   LEU 258           HA       LEU 258  52.866   3.798   4.348
   75   1HB   LEU 258          1HB       LEU 258  52.633   3.510   6.623
   76   2HB   LEU 258          2HB       LEU 258  54.260   4.173   6.567
   77    HG   LEU 258           HG       LEU 258  53.075   6.498   6.784
   78   1HD1  LEU 258          1HD1      LEU 258  51.045   5.408   8.519
   79   2HD1  LEU 258          2HD1      LEU 258  50.795   4.794   6.888
   80   3HD1  LEU 258          3HD1      LEU 258  50.855   6.530   7.176
   81   1HD2  LEU 258          1HD2      LEU 258  54.370   6.066   8.614
   82   2HD2  LEU 258          2HD2      LEU 258  53.721   4.438   8.823
   83   3HD2  LEU 258          3HD2      LEU 258  52.803   5.834   9.389
   84    H    VAL 259           H        VAL 259  53.026   7.256   4.726
   85    HA   VAL 259           HA       VAL 259  50.308   7.794   5.234
   86    HB   VAL 259           HB       VAL 259  52.050   9.500   5.474
   87   1HG1  VAL 259          1HG1      VAL 259  53.325  10.318   3.699
   88   2HG1  VAL 259          2HG1      VAL 259  52.156   9.795   2.486
   89   3HG1  VAL 259          3HG1      VAL 259  53.197   8.611   3.278
   90   1HG2  VAL 259          1HG2      VAL 259  50.542  10.783   3.317
   91   2HG2  VAL 259          2HG2      VAL 259  50.528  11.121   5.049
   92   3HG2  VAL 259          3HG2      VAL 259  49.510   9.839   4.391
   93    H    PHE 260           H        PHE 260  52.078   7.787   2.127
   94    HA   PHE 260           HA       PHE 260  49.881   8.291   0.472
   95   1HB   PHE 260          1HB       PHE 260  52.517   6.915   0.063
   96   2HB   PHE 260          2HB       PHE 260  51.313   6.915  -1.226
   97    HD1  PHE 260           HD1      PHE 260  53.574   8.990   0.804
   98    HD2  PHE 260           HD2      PHE 260  50.612   8.998  -2.307
   99    HE1  PHE 260           HE1      PHE 260  54.214  11.308   0.200
  100    HE2  PHE 260           HE2      PHE 260  51.251  11.316  -2.910
  101    HZ   PHE 260           HZ       PHE 260  53.053  12.471  -1.656
  102    H    GLY 261           H        GLY 261  50.344   5.712   2.511
  103   1HA   GLY 261          1HA       GLY 261  48.704   3.888   0.855
  104   2HA   GLY 261          2HA       GLY 261  49.788   3.368   2.141
  105    H    GLU 262           H        GLU 262  48.803   5.797   3.733
  106    HA   GLU 262           HA       GLU 262  46.609   4.386   5.014
  107   1HB   GLU 262          1HB       GLU 262  47.045   5.657   6.877
  108   2HB   GLU 262          2HB       GLU 262  48.623   5.746   6.098
  109   1HG   GLU 262          1HG       GLU 262  47.725   7.865   4.931
  110   2HG   GLU 262          2HG       GLU 262  46.434   7.826   6.132
  111    H    SER 263           H        SER 263  47.104   7.162   2.967
  112    HA   SER 263           HA       SER 263  44.365   8.108   3.376
  113   1HB   SER 263          1HB       SER 263  46.745   9.167   1.868
  114   2HB   SER 263          2HB       SER 263  45.133   9.833   1.622
  115    HG   SER 263           HG       SER 263  46.781  10.516   3.475
  116    H    LEU 264           H        LEU 264  45.908   5.820   1.521
  117    HA   LEU 264           HA       LEU 264  44.767   6.158  -1.033
  118   1HB   LEU 264          1HB       LEU 264  46.384   4.242   0.277
  119   2HB   LEU 264          2HB       LEU 264  44.997   3.369  -0.373
  120    HG   LEU 264           HG       LEU 264  46.760   5.276  -1.943
  121   1HD1  LEU 264          1HD1      LEU 264  46.718   2.574  -2.919
  122   2HD1  LEU 264          2HD1      LEU 264  47.149   2.558  -1.209
  123   3HD1  LEU 264          3HD1      LEU 264  48.097   3.514  -2.349
  124   1HD2  LEU 264          1HD2      LEU 264  44.154   3.995  -2.455
  125   2HD2  LEU 264          2HD2      LEU 264  45.344   3.727  -3.728
  126   3HD2  LEU 264          3HD2      LEU 264  44.909   5.370  -3.260
  127    H    LEU 265           H        LEU 265  43.460   4.965   1.964
  128    HA   LEU 265           HA       LEU 265  41.108   3.825   0.655
  129   1HB   LEU 265          1HB       LEU 265  40.464   3.565   3.199
  130   2HB   LEU 265          2HB       LEU 265  41.656   2.491   2.466
  131    HG   LEU 265           HG       LEU 265  42.658   5.057   3.609
  132   1HD1  LEU 265          1HD1      LEU 265  42.832   3.834   5.856
  133   2HD1  LEU 265          2HD1      LEU 265  41.605   2.732   5.231
  134   3HD1  LEU 265          3HD1      LEU 265  41.237   4.446   5.422
  135   1HD2  LEU 265          1HD2      LEU 265  43.933   3.064   2.448
  136   2HD2  LEU 265          2HD2      LEU 265  43.775   2.296   4.028
  137   3HD2  LEU 265          3HD2      LEU 265  44.632   3.830   3.874
  138    H    ASN 266           H        ASN 266  42.089   6.672   2.426
  139    HA   ASN 266           HA       ASN 266  39.507   7.661   3.061
  140   1HB   ASN 266          1HB       ASN 266  42.233   8.896   2.807
  141   2HB   ASN 266          2HB       ASN 266  40.814   9.913   3.057
  142   1HD2  ASN 266          1HD2      ASN 266  42.270   6.909   4.447
  143   2HD2  ASN 266          2HD2      ASN 266  41.867   7.291   6.050
  144    H    ASP 267           H        ASP 267  41.746   9.091   0.689
  145    HA   ASP 267           HA       ASP 267  39.980  10.623  -0.726
  146   1HB   ASP 267          1HB       ASP 267  42.509   9.227  -1.421
  147   2HB   ASP 267          2HB       ASP 267  41.538   9.830  -2.763
  148    H    ALA 268           H        ALA 268  40.196   7.174  -0.673
  149    HA   ALA 268           HA       ALA 268  38.551   6.859  -3.071
  150   1HB   ALA 268          1HB       ALA 268  39.083   4.598  -2.989
  151   2HB   ALA 268          2HB       ALA 268  39.288   4.604  -1.238
  152   3HB   ALA 268          3HB       ALA 268  40.523   5.320  -2.273
  153    H    VAL 269           H        VAL 269  38.379   6.206   0.418
  154    HA   VAL 269           HA       VAL 269  35.793   5.131   0.499
  155    HB   VAL 269           HB       VAL 269  37.449   6.650   2.505
  156   1HG1  VAL 269          1HG1      VAL 269  34.584   5.771   2.652
  157   2HG1  VAL 269          2HG1      VAL 269  35.340   7.221   3.312
  158   3HG1  VAL 269          3HG1      VAL 269  35.587   5.662   4.098
  159   1HG2  VAL 269          1HG2      VAL 269  37.552   4.060   1.618
  160   2HG2  VAL 269          2HG2      VAL 269  36.464   3.905   2.998
  161   3HG2  VAL 269          3HG2      VAL 269  38.079   4.578   3.219
  162    H    THR 270           H        THR 270  36.911   8.486   0.582
  163    HA   THR 270           HA       THR 270  34.635   9.853   1.266
  164    HB   THR 270           HB       THR 270  36.858  10.861   0.654
  165    HG1  THR 270           HG1      THR 270  35.823  12.690  -0.406
  166   1HG2  THR 270          1HG2      THR 270  35.962  11.060  -2.173
  167   2HG2  THR 270          2HG2      THR 270  36.627   9.509  -1.663
  168   3HG2  THR 270          3HG2      THR 270  37.595  10.975  -1.513
  169    H    VAL 271           H        VAL 271  35.291   8.092  -1.677
  170    HA   VAL 271           HA       VAL 271  32.961   9.139  -3.059
  171    HB   VAL 271           HB       VAL 271  34.829   6.870  -3.785
  172   1HG1  VAL 271          1HG1      VAL 271  32.866   6.519  -5.038
  173   2HG1  VAL 271          2HG1      VAL 271  33.858   7.503  -6.114
  174   3HG1  VAL 271          3HG1      VAL 271  32.549   8.248  -5.196
  175   1HG2  VAL 271          1HG2      VAL 271  35.052   9.776  -3.915
  176   2HG2  VAL 271          2HG2      VAL 271  35.183   9.039  -5.513
  177   3HG2  VAL 271          3HG2      VAL 271  36.281   8.548  -4.221
  178    H    VAL 272           H        VAL 272  33.869   6.325  -1.182
  179    HA   VAL 272           HA       VAL 272  31.375   4.942  -1.818
  180    HB   VAL 272           HB       VAL 272  33.666   4.185   0.012
  181   1HG1  VAL 272          1HG1      VAL 272  31.881   2.950   0.856
  182   2HG1  VAL 272          2HG1      VAL 272  32.462   1.872  -0.413
  183   3HG1  VAL 272          3HG1      VAL 272  31.053   2.892  -0.700
  184   1HG2  VAL 272          1HG2      VAL 272  33.970   2.455  -1.877
  185   2HG2  VAL 272          2HG2      VAL 272  34.459   4.113  -2.228
  186   3HG2  VAL 272          3HG2      VAL 272  32.922   3.499  -2.837
  187    H    LEU 273           H        LEU 273  32.511   7.220   0.405
  188    HA   LEU 273           HA       LEU 273  30.690   6.416   2.547
  189   1HB   LEU 273          1HB       LEU 273  33.132   7.616   2.615
  190   2HB   LEU 273          2HB       LEU 273  32.072   9.020   2.721
  191    HG   LEU 273           HG       LEU 273  30.800   7.653   4.528
  192   1HD1  LEU 273          1HD1      LEU 273  32.532   5.676   3.787
  193   2HD1  LEU 273          2HD1      LEU 273  31.743   5.750   5.363
  194   3HD1  LEU 273          3HD1      LEU 273  33.386   6.363   5.168
  195   1HD2  LEU 273          1HD2      LEU 273  32.610   8.326   6.243
  196   2HD2  LEU 273          2HD2      LEU 273  31.969   9.604   5.210
  197   3HD2  LEU 273          3HD2      LEU 273  33.540   8.885   4.853
  198    H    TYR 274           H        TYR 274  31.318   9.506   0.869
  199    HA   TYR 274           HA       TYR 274  28.966  10.798   1.531
  200   1HB   TYR 274          1HB       TYR 274  29.672  12.403   0.094
  201   2HB   TYR 274          2HB       TYR 274  31.129  11.414  -0.013
  202    HD1  TYR 274           HD1      TYR 274  30.814   9.292  -1.684
  203    HD2  TYR 274           HD2      TYR 274  28.712  13.031  -1.937
  204    HE1  TYR 274           HE1      TYR 274  30.368   8.881  -4.090
  205    HE2  TYR 274           HE2      TYR 274  28.267  12.619  -4.340
  206    HH   TYR 274           HH       TYR 274  28.352  11.100  -5.990
  207    H    LYS 275           H        LYS 275  29.457   8.174  -0.653
  208    HA   LYS 275           HA       LYS 275  27.178   8.518  -2.308
  209   1HB   LYS 275          1HB       LYS 275  29.017   7.020  -2.917
  210   2HB   LYS 275          2HB       LYS 275  28.652   5.990  -1.533
  211   1HG   LYS 275          1HG       LYS 275  26.975   4.957  -2.634
  212   2HG   LYS 275          2HG       LYS 275  26.281   6.496  -3.149
  213   1HD   LYS 275          1HD       LYS 275  28.722   5.272  -4.456
  214   2HD   LYS 275          2HD       LYS 275  27.080   4.990  -5.035
  215   1HE   LYS 275          1HE       LYS 275  27.576   7.823  -4.581
  216   2HE   LYS 275          2HE       LYS 275  28.729   7.139  -5.727
  217   1HZ   LYS 275          1HZ       LYS 275  27.133   7.271  -7.238
  218   2HZ   LYS 275          2HZ       LYS 275  25.967   7.695  -6.078
  219   3HZ   LYS 275          3HZ       LYS 275  26.293   6.060  -6.401
  220    H    LYS 276           H        LYS 276  27.711   6.394   0.513
  221    HA   LYS 276           HA       LYS 276  24.780   6.186   0.821
  222   1HB   LYS 276          1HB       LYS 276  26.050   4.386   2.576
  223   2HB   LYS 276          2HB       LYS 276  25.186   4.000   1.088
  224   1HG   LYS 276          1HG       LYS 276  27.255   4.305  -0.211
  225   2HG   LYS 276          2HG       LYS 276  28.126   4.727   1.264
  226   1HD   LYS 276          1HD       LYS 276  28.488   2.551   1.690
  227   2HD   LYS 276          2HD       LYS 276  26.748   2.259   1.714
  228   1HE   LYS 276          1HE       LYS 276  28.501   2.293  -0.762
  229   2HE   LYS 276          2HE       LYS 276  27.836   0.854   0.010
  230   1HZ   LYS 276          1HZ       LYS 276  25.600   1.820  -0.362
  231   2HZ   LYS 276          2HZ       LYS 276  26.431   1.454  -1.798
  232   3HZ   LYS 276          3HZ       LYS 276  26.319   3.063  -1.263
  233   1HN   NH2 277          1HN       NH2 277  27.762   6.657   2.790
  234   2HN   NH2 277          2HN       NH2 277  26.962   7.481   4.053
  Start of MODEL   47
    1   1H    HIS 250          1H        HIS 250  59.364  -5.373   1.867
    2   2H    HIS 250          2H        HIS 250  60.909  -5.658   1.217
    3   3H    HIS 250          3H        HIS 250  60.098  -4.203   0.883
    4    HA   HIS 250           HA       HIS 250  61.721  -4.918   3.133
    5   1HB   HIS 250          1HB       HIS 250  61.092  -2.666   1.442
    6   2HB   HIS 250          2HB       HIS 250  60.971  -2.192   3.137
    7    HD2  HIS 250           HD2      HIS 250  63.444  -3.287   4.619
    8    HE1  HIS 250           HE1      HIS 250  65.831  -2.495   1.228
    9    HE2  HIS 250           HE2      HIS 250  65.879  -3.011   3.714
   10    H    ILE 251           H        ILE 251  61.155  -5.003   5.232
   11    HA   ILE 251           HA       ILE 251  58.324  -4.583   5.901
   12    HB   ILE 251           HB       ILE 251  59.231  -5.668   8.133
   13   1HG1  ILE 251          1HG1      ILE 251  61.101  -7.196   7.724
   14   2HG1  ILE 251          2HG1      ILE 251  61.243  -6.618   6.064
   15   1HG2  ILE 251          1HG2      ILE 251  58.562  -6.910   5.487
   16   2HG2  ILE 251          2HG2      ILE 251  57.632  -6.905   6.984
   17   3HG2  ILE 251          3HG2      ILE 251  59.038  -7.956   6.824
   18   1HD1  ILE 251          1HD1      ILE 251  61.443  -4.723   8.404
   19   2HD1  ILE 251          2HD1      ILE 251  62.010  -4.488   6.750
   20   3HD1  ILE 251          3HD1      ILE 251  62.851  -5.609   7.819
   21    H    ASN 252           H        ASN 252  61.037  -2.779   5.855
   22    HA   ASN 252           HA       ASN 252  60.678  -1.499   8.462
   23   1HB   ASN 252          1HB       ASN 252  62.835  -0.933   8.245
   24   2HB   ASN 252          2HB       ASN 252  62.874  -1.880   6.759
   25   1HD2  ASN 252          1HD2      ASN 252  62.206  -0.649   4.714
   26   2HD2  ASN 252          2HD2      ASN 252  62.571   1.006   4.633
   27    H    GLU 253           H        GLU 253  59.146  -1.343   5.585
   28    HA   GLU 253           HA       GLU 253  59.018   1.491   5.161
   29   1HB   GLU 253          1HB       GLU 253  57.147  -0.682   4.194
   30   2HB   GLU 253          2HB       GLU 253  57.259   0.961   3.559
   31   1HG   GLU 253          1HG       GLU 253  59.888  -0.156   3.580
   32   2HG   GLU 253          2HG       GLU 253  58.807  -1.321   2.816
   33    H    LEU 254           H        LEU 254  58.002  -0.201   7.710
   34    HA   LEU 254           HA       LEU 254  55.328   0.300   8.164
   35   1HB   LEU 254          1HB       LEU 254  57.389   0.742  10.316
   36   2HB   LEU 254          2HB       LEU 254  55.769   0.061  10.467
   37    HG   LEU 254           HG       LEU 254  58.192  -1.213   9.177
   38   1HD1  LEU 254          1HD1      LEU 254  57.420  -1.252  11.768
   39   2HD1  LEU 254          2HD1      LEU 254  58.214  -2.618  10.984
   40   3HD1  LEU 254          3HD1      LEU 254  56.460  -2.597  11.153
   41   1HD2  LEU 254          1HD2      LEU 254  56.443  -1.802   7.694
   42   2HD2  LEU 254          2HD2      LEU 254  55.255  -1.890   8.995
   43   3HD2  LEU 254          3HD2      LEU 254  56.486  -3.143   8.840
   44    H    LEU 255           H        LEU 255  57.728   2.583   7.558
   45    HA   LEU 255           HA       LEU 255  56.365   4.736   9.013
   46   1HB   LEU 255          1HB       LEU 255  58.925   4.719   7.396
   47   2HB   LEU 255          2HB       LEU 255  58.283   6.116   8.262
   48    HG   LEU 255           HG       LEU 255  58.338   3.844  10.030
   49   1HD1  LEU 255          1HD1      LEU 255  60.818   3.567  10.115
   50   2HD1  LEU 255          2HD1      LEU 255  60.948   4.525   8.639
   51   3HD1  LEU 255          3HD1      LEU 255  60.122   2.967   8.610
   52   1HD2  LEU 255          1HD2      LEU 255  59.901   6.447   9.949
   53   2HD2  LEU 255          2HD2      LEU 255  59.758   5.390  11.355
   54   3HD2  LEU 255          3HD2      LEU 255  58.331   6.208  10.718
   55    H    HIS 256           H        HIS 256  57.286   3.779   5.731
   56    HA   HIS 256           HA       HIS 256  55.749   5.976   4.573
   57   1HB   HIS 256          1HB       HIS 256  57.514   3.826   3.398
   58   2HB   HIS 256          2HB       HIS 256  56.600   4.967   2.410
   59    HD2  HIS 256           HD2      HIS 256  58.109   6.455   5.664
   60    HE1  HIS 256           HE1      HIS 256  60.574   7.696   2.470
   61    HE2  HIS 256           HE2      HIS 256  60.081   8.008   4.940
   62    H    ILE 257           H        ILE 257  55.951   2.566   3.589
   63    HA   ILE 257           HA       ILE 257  53.630   2.228   2.277
   64    HB   ILE 257           HB       ILE 257  55.071   0.411   4.176
   65   1HG1  ILE 257          1HG1      ILE 257  55.659   1.082   1.678
   66   2HG1  ILE 257          2HG1      ILE 257  55.871  -0.578   2.231
   67   1HG2  ILE 257          1HG2      ILE 257  52.388  -0.053   2.879
   68   2HG2  ILE 257          2HG2      ILE 257  52.885  -0.396   4.536
   69   3HG2  ILE 257          3HG2      ILE 257  53.479  -1.398   3.214
   70   1HD1  ILE 257          1HD1      ILE 257  54.615  -0.203  -0.005
   71   2HD1  ILE 257          2HD1      ILE 257  53.266   0.323   0.999
   72   3HD1  ILE 257          3HD1      ILE 257  53.899  -1.314   1.162
   73    H    LEU 258           H        LEU 258  53.856   1.749   5.811
   74    HA   LEU 258           HA       LEU 258  51.267   1.249   6.463
   75   1HB   LEU 258          1HB       LEU 258  53.445   1.821   7.919
   76   2HB   LEU 258          2HB       LEU 258  52.570   3.340   8.124
   77    HG   LEU 258           HG       LEU 258  51.481   0.566   8.696
   78   1HD1  LEU 258          1HD1      LEU 258  53.151   1.497  10.335
   79   2HD1  LEU 258          2HD1      LEU 258  51.547   1.240  11.022
   80   3HD1  LEU 258          3HD1      LEU 258  52.068   2.866  10.582
   81   1HD2  LEU 258          1HD2      LEU 258  49.638   2.093   9.764
   82   2HD2  LEU 258          2HD2      LEU 258  49.603   1.802   8.026
   83   3HD2  LEU 258          3HD2      LEU 258  50.255   3.316   8.654
   84    H    VAL 259           H        VAL 259  52.643   4.463   5.817
   85    HA   VAL 259           HA       VAL 259  49.999   5.693   6.022
   86    HB   VAL 259           HB       VAL 259  52.805   6.726   5.727
   87   1HG1  VAL 259          1HG1      VAL 259  50.222   8.113   5.031
   88   2HG1  VAL 259          2HG1      VAL 259  51.755   8.125   4.156
   89   3HG1  VAL 259          3HG1      VAL 259  51.590   9.031   5.661
   90   1HG2  VAL 259          1HG2      VAL 259  50.759   7.875   7.560
   91   2HG2  VAL 259          2HG2      VAL 259  52.468   7.544   7.847
   92   3HG2  VAL 259          3HG2      VAL 259  51.293   6.230   7.908
   93    H    PHE 260           H        PHE 260  52.534   5.162   3.603
   94    HA   PHE 260           HA       PHE 260  51.441   6.467   1.425
   95   1HB   PHE 260          1HB       PHE 260  53.466   4.516   1.884
   96   2HB   PHE 260          2HB       PHE 260  52.492   3.977   0.516
   97    HD1  PHE 260           HD1      PHE 260  53.769   7.253   1.839
   98    HD2  PHE 260           HD2      PHE 260  53.288   4.673  -1.561
   99    HE1  PHE 260           HE1      PHE 260  54.883   8.940   0.402
  100    HE2  PHE 260           HE2      PHE 260  54.401   6.360  -2.998
  101    HZ   PHE 260           HZ       PHE 260  55.198   8.493  -2.017
  102    H    GLY 261           H        GLY 261  50.082   3.943   3.189
  103   1HA   GLY 261          1HA       GLY 261  48.356   3.111   0.937
  104   2HA   GLY 261          2HA       GLY 261  48.660   2.150   2.380
  105    H    GLU 262           H        GLU 262  48.428   4.660   4.056
  106    HA   GLU 262           HA       GLU 262  45.542   4.499   4.397
  107   1HB   GLU 262          1HB       GLU 262  45.862   5.314   6.535
  108   2HB   GLU 262          2HB       GLU 262  47.409   4.520   6.253
  109   1HG   GLU 262          1HG       GLU 262  48.100   6.593   7.053
  110   2HG   GLU 262          2HG       GLU 262  48.126   6.877   5.316
  111    H    SER 263           H        SER 263  47.917   6.715   3.163
  112    HA   SER 263           HA       SER 263  46.440   9.112   3.310
  113   1HB   SER 263          1HB       SER 263  48.611   8.182   1.431
  114   2HB   SER 263          2HB       SER 263  47.917   9.799   1.357
  115    HG   SER 263           HG       SER 263  49.832   9.555   2.706
  116    H    LEU 264           H        LEU 264  46.533   6.530   0.902
  117    HA   LEU 264           HA       LEU 264  44.571   7.944  -0.755
  118   1HB   LEU 264          1HB       LEU 264  44.891   6.065  -2.334
  119   2HB   LEU 264          2HB       LEU 264  46.413   6.852  -1.920
  120    HG   LEU 264           HG       LEU 264  46.208   4.922   0.038
  121   1HD1  LEU 264          1HD1      LEU 264  45.636   2.832  -1.138
  122   2HD1  LEU 264          2HD1      LEU 264  45.213   3.752  -2.581
  123   3HD1  LEU 264          3HD1      LEU 264  44.253   3.927  -1.111
  124   1HD2  LEU 264          1HD2      LEU 264  47.950   3.751  -1.282
  125   2HD2  LEU 264          2HD2      LEU 264  48.213   5.494  -1.278
  126   3HD2  LEU 264          3HD2      LEU 264  47.515   4.711  -2.695
  127    H    LEU 265           H        LEU 265  44.426   6.105   1.939
  128    HA   LEU 265           HA       LEU 265  42.233   4.365   1.176
  129   1HB   LEU 265          1HB       LEU 265  43.915   3.718   2.907
  130   2HB   LEU 265          2HB       LEU 265  43.305   5.015   3.932
  131    HG   LEU 265           HG       LEU 265  41.045   3.970   3.870
  132   1HD1  LEU 265          1HD1      LEU 265  41.285   1.412   3.125
  133   2HD1  LEU 265          2HD1      LEU 265  42.493   2.100   2.040
  134   3HD1  LEU 265          3HD1      LEU 265  40.825   2.668   1.976
  135   1HD2  LEU 265          1HD2      LEU 265  41.990   3.236   5.811
  136   2HD2  LEU 265          2HD2      LEU 265  43.476   2.728   5.009
  137   3HD2  LEU 265          3HD2      LEU 265  42.054   1.685   4.975
  138    H    ASN 266           H        ASN 266  42.686   7.284   3.155
  139    HA   ASN 266           HA       ASN 266  39.996   7.567   3.965
  140   1HB   ASN 266          1HB       ASN 266  40.625   9.630   4.817
  141   2HB   ASN 266          2HB       ASN 266  42.178   8.798   4.750
  142   1HD2  ASN 266          1HD2      ASN 266  43.385   9.144   2.539
  143   2HD2  ASN 266          2HD2      ASN 266  43.303  10.707   1.884
  144    H    ASP 267           H        ASP 267  41.543   8.092   0.948
  145    HA   ASP 267           HA       ASP 267  39.467   9.898  -0.036
  146   1HB   ASP 267          1HB       ASP 267  41.902  10.148  -0.660
  147   2HB   ASP 267          2HB       ASP 267  41.746   8.656  -1.584
  148    H    ALA 268           H        ALA 268  40.502   6.550  -0.322
  149    HA   ALA 268           HA       ALA 268  38.952   5.773  -2.527
  150   1HB   ALA 268          1HB       ALA 268  39.556   4.056  -0.115
  151   2HB   ALA 268          2HB       ALA 268  40.738   4.408  -1.375
  152   3HB   ALA 268          3HB       ALA 268  39.266   3.521  -1.770
  153    H    VAL 269           H        VAL 269  38.078   6.443   0.771
  154    HA   VAL 269           HA       VAL 269  35.603   5.047   0.833
  155    HB   VAL 269           HB       VAL 269  36.237   7.563   2.375
  156   1HG1  VAL 269          1HG1      VAL 269  34.562   6.890   3.796
  157   2HG1  VAL 269          2HG1      VAL 269  34.876   5.176   3.522
  158   3HG1  VAL 269          3HG1      VAL 269  33.969   6.109   2.330
  159   1HG2  VAL 269          1HG2      VAL 269  37.013   5.623   4.058
  160   2HG2  VAL 269          2HG2      VAL 269  38.139   6.379   2.930
  161   3HG2  VAL 269          3HG2      VAL 269  37.411   4.821   2.537
  162    H    THR 270           H        THR 270  36.578   8.205  -0.338
  163    HA   THR 270           HA       THR 270  33.832   9.072  -0.761
  164    HB   THR 270           HB       THR 270  35.684  10.748  -2.125
  165    HG1  THR 270           HG1      THR 270  37.404  10.475  -0.980
  166   1HG2  THR 270          1HG2      THR 270  34.323  11.064   0.564
  167   2HG2  THR 270          2HG2      THR 270  33.574  11.406  -0.995
  168   3HG2  THR 270          3HG2      THR 270  34.945  12.369  -0.445
  169    H    VAL 271           H        VAL 271  36.657   8.217  -2.751
  170    HA   VAL 271           HA       VAL 271  35.738   8.626  -5.281
  171    HB   VAL 271           HB       VAL 271  37.185   6.151  -4.308
  172   1HG1  VAL 271          1HG1      VAL 271  36.559   5.607  -6.486
  173   2HG1  VAL 271          2HG1      VAL 271  38.095   6.428  -6.767
  174   3HG1  VAL 271          3HG1      VAL 271  36.575   7.288  -7.018
  175   1HG2  VAL 271          1HG2      VAL 271  39.096   7.390  -4.255
  176   2HG2  VAL 271          2HG2      VAL 271  38.001   8.764  -4.101
  177   3HG2  VAL 271          3HG2      VAL 271  38.641   8.320  -5.683
  178    H    VAL 272           H        VAL 272  34.645   6.225  -2.996
  179    HA   VAL 272           HA       VAL 272  32.957   4.927  -5.008
  180    HB   VAL 272           HB       VAL 272  33.687   4.286  -2.158
  181   1HG1  VAL 272          1HG1      VAL 272  31.360   3.329  -3.805
  182   2HG1  VAL 272          2HG1      VAL 272  31.419   3.721  -2.086
  183   3HG1  VAL 272          3HG1      VAL 272  32.144   2.224  -2.674
  184   1HG2  VAL 272          1HG2      VAL 272  33.724   2.270  -4.324
  185   2HG2  VAL 272          2HG2      VAL 272  34.934   2.618  -3.090
  186   3HG2  VAL 272          3HG2      VAL 272  34.844   3.614  -4.543
  187    H    LEU 273           H        LEU 273  32.773   7.119  -2.298
  188    HA   LEU 273           HA       LEU 273  29.925   6.903  -1.950
  189   1HB   LEU 273          1HB       LEU 273  31.749   7.744  -0.272
  190   2HB   LEU 273          2HB       LEU 273  31.517   9.293  -1.082
  191    HG   LEU 273           HG       LEU 273  28.944   8.668  -0.714
  192   1HD1  LEU 273          1HD1      LEU 273  29.568   6.476   0.342
  193   2HD1  LEU 273          2HD1      LEU 273  28.595   7.508   1.390
  194   3HD1  LEU 273          3HD1      LEU 273  30.334   7.377   1.651
  195   1HD2  LEU 273          1HD2      LEU 273  30.890   9.871   1.268
  196   2HD2  LEU 273          2HD2      LEU 273  29.144   9.911   1.515
  197   3HD2  LEU 273          3HD2      LEU 273  29.855  10.718   0.118
  198    H    TYR 274           H        TYR 274  32.091   9.320  -3.406
  199    HA   TYR 274           HA       TYR 274  30.387  11.267  -4.222
  200   1HB   TYR 274          1HB       TYR 274  32.874  10.118  -5.280
  201   2HB   TYR 274          2HB       TYR 274  31.893  10.943  -6.492
  202    HD1  TYR 274           HD1      TYR 274  31.437  13.332  -6.342
  203    HD2  TYR 274           HD2      TYR 274  33.756  11.325  -3.334
  204    HE1  TYR 274           HE1      TYR 274  32.180  15.524  -5.451
  205    HE2  TYR 274           HE2      TYR 274  34.499  13.517  -2.444
  206    HH   TYR 274           HH       TYR 274  33.018  16.397  -3.184
  207    H    LYS 275           H        LYS 275  31.107   8.370  -6.177
  208    HA   LYS 275           HA       LYS 275  29.205   8.813  -8.176
  209   1HB   LYS 275          1HB       LYS 275  29.913   6.048  -7.230
  210   2HB   LYS 275          2HB       LYS 275  29.629   6.618  -8.875
  211   1HG   LYS 275          1HG       LYS 275  31.727   8.204  -8.149
  212   2HG   LYS 275          2HG       LYS 275  32.089   6.742  -7.234
  213   1HD   LYS 275          1HD       LYS 275  33.133   6.353  -9.310
  214   2HD   LYS 275          2HD       LYS 275  31.601   5.490  -9.457
  215   1HE   LYS 275          1HE       LYS 275  31.393   6.679 -11.391
  216   2HE   LYS 275          2HE       LYS 275  30.872   7.977 -10.317
  217   1HZ   LYS 275          1HZ       LYS 275  33.231   8.659 -10.165
  218   2HZ   LYS 275          2HZ       LYS 275  32.586   8.803 -11.730
  219   3HZ   LYS 275          3HZ       LYS 275  33.614   7.505 -11.347
  220    H    LYS 276           H        LYS 276  28.886   7.440  -4.969
  221    HA   LYS 276           HA       LYS 276  26.209   6.438  -5.436
  222   1HB   LYS 276          1HB       LYS 276  27.770   6.795  -2.866
  223   2HB   LYS 276          2HB       LYS 276  26.233   5.942  -3.019
  224   1HG   LYS 276          1HG       LYS 276  28.429   5.118  -4.862
  225   2HG   LYS 276          2HG       LYS 276  28.584   4.657  -3.167
  226   1HD   LYS 276          1HD       LYS 276  25.975   4.208  -4.586
  227   2HD   LYS 276          2HD       LYS 276  27.303   3.071  -4.826
  228   1HE   LYS 276          1HE       LYS 276  26.692   3.867  -2.020
  229   2HE   LYS 276          2HE       LYS 276  25.543   2.793  -2.819
  230   1HZ   LYS 276          1HZ       LYS 276  26.963   1.208  -2.166
  231   2HZ   LYS 276          2HZ       LYS 276  28.257   2.289  -1.958
  232   3HZ   LYS 276          3HZ       LYS 276  27.884   1.692  -3.505
  233   1HN   NH2 277          1HN       NH2 277  27.289   9.542  -5.223
  234   2HN   NH2 277          2HN       NH2 277  25.949  10.261  -4.446
  Start of MODEL   48
    1   1H    HIS 250          1H        HIS 250  65.584   3.715   8.463
    2   2H    HIS 250          2H        HIS 250  64.727   2.832   9.635
    3   3H    HIS 250          3H        HIS 250  65.059   4.480   9.883
    4    HA   HIS 250           HA       HIS 250  63.318   3.385   7.741
    5   1HB   HIS 250          1HB       HIS 250  62.596   3.358  10.275
    6   2HB   HIS 250          2HB       HIS 250  62.389   5.093  10.031
    7    HD2  HIS 250           HD2      HIS 250  61.187   4.778   6.872
    8    HE1  HIS 250           HE1      HIS 250  58.098   2.652   8.811
    9    HE2  HIS 250           HE2      HIS 250  58.753   3.853   6.672
   10    H    ILE 251           H        ILE 251  63.215   4.737   6.066
   11    HA   ILE 251           HA       ILE 251  64.550   7.195   5.915
   12    HB   ILE 251           HB       ILE 251  62.215   6.227   4.247
   13   1HG1  ILE 251          1HG1      ILE 251  64.767   6.023   2.965
   14   2HG1  ILE 251          2HG1      ILE 251  64.882   5.239   4.541
   15   1HG2  ILE 251          1HG2      ILE 251  64.245   8.439   3.939
   16   2HG2  ILE 251          2HG2      ILE 251  62.492   8.524   3.764
   17   3HG2  ILE 251          3HG2      ILE 251  63.463   7.716   2.533
   18   1HD1  ILE 251          1HD1      ILE 251  62.746   4.696   2.458
   19   2HD1  ILE 251          2HD1      ILE 251  62.863   3.914   4.034
   20   3HD1  ILE 251          3HD1      ILE 251  64.115   3.645   2.821
   21    H    ASN 252           H        ASN 252  63.559   9.331   5.503
   22    HA   ASN 252           HA       ASN 252  61.856  10.089   7.654
   23   1HB   ASN 252          1HB       ASN 252  61.962  12.040   5.511
   24   2HB   ASN 252          2HB       ASN 252  62.594  12.146   7.152
   25   1HD2  ASN 252          1HD2      ASN 252  64.751  10.917   7.500
   26   2HD2  ASN 252          2HD2      ASN 252  65.856  10.922   6.212
   27    H    GLU 253           H        GLU 253  61.037   8.393   5.023
   28    HA   GLU 253           HA       GLU 253  58.808   9.739   3.941
   29   1HB   GLU 253          1HB       GLU 253  58.122   7.512   3.134
   30   2HB   GLU 253          2HB       GLU 253  59.828   7.822   2.823
   31   1HG   GLU 253          1HG       GLU 253  59.982   5.703   3.739
   32   2HG   GLU 253          2HG       GLU 253  60.120   6.670   5.203
   33    H    LEU 254           H        LEU 254  59.287   8.721   7.047
   34    HA   LEU 254           HA       LEU 254  57.031   7.419   7.913
   35   1HB   LEU 254          1HB       LEU 254  58.952   9.294   9.092
   36   2HB   LEU 254          2HB       LEU 254  57.366   9.359   9.857
   37    HG   LEU 254           HG       LEU 254  58.913   7.682  10.901
   38   1HD1  LEU 254          1HD1      LEU 254  57.011   6.642  11.492
   39   2HD1  LEU 254          2HD1      LEU 254  56.987   5.787   9.950
   40   3HD1  LEU 254          3HD1      LEU 254  56.195   7.355  10.101
   41   1HD2  LEU 254          1HD2      LEU 254  59.575   7.088   8.293
   42   2HD2  LEU 254          2HD2      LEU 254  58.514   5.746   8.721
   43   3HD2  LEU 254          3HD2      LEU 254  59.954   6.074   9.684
   44    H    LEU 255           H        LEU 255  57.216  10.454   6.394
   45    HA   LEU 255           HA       LEU 255  54.497  11.194   7.275
   46   1HB   LEU 255          1HB       LEU 255  56.618  12.875   5.923
   47   2HB   LEU 255          2HB       LEU 255  55.038  13.443   6.461
   48    HG   LEU 255           HG       LEU 255  55.931  12.299   8.754
   49   1HD1  LEU 255          1HD1      LEU 255  58.117  11.738   7.740
   50   2HD1  LEU 255          2HD1      LEU 255  58.301  12.909   9.045
   51   3HD1  LEU 255          3HD1      LEU 255  58.376  13.441   7.365
   52   1HD2  LEU 255          1HD2      LEU 255  56.337  15.092   7.665
   53   2HD2  LEU 255          2HD2      LEU 255  56.711  14.677   9.337
   54   3HD2  LEU 255          3HD2      LEU 255  55.061  14.519   8.737
   55    H    HIS 256           H        HIS 256  56.559  11.236   4.367
   56    HA   HIS 256           HA       HIS 256  54.558  11.734   2.490
   57   1HB   HIS 256          1HB       HIS 256  57.139  10.187   2.175
   58   2HB   HIS 256          2HB       HIS 256  56.142  10.768   0.840
   59    HD2  HIS 256           HD2      HIS 256  58.910  12.069   3.153
   60    HE1  HIS 256           HE1      HIS 256  57.238  15.466   1.285
   61    HE2  HIS 256           HE2      HIS 256  59.171  14.629   2.704
   62    H    ILE 257           H        ILE 257  56.175   8.613   2.280
   63    HA   ILE 257           HA       ILE 257  54.163   7.219   1.084
   64    HB   ILE 257           HB       ILE 257  56.183   6.224   3.094
   65   1HG1  ILE 257          1HG1      ILE 257  56.107   5.995   0.071
   66   2HG1  ILE 257          2HG1      ILE 257  56.965   7.279   0.923
   67   1HG2  ILE 257          1HG2      ILE 257  54.498   4.550   3.065
   68   2HG2  ILE 257          2HG2      ILE 257  55.688   3.995   1.890
   69   3HG2  ILE 257          3HG2      ILE 257  54.201   4.766   1.340
   70   1HD1  ILE 257          1HD1      ILE 257  58.663   5.900   1.524
   71   2HD1  ILE 257          2HD1      ILE 257  58.046   4.833   0.264
   72   3HD1  ILE 257          3HD1      ILE 257  57.563   4.587   1.941
   73    H    LEU 258           H        LEU 258  54.749   7.317   4.599
   74    HA   LEU 258           HA       LEU 258  52.756   5.769   5.583
   75   1HB   LEU 258          1HB       LEU 258  54.099   8.215   6.485
   76   2HB   LEU 258          2HB       LEU 258  52.520   7.964   7.222
   77    HG   LEU 258           HG       LEU 258  54.417   6.907   8.497
   78   1HD1  LEU 258          1HD1      LEU 258  52.811   5.525   9.243
   79   2HD1  LEU 258          2HD1      LEU 258  53.066   4.470   7.853
   80   3HD1  LEU 258          3HD1      LEU 258  51.895   5.786   7.759
   81   1HD2  LEU 258          1HD2      LEU 258  55.846   5.418   7.535
   82   2HD2  LEU 258          2HD2      LEU 258  55.322   6.159   6.023
   83   3HD2  LEU 258          3HD2      LEU 258  54.569   4.665   6.581
   84    H    VAL 259           H        VAL 259  52.140   9.266   5.448
   85    HA   VAL 259           HA       VAL 259  49.387   9.162   5.579
   86    HB   VAL 259           HB       VAL 259  51.187  11.147   4.183
   87   1HG1  VAL 259          1HG1      VAL 259  49.226  11.732   3.142
   88   2HG1  VAL 259          2HG1      VAL 259  48.933  12.543   4.681
   89   3HG1  VAL 259          3HG1      VAL 259  48.222  10.959   4.368
   90   1HG2  VAL 259          1HG2      VAL 259  49.721  11.132   6.841
   91   2HG2  VAL 259          2HG2      VAL 259  50.632  12.501   6.205
   92   3HG2  VAL 259          3HG2      VAL 259  51.464  10.999   6.611
   93    H    PHE 260           H        PHE 260  51.310   9.485   2.584
   94    HA   PHE 260           HA       PHE 260  49.328   9.380   0.700
   95   1HB   PHE 260          1HB       PHE 260  52.140   8.364   0.755
   96   2HB   PHE 260          2HB       PHE 260  51.114   7.941  -0.617
   97    HD1  PHE 260           HD1      PHE 260  51.559  11.004   1.513
   98    HD2  PHE 260           HD2      PHE 260  51.460   9.345  -2.448
   99    HE1  PHE 260           HE1      PHE 260  51.914  13.264   0.557
  100    HE2  PHE 260           HE2      PHE 260  51.815  11.604  -3.403
  101    HZ   PHE 260           HZ       PHE 260  52.041  13.564  -1.901
  102    H    GLY 261           H        GLY 261  50.704   6.676   2.512
  103   1HA   GLY 261          1HA       GLY 261  49.203   4.673   1.083
  104   2HA   GLY 261          2HA       GLY 261  50.154   4.424   2.544
  105    H    GLU 262           H        GLU 262  48.723   6.661   3.909
  106    HA   GLU 262           HA       GLU 262  46.506   5.073   4.907
  107   1HB   GLU 262          1HB       GLU 262  47.465   7.820   5.740
  108   2HB   GLU 262          2HB       GLU 262  46.314   6.810   6.614
  109   1HG   GLU 262          1HG       GLU 262  48.529   5.150   6.164
  110   2HG   GLU 262          2HG       GLU 262  49.215   6.706   6.626
  111    H    SER 263           H        SER 263  47.008   8.018   3.045
  112    HA   SER 263           HA       SER 263  44.240   8.797   3.074
  113   1HB   SER 263          1HB       SER 263  44.987  10.355   1.231
  114   2HB   SER 263          2HB       SER 263  45.859  10.528   2.751
  115    HG   SER 263           HG       SER 263  46.911  10.129   0.433
  116    H    LEU 264           H        LEU 264  46.083   6.502   1.348
  117    HA   LEU 264           HA       LEU 264  44.749   6.481  -1.139
  118   1HB   LEU 264          1HB       LEU 264  46.746   4.950   0.153
  119   2HB   LEU 264          2HB       LEU 264  45.488   3.818  -0.341
  120    HG   LEU 264           HG       LEU 264  46.801   5.876  -2.143
  121   1HD1  LEU 264          1HD1      LEU 264  48.199   3.873  -1.401
  122   2HD1  LEU 264          2HD1      LEU 264  47.983   4.053  -3.142
  123   3HD1  LEU 264          3HD1      LEU 264  47.033   2.861  -2.253
  124   1HD2  LEU 264          1HD2      LEU 264  45.557   4.019  -3.740
  125   2HD2  LEU 264          2HD2      LEU 264  44.862   5.579  -3.304
  126   3HD2  LEU 264          3HD2      LEU 264  44.428   4.135  -2.392
  127    H    LEU 265           H        LEU 265  43.832   5.364   2.012
  128    HA   LEU 265           HA       LEU 265  41.639   3.733   0.974
  129   1HB   LEU 265          1HB       LEU 265  42.363   4.386   3.841
  130   2HB   LEU 265          2HB       LEU 265  41.233   3.146   3.297
  131    HG   LEU 265           HG       LEU 265  43.718   2.769   1.922
  132   1HD1  LEU 265          1HD1      LEU 265  45.198   2.321   3.831
  133   2HD1  LEU 265          2HD1      LEU 265  43.951   2.880   4.947
  134   3HD1  LEU 265          3HD1      LEU 265  44.707   4.015   3.829
  135   1HD2  LEU 265          1HD2      LEU 265  42.402   1.167   4.140
  136   2HD2  LEU 265          2HD2      LEU 265  43.569   0.558   2.967
  137   3HD2  LEU 265          3HD2      LEU 265  41.967   1.067   2.435
  138    H    ASN 266           H        ASN 266  42.171   6.717   2.802
  139    HA   ASN 266           HA       ASN 266  39.391   7.309   3.134
  140   1HB   ASN 266          1HB       ASN 266  41.934   8.882   3.462
  141   2HB   ASN 266          2HB       ASN 266  40.358   9.656   3.616
  142   1HD2  ASN 266          1HD2      ASN 266  42.710   7.806   5.301
  143   2HD2  ASN 266          2HD2      ASN 266  41.770   7.439   6.665
  144    H    ASP 267           H        ASP 267  41.721   7.785   0.620
  145    HA   ASP 267           HA       ASP 267  40.530   9.967  -0.730
  146   1HB   ASP 267          1HB       ASP 267  42.626   9.558  -1.571
  147   2HB   ASP 267          2HB       ASP 267  42.456   7.808  -1.437
  148    H    ALA 268           H        ALA 268  39.733   6.593  -0.540
  149    HA   ALA 268           HA       ALA 268  37.899   6.749  -2.817
  150   1HB   ALA 268          1HB       ALA 268  39.159   4.599  -1.242
  151   2HB   ALA 268          2HB       ALA 268  38.692   4.630  -2.944
  152   3HB   ALA 268          3HB       ALA 268  37.484   4.290  -1.704
  153    H    VAL 269           H        VAL 269  37.842   6.234   0.691
  154    HA   VAL 269           HA       VAL 269  35.199   5.738   1.180
  155    HB   VAL 269           HB       VAL 269  37.096   7.544   2.692
  156   1HG1  VAL 269          1HG1      VAL 269  34.929   8.198   3.427
  157   2HG1  VAL 269          2HG1      VAL 269  35.472   7.010   4.612
  158   3HG1  VAL 269          3HG1      VAL 269  34.323   6.543   3.358
  159   1HG2  VAL 269          1HG2      VAL 269  37.832   5.644   3.722
  160   2HG2  VAL 269          2HG2      VAL 269  37.203   4.843   2.281
  161   3HG2  VAL 269          3HG2      VAL 269  36.224   4.920   3.746
  162    H    THR 270           H        THR 270  36.681   8.848   0.391
  163    HA   THR 270           HA       THR 270  34.409  10.469   0.840
  164    HB   THR 270           HB       THR 270  36.683  11.383   0.573
  165    HG1  THR 270           HG1      THR 270  34.475  12.198  -0.820
  166   1HG2  THR 270          1HG2      THR 270  37.982  10.921  -1.213
  167   2HG2  THR 270          2HG2      THR 270  36.685  11.300  -2.345
  168   3HG2  THR 270          3HG2      THR 270  36.787   9.692  -1.628
  169    H    VAL 271           H        VAL 271  35.347   8.394  -1.797
  170    HA   VAL 271           HA       VAL 271  33.241   9.457  -3.533
  171    HB   VAL 271           HB       VAL 271  35.268   7.259  -4.007
  172   1HG1  VAL 271          1HG1      VAL 271  34.586   7.666  -6.413
  173   2HG1  VAL 271          2HG1      VAL 271  33.239   8.623  -5.796
  174   3HG1  VAL 271          3HG1      VAL 271  33.347   6.904  -5.416
  175   1HG2  VAL 271          1HG2      VAL 271  36.716   8.929  -4.441
  176   2HG2  VAL 271          2HG2      VAL 271  35.487  10.119  -4.007
  177   3HG2  VAL 271          3HG2      VAL 271  35.615   9.550  -5.672
  178    H    VAL 272           H        VAL 272  33.931   6.768  -1.438
  179    HA   VAL 272           HA       VAL 272  31.647   5.232  -2.426
  180    HB   VAL 272           HB       VAL 272  33.639   4.652  -0.222
  181   1HG1  VAL 272          1HG1      VAL 272  32.537   2.265  -0.930
  182   2HG1  VAL 272          2HG1      VAL 272  31.147   3.333  -1.128
  183   3HG1  VAL 272          3HG1      VAL 272  31.971   3.237   0.428
  184   1HG2  VAL 272          1HG2      VAL 272  34.562   4.682  -2.542
  185   2HG2  VAL 272          2HG2      VAL 272  33.348   3.491  -3.011
  186   3HG2  VAL 272          3HG2      VAL 272  34.586   3.069  -1.828
  187    H    LEU 273           H        LEU 273  32.389   7.541  -0.012
  188    HA   LEU 273           HA       LEU 273  30.182   6.745   1.732
  189   1HB   LEU 273          1HB       LEU 273  32.298   7.548   2.727
  190   2HB   LEU 273          2HB       LEU 273  32.078   9.098   1.918
  191    HG   LEU 273           HG       LEU 273  29.650   8.506   3.295
  192   1HD1  LEU 273          1HD1      LEU 273  30.515   8.397   5.621
  193   2HD1  LEU 273          2HD1      LEU 273  32.151   8.212   4.987
  194   3HD1  LEU 273          3HD1      LEU 273  30.945   6.960   4.693
  195   1HD2  LEU 273          1HD2      LEU 273  31.901  10.473   3.817
  196   2HD2  LEU 273          2HD2      LEU 273  30.300  10.569   4.549
  197   3HD2  LEU 273          3HD2      LEU 273  30.484  10.749   2.804
  198    H    TYR 274           H        TYR 274  31.055   9.303  -0.539
  199    HA   TYR 274           HA       TYR 274  28.646  10.811  -0.042
  200   1HB   TYR 274          1HB       TYR 274  30.914  11.015  -2.004
  201   2HB   TYR 274          2HB       TYR 274  29.462  11.996  -2.204
  202    HD1  TYR 274           HD1      TYR 274  29.439  14.096  -1.183
  203    HD2  TYR 274           HD2      TYR 274  31.831  10.962   0.521
  204    HE1  TYR 274           HE1      TYR 274  30.271  15.670   0.541
  205    HE2  TYR 274           HE2      TYR 274  32.663  12.536   2.246
  206    HH   TYR 274           HH       TYR 274  31.394  15.032   3.222
  207    H    LYS 275           H        LYS 275  29.897   8.964  -2.830
  208    HA   LYS 275           HA       LYS 275  27.638   9.136  -4.451
  209   1HB   LYS 275          1HB       LYS 275  29.550   6.800  -4.218
  210   2HB   LYS 275          2HB       LYS 275  28.502   7.143  -5.591
  211   1HG   LYS 275          1HG       LYS 275  30.509   9.180  -4.607
  212   2HG   LYS 275          2HG       LYS 275  30.978   7.913  -5.735
  213   1HD   LYS 275          1HD       LYS 275  30.030   9.000  -7.467
  214   2HD   LYS 275          2HD       LYS 275  28.512   9.205  -6.596
  215   1HE   LYS 275          1HE       LYS 275  29.344  11.178  -5.472
  216   2HE   LYS 275          2HE       LYS 275  30.960  10.927  -6.135
  217   1HZ   LYS 275          1HZ       LYS 275  29.922  12.546  -7.473
  218   2HZ   LYS 275          2HZ       LYS 275  28.488  11.645  -7.602
  219   3HZ   LYS 275          3HZ       LYS 275  29.902  11.114  -8.382
  220    H    LYS 276           H        LYS 276  27.934   7.639  -1.451
  221    HA   LYS 276           HA       LYS 276  26.141   5.437  -1.855
  222   1HB   LYS 276          1HB       LYS 276  27.669   6.583   0.340
  223   2HB   LYS 276          2HB       LYS 276  26.055   6.088   0.851
  224   1HG   LYS 276          1HG       LYS 276  26.400   3.851  -0.034
  225   2HG   LYS 276          2HG       LYS 276  27.951   4.326  -0.730
  226   1HD   LYS 276          1HD       LYS 276  28.776   4.845   1.571
  227   2HD   LYS 276          2HD       LYS 276  27.255   4.231   2.220
  228   1HE   LYS 276          1HE       LYS 276  29.025   2.576   0.411
  229   2HE   LYS 276          2HE       LYS 276  29.199   2.569   2.166
  230   1HZ   LYS 276          1HZ       LYS 276  27.671   0.843   1.054
  231   2HZ   LYS 276          2HZ       LYS 276  26.561   2.123   0.935
  232   3HZ   LYS 276          3HZ       LYS 276  27.131   1.627   2.457
  233   1HN   NH2 277          1HN       NH2 277  25.671   8.854  -1.284
  234   2HN   NH2 277          2HN       NH2 277  23.982   8.773  -1.041
  Start of MODEL   49
    1   1H    HIS 250          1H        HIS 250  35.948  -6.471  -3.693
    2   2H    HIS 250          2H        HIS 250  34.924  -5.235  -3.134
    3   3H    HIS 250          3H        HIS 250  34.265  -6.666  -3.771
    4    HA   HIS 250           HA       HIS 250  34.038  -7.013  -1.520
    5   1HB   HIS 250          1HB       HIS 250  35.613  -8.674  -2.883
    6   2HB   HIS 250          2HB       HIS 250  36.820  -8.090  -1.736
    7    HD2  HIS 250           HD2      HIS 250  33.102  -9.510  -1.331
    8    HE1  HIS 250           HE1      HIS 250  35.490 -10.874   1.871
    9    HE2  HIS 250           HE2      HIS 250  33.170 -10.956   0.842
   10    H    ILE 251           H        ILE 251  36.424  -7.509   0.182
   11    HA   ILE 251           HA       ILE 251  36.531  -4.966   1.469
   12    HB   ILE 251           HB       ILE 251  38.104  -6.057   2.998
   13   1HG1  ILE 251          1HG1      ILE 251  38.294  -7.933   0.688
   14   2HG1  ILE 251          2HG1      ILE 251  39.534  -7.440   1.837
   15   1HG2  ILE 251          1HG2      ILE 251  36.561  -7.665   3.856
   16   2HG2  ILE 251          2HG2      ILE 251  35.929  -8.025   2.248
   17   3HG2  ILE 251          3HG2      ILE 251  35.575  -6.476   3.009
   18   1HD1  ILE 251          1HD1      ILE 251  39.116  -9.726   2.323
   19   2HD1  ILE 251          2HD1      ILE 251  37.372  -9.514   2.205
   20   3HD1  ILE 251          3HD1      ILE 251  38.253  -8.832   3.573
   21    H    ASN 252           H        ASN 252  37.348  -4.530  -1.121
   22    HA   ASN 252           HA       ASN 252  39.953  -4.658  -1.878
   23   1HB   ASN 252          1HB       ASN 252  38.641  -1.983  -2.074
   24   2HB   ASN 252          2HB       ASN 252  39.538  -2.886  -3.293
   25   1HD2  ASN 252          1HD2      ASN 252  36.367  -2.255  -2.027
   26   2HD2  ASN 252          2HD2      ASN 252  35.530  -3.345  -3.021
   27    H    GLU 253           H        GLU 253  38.628  -2.674   0.695
   28    HA   GLU 253           HA       GLU 253  40.686  -0.891   1.160
   29   1HB   GLU 253          1HB       GLU 253  40.039  -1.496   3.699
   30   2HB   GLU 253          2HB       GLU 253  39.005  -0.513   2.661
   31   1HG   GLU 253          1HG       GLU 253  37.520  -2.269   2.250
   32   2HG   GLU 253          2HG       GLU 253  38.719  -3.504   2.631
   33    H    LEU 254           H        LEU 254  40.369  -4.206   2.419
   34    HA   LEU 254           HA       LEU 254  43.203  -4.155   3.201
   35   1HB   LEU 254          1HB       LEU 254  41.184  -6.317   3.804
   36   2HB   LEU 254          2HB       LEU 254  42.726  -6.016   4.607
   37    HG   LEU 254           HG       LEU 254  40.310  -4.184   4.649
   38   1HD1  LEU 254          1HD1      LEU 254  41.562  -5.392   7.080
   39   2HD1  LEU 254          2HD1      LEU 254  40.546  -6.427   6.076
   40   3HD1  LEU 254          3HD1      LEU 254  39.879  -4.956   6.785
   41   1HD2  LEU 254          1HD2      LEU 254  41.876  -3.130   6.501
   42   2HD2  LEU 254          2HD2      LEU 254  42.099  -2.699   4.806
   43   3HD2  LEU 254          3HD2      LEU 254  43.155  -3.894   5.558
   44    H    LEU 255           H        LEU 255  41.459  -4.934   0.521
   45    HA   LEU 255           HA       LEU 255  42.999  -7.365  -0.083
   46   1HB   LEU 255          1HB       LEU 255  40.349  -6.588  -0.637
   47   2HB   LEU 255          2HB       LEU 255  41.188  -6.619  -2.187
   48    HG   LEU 255           HG       LEU 255  41.201  -8.864  -0.150
   49   1HD1  LEU 255          1HD1      LEU 255  40.073  -9.584  -2.673
   50   2HD1  LEU 255          2HD1      LEU 255  39.275  -8.109  -2.125
   51   3HD1  LEU 255          3HD1      LEU 255  39.279  -9.543  -1.099
   52   1HD2  LEU 255          1HD2      LEU 255  41.979  -9.697  -2.749
   53   2HD2  LEU 255          2HD2      LEU 255  42.986  -9.615  -1.305
   54   3HD2  LEU 255          3HD2      LEU 255  42.895  -8.233  -2.395
   55    H    HIS 256           H        HIS 256  41.896  -4.731  -2.228
   56    HA   HIS 256           HA       HIS 256  44.464  -4.869  -3.622
   57   1HB   HIS 256          1HB       HIS 256  42.039  -3.210  -4.319
   58   2HB   HIS 256          2HB       HIS 256  43.403  -3.601  -5.365
   59    HD2  HIS 256           HD2      HIS 256  40.078  -5.204  -4.146
   60    HE1  HIS 256           HE1      HIS 256  42.038  -8.055  -6.566
   61    HE2  HIS 256           HE2      HIS 256  39.872  -7.510  -5.360
   62    H    ILE 257           H        ILE 257  42.361  -2.209  -2.487
   63    HA   ILE 257           HA       ILE 257  44.056  -0.096  -2.775
   64    HB   ILE 257           HB       ILE 257  41.888  -0.727  -0.828
   65   1HG1  ILE 257          1HG1      ILE 257  40.891   1.248  -1.880
   66   2HG1  ILE 257          2HG1      ILE 257  42.395   1.567  -2.743
   67   1HG2  ILE 257          1HG2      ILE 257  42.177   1.608   0.122
   68   2HG2  ILE 257          2HG2      ILE 257  43.792   1.617  -0.574
   69   3HG2  ILE 257          3HG2      ILE 257  43.373   0.438   0.672
   70   1HD1  ILE 257          1HD1      ILE 257  41.009  -1.090  -3.021
   71   2HD1  ILE 257          2HD1      ILE 257  42.152  -0.321  -4.122
   72   3HD1  ILE 257          3HD1      ILE 257  40.503   0.290  -3.994
   73    H    LEU 258           H        LEU 258  44.571  -2.789  -0.784
   74    HA   LEU 258           HA       LEU 258  45.904  -2.073   1.440
   75   1HB   LEU 258          1HB       LEU 258  46.212  -4.227  -0.526
   76   2HB   LEU 258          2HB       LEU 258  47.678  -3.900   0.396
   77    HG   LEU 258           HG       LEU 258  44.951  -4.314   1.648
   78   1HD1  LEU 258          1HD1      LEU 258  47.234  -6.231   1.128
   79   2HD1  LEU 258          2HD1      LEU 258  45.552  -6.399   0.632
   80   3HD1  LEU 258          3HD1      LEU 258  45.989  -6.543   2.335
   81   1HD2  LEU 258          1HD2      LEU 258  47.173  -4.930   3.348
   82   2HD2  LEU 258          2HD2      LEU 258  45.976  -3.651   3.547
   83   3HD2  LEU 258          3HD2      LEU 258  47.457  -3.339   2.642
   84    H    VAL 259           H        VAL 259  47.169  -1.750  -1.857
   85    HA   VAL 259           HA       VAL 259  49.789  -1.184  -1.541
   86    HB   VAL 259           HB       VAL 259  49.118   0.882  -3.205
   87   1HG1  VAL 259          1HG1      VAL 259  50.623  -0.981  -3.727
   88   2HG1  VAL 259          2HG1      VAL 259  49.436  -0.785  -5.017
   89   3HG1  VAL 259          3HG1      VAL 259  49.249  -2.082  -3.836
   90   1HG2  VAL 259          1HG2      VAL 259  46.671   0.208  -2.712
   91   2HG2  VAL 259          2HG2      VAL 259  47.009  -1.228  -3.680
   92   3HG2  VAL 259          3HG2      VAL 259  47.139   0.373  -4.403
   93    H    PHE 260           H        PHE 260  47.707   1.675  -1.777
   94    HA   PHE 260           HA       PHE 260  49.480   3.082   0.052
   95   1HB   PHE 260          1HB       PHE 260  47.647   4.933  -0.484
   96   2HB   PHE 260          2HB       PHE 260  48.926   4.540  -1.633
   97    HD1  PHE 260           HD1      PHE 260  48.467   3.189  -3.629
   98    HD2  PHE 260           HD2      PHE 260  45.348   4.213  -0.858
   99    HE1  PHE 260           HE1      PHE 260  46.761   2.521  -5.301
  100    HE2  PHE 260           HE2      PHE 260  43.643   3.544  -2.530
  101    HZ   PHE 260           HZ       PHE 260  44.350   2.698  -4.751
  102    H    GLY 261           H        GLY 261  45.952   2.578  -0.168
  103   1HA   GLY 261          1HA       GLY 261  44.321   2.721   1.470
  104   2HA   GLY 261          2HA       GLY 261  45.407   1.630   2.324
  105    H    GLU 262           H        GLU 262  46.820   2.454   3.894
  106    HA   GLU 262           HA       GLU 262  45.952   4.313   5.659
  107   1HB   GLU 262          1HB       GLU 262  48.376   4.633   6.315
  108   2HB   GLU 262          2HB       GLU 262  47.834   2.957   6.233
  109   1HG   GLU 262          1HG       GLU 262  48.964   2.554   4.217
  110   2HG   GLU 262          2HG       GLU 262  49.066   4.268   3.823
  111    H    SER 263           H        SER 263  47.331   4.977   2.558
  112    HA   SER 263           HA       SER 263  47.908   7.762   3.183
  113   1HB   SER 263          1HB       SER 263  48.830   5.952   1.266
  114   2HB   SER 263          2HB       SER 263  47.871   7.116   0.355
  115    HG   SER 263           HG       SER 263  49.078   8.768   1.435
  116    H    LEU 264           H        LEU 264  45.968   6.278   0.581
  117    HA   LEU 264           HA       LEU 264  44.303   8.629   0.392
  118   1HB   LEU 264          1HB       LEU 264  43.794   5.967  -0.934
  119   2HB   LEU 264          2HB       LEU 264  43.296   7.571  -1.475
  120    HG   LEU 264           HG       LEU 264  46.132   6.508  -1.342
  121   1HD1  LEU 264          1HD1      LEU 264  44.856   7.613  -3.805
  122   2HD1  LEU 264          2HD1      LEU 264  44.344   6.012  -3.272
  123   3HD1  LEU 264          3HD1      LEU 264  46.041   6.317  -3.639
  124   1HD2  LEU 264          1HD2      LEU 264  46.524   8.793  -2.545
  125   2HD2  LEU 264          2HD2      LEU 264  46.360   8.785  -0.789
  126   3HD2  LEU 264          3HD2      LEU 264  44.997   9.262  -1.800
  127    H    LEU 265           H        LEU 265  44.377   6.414   2.699
  128    HA   LEU 265           HA       LEU 265  42.061   5.100   3.084
  129   1HB   LEU 265          1HB       LEU 265  44.043   5.689   4.737
  130   2HB   LEU 265          2HB       LEU 265  42.893   6.889   5.326
  131    HG   LEU 265           HG       LEU 265  41.223   4.824   5.256
  132   1HD1  LEU 265          1HD1      LEU 265  43.792   3.406   5.946
  133   2HD1  LEU 265          2HD1      LEU 265  43.202   3.437   4.284
  134   3HD1  LEU 265          3HD1      LEU 265  42.219   2.712   5.556
  135   1HD2  LEU 265          1HD2      LEU 265  41.789   6.100   7.271
  136   2HD2  LEU 265          2HD2      LEU 265  43.339   5.265   7.390
  137   3HD2  LEU 265          3HD2      LEU 265  41.835   4.375   7.632
  138    H    ASN 266           H        ASN 266  42.381   8.552   2.851
  139    HA   ASN 266           HA       ASN 266  39.675   9.032   3.841
  140   1HB   ASN 266          1HB       ASN 266  41.637  10.996   2.642
  141   2HB   ASN 266          2HB       ASN 266  40.191  11.375   3.577
  142   1HD2  ASN 266          1HD2      ASN 266  43.394   9.779   3.854
  143   2HD2  ASN 266          2HD2      ASN 266  43.538  10.023   5.528
  144    H    ASP 267           H        ASP 267  41.512   9.410   0.813
  145    HA   ASP 267           HA       ASP 267  39.078  10.031  -0.664
  146   1HB   ASP 267          1HB       ASP 267  42.002   9.914  -1.346
  147   2HB   ASP 267          2HB       ASP 267  40.786   9.969  -2.621
  148    H    ALA 268           H        ALA 268  40.286   7.266   0.516
  149    HA   ALA 268           HA       ALA 268  40.079   5.586  -1.838
  150   1HB   ALA 268          1HB       ALA 268  40.525   5.049   1.094
  151   2HB   ALA 268          2HB       ALA 268  41.650   4.824  -0.246
  152   3HB   ALA 268          3HB       ALA 268  40.268   3.744  -0.063
  153    H    VAL 269           H        VAL 269  38.173   6.188   1.099
  154    HA   VAL 269           HA       VAL 269  36.191   4.340   0.952
  155    HB   VAL 269           HB       VAL 269  35.650   7.283   1.393
  156   1HG1  VAL 269          1HG1      VAL 269  34.349   4.734   2.401
  157   2HG1  VAL 269          2HG1      VAL 269  33.641   5.904   1.287
  158   3HG1  VAL 269          3HG1      VAL 269  33.941   6.355   2.966
  159   1HG2  VAL 269          1HG2      VAL 269  37.047   5.207   3.049
  160   2HG2  VAL 269          2HG2      VAL 269  36.045   6.409   3.862
  161   3HG2  VAL 269          3HG2      VAL 269  37.412   6.924   2.872
  162    H    THR 270           H        THR 270  36.122   7.449  -0.807
  163    HA   THR 270           HA       THR 270  33.769   7.108  -2.215
  164    HB   THR 270           HB       THR 270  34.926   9.208  -2.321
  165    HG1  THR 270           HG1      THR 270  34.532   7.760  -4.658
  166   1HG2  THR 270          1HG2      THR 270  37.080   9.012  -3.970
  167   2HG2  THR 270          2HG2      THR 270  37.179   7.467  -3.126
  168   3HG2  THR 270          3HG2      THR 270  37.191   8.973  -2.211
  169    H    VAL 271           H        VAL 271  36.506   5.167  -2.384
  170    HA   VAL 271           HA       VAL 271  35.811   4.201  -5.091
  171    HB   VAL 271           HB       VAL 271  38.342   3.568  -3.578
  172   1HG1  VAL 271          1HG1      VAL 271  37.802   2.130  -5.490
  173   2HG1  VAL 271          2HG1      VAL 271  39.175   3.164  -5.882
  174   3HG1  VAL 271          3HG1      VAL 271  37.574   3.549  -6.512
  175   1HG2  VAL 271          1HG2      VAL 271  38.732   5.820  -3.742
  176   2HG2  VAL 271          2HG2      VAL 271  37.516   6.041  -4.999
  177   3HG2  VAL 271          3HG2      VAL 271  39.109   5.412  -5.415
  178    H    VAL 272           H        VAL 272  37.121   2.881  -2.038
  179    HA   VAL 272           HA       VAL 272  36.304   0.232  -2.532
  180    HB   VAL 272           HB       VAL 272  36.787   1.594   0.129
  181   1HG1  VAL 272          1HG1      VAL 272  36.073  -1.130  -0.645
  182   2HG1  VAL 272          2HG1      VAL 272  36.139  -0.405   0.960
  183   3HG1  VAL 272          3HG1      VAL 272  37.600  -1.071   0.233
  184   1HG2  VAL 272          1HG2      VAL 272  38.968  -0.017  -0.620
  185   2HG2  VAL 272          2HG2      VAL 272  38.922   1.746  -0.583
  186   3HG2  VAL 272          3HG2      VAL 272  38.539   0.884  -2.073
  187    H    LEU 273           H        LEU 273  34.543   2.994  -1.459
  188    HA   LEU 273           HA       LEU 273  32.377   1.400  -0.315
  189   1HB   LEU 273          1HB       LEU 273  33.108   3.619   0.656
  190   2HB   LEU 273          2HB       LEU 273  32.451   4.387  -0.788
  191    HG   LEU 273           HG       LEU 273  30.309   2.930  -0.155
  192   1HD1  LEU 273          1HD1      LEU 273  31.807   2.083   1.865
  193   2HD1  LEU 273          2HD1      LEU 273  30.082   2.381   2.087
  194   3HD1  LEU 273          3HD1      LEU 273  31.261   3.586   2.608
  195   1HD2  LEU 273          1HD2      LEU 273  29.466   4.904   1.085
  196   2HD2  LEU 273          2HD2      LEU 273  30.374   5.383  -0.349
  197   3HD2  LEU 273          3HD2      LEU 273  31.119   5.498   1.247
  198    H    TYR 274           H        TYR 274  33.185   3.179  -3.214
  199    HA   TYR 274           HA       TYR 274  30.492   2.940  -4.299
  200   1HB   TYR 274          1HB       TYR 274  33.065   4.169  -5.246
  201   2HB   TYR 274          2HB       TYR 274  31.712   3.941  -6.353
  202    HD1  TYR 274           HD1      TYR 274  32.472   5.294  -2.941
  203    HD2  TYR 274           HD2      TYR 274  30.049   5.585  -6.474
  204    HE1  TYR 274           HE1      TYR 274  31.381   7.326  -2.026
  205    HE2  TYR 274           HE2      TYR 274  28.958   7.616  -5.561
  206    HH   TYR 274           HH       TYR 274  29.844   8.887  -2.346
  207    H    LYS 275           H        LYS 275  33.761   1.915  -5.304
  208    HA   LYS 275           HA       LYS 275  32.812   0.126  -7.311
  209   1HB   LYS 275          1HB       LYS 275  35.502  -0.039  -5.965
  210   2HB   LYS 275          2HB       LYS 275  35.077  -0.459  -7.626
  211   1HG   LYS 275          1HG       LYS 275  34.300   2.152  -7.561
  212   2HG   LYS 275          2HG       LYS 275  35.661   2.195  -6.442
  213   1HD   LYS 275          1HD       LYS 275  36.687   2.568  -8.522
  214   2HD   LYS 275          2HD       LYS 275  36.913   0.836  -8.281
  215   1HE   LYS 275          1HE       LYS 275  34.486   0.829  -9.494
  216   2HE   LYS 275          2HE       LYS 275  35.197   2.264 -10.233
  217   1HZ   LYS 275          1HZ       LYS 275  36.351   0.929 -11.545
  218   2HZ   LYS 275          2HZ       LYS 275  35.757  -0.450 -10.750
  219   3HZ   LYS 275          3HZ       LYS 275  37.169   0.314 -10.192
  220    H    LYS 276           H        LYS 276  33.271  -0.118  -3.900
  221    HA   LYS 276           HA       LYS 276  33.222  -1.925  -2.444
  222   1HB   LYS 276          1HB       LYS 276  30.980  -2.338  -4.398
  223   2HB   LYS 276          2HB       LYS 276  31.270  -3.522  -3.123
  224   1HG   LYS 276          1HG       LYS 276  30.763  -2.017  -1.420
  225   2HG   LYS 276          2HG       LYS 276  31.167  -0.611  -2.406
  226   1HD   LYS 276          1HD       LYS 276  29.121  -0.617  -3.503
  227   2HD   LYS 276          2HD       LYS 276  28.877  -2.346  -3.253
  228   1HE   LYS 276          1HE       LYS 276  27.396  -0.834  -1.845
  229   2HE   LYS 276          2HE       LYS 276  28.330  -2.026  -0.940
  230   1HZ   LYS 276          1HZ       LYS 276  29.670   0.499  -1.391
  231   2HZ   LYS 276          2HZ       LYS 276  29.575  -0.447   0.017
  232   3HZ   LYS 276          3HZ       LYS 276  28.299   0.594  -0.397
  233   1HN   NH2 277          1HN       NH2 277  34.911  -2.252  -5.057
  234   2HN   NH2 277          2HN       NH2 277  35.173  -3.936  -5.135
  Start of MODEL   50
    1   1H    HIS 250          1H        HIS 250  53.713  -7.909   9.482
    2   2H    HIS 250          2H        HIS 250  54.443  -6.395   9.227
    3   3H    HIS 250          3H        HIS 250  53.111  -6.870   8.286
    4    HA   HIS 250           HA       HIS 250  51.783  -6.962  10.398
    5   1HB   HIS 250          1HB       HIS 250  54.350  -6.526  11.479
    6   2HB   HIS 250          2HB       HIS 250  53.461  -5.023  11.734
    7    HD2  HIS 250           HD2      HIS 250  50.599  -5.848  12.693
    8    HE1  HIS 250           HE1      HIS 250  52.353  -8.820  15.127
    9    HE2  HIS 250           HE2      HIS 250  50.239  -7.479  14.703
   10    H    ILE 251           H        ILE 251  50.793  -4.847  11.196
   11    HA   ILE 251           HA       ILE 251  51.063  -2.760   9.113
   12    HB   ILE 251           HB       ILE 251  48.552  -2.364   9.830
   13   1HG1  ILE 251          1HG1      ILE 251  48.991  -4.414  11.493
   14   2HG1  ILE 251          2HG1      ILE 251  47.420  -4.154  10.744
   15   1HG2  ILE 251          1HG2      ILE 251  47.918  -4.069   8.008
   16   2HG2  ILE 251          2HG2      ILE 251  49.642  -4.437   7.926
   17   3HG2  ILE 251          3HG2      ILE 251  49.069  -2.810   7.565
   18   1HD1  ILE 251          1HD1      ILE 251  49.523  -5.879   9.425
   19   2HD1  ILE 251          2HD1      ILE 251  47.787  -5.839   9.118
   20   3HD1  ILE 251          3HD1      ILE 251  48.402  -6.534  10.617
   21    H    ASN 252           H        ASN 252  51.129  -3.558  12.415
   22    HA   ASN 252           HA       ASN 252  50.571  -0.836  13.321
   23   1HB   ASN 252          1HB       ASN 252  51.239  -3.382  14.807
   24   2HB   ASN 252          2HB       ASN 252  50.968  -1.826  15.590
   25   1HD2  ASN 252          1HD2      ASN 252  49.125  -2.642  12.705
   26   2HD2  ASN 252          2HD2      ASN 252  47.647  -2.895  13.501
   27    H    GLU 253           H        GLU 253  53.139  -2.305  11.951
   28    HA   GLU 253           HA       GLU 253  55.148  -1.044  13.702
   29   1HB   GLU 253          1HB       GLU 253  55.363  -3.100  11.497
   30   2HB   GLU 253          2HB       GLU 253  56.769  -2.318  12.221
   31   1HG   GLU 253          1HG       GLU 253  56.294  -3.225  14.372
   32   2HG   GLU 253          2HG       GLU 253  54.670  -3.715  13.888
   33    H    LEU 254           H        LEU 254  53.948  -1.141  10.396
   34    HA   LEU 254           HA       LEU 254  55.793   0.774   9.362
   35   1HB   LEU 254          1HB       LEU 254  53.509   0.849   7.744
   36   2HB   LEU 254          2HB       LEU 254  54.961  -0.111   7.477
   37    HG   LEU 254           HG       LEU 254  52.651  -1.036   9.206
   38   1HD1  LEU 254          1HD1      LEU 254  52.923  -0.914   6.309
   39   2HD1  LEU 254          2HD1      LEU 254  51.523  -1.368   7.281
   40   3HD1  LEU 254          3HD1      LEU 254  52.742  -2.574   6.873
   41   1HD2  LEU 254          1HD2      LEU 254  55.297  -1.952   8.885
   42   2HD2  LEU 254          2HD2      LEU 254  54.308  -3.051   7.927
   43   3HD2  LEU 254          3HD2      LEU 254  53.964  -2.824   9.641
   44    H    LEU 255           H        LEU 255  53.922   1.345  11.783
   45    HA   LEU 255           HA       LEU 255  52.020   3.201  11.503
   46   1HB   LEU 255          1HB       LEU 255  54.408   3.759  13.272
   47   2HB   LEU 255          2HB       LEU 255  52.738   4.261  13.529
   48    HG   LEU 255           HG       LEU 255  53.792   1.419  13.568
   49   1HD1  LEU 255          1HD1      LEU 255  52.726   3.301  15.684
   50   2HD1  LEU 255          2HD1      LEU 255  54.318   2.545  15.619
   51   3HD1  LEU 255          3HD1      LEU 255  52.888   1.564  15.939
   52   1HD2  LEU 255          1HD2      LEU 255  51.323   1.091  14.426
   53   2HD2  LEU 255          2HD2      LEU 255  51.638   1.158  12.692
   54   3HD2  LEU 255          3HD2      LEU 255  51.019   2.580  13.531
   55    H    HIS 256           H        HIS 256  55.369   3.670  10.594
   56    HA   HIS 256           HA       HIS 256  54.977   6.507  10.041
   57   1HB   HIS 256          1HB       HIS 256  57.418   5.515   8.938
   58   2HB   HIS 256          2HB       HIS 256  57.196   6.569  10.335
   59    HD2  HIS 256           HD2      HIS 256  57.487   2.682   9.612
   60    HE1  HIS 256           HE1      HIS 256  58.132   3.354  13.730
   61    HE2  HIS 256           HE2      HIS 256  58.151   1.600  11.893
   62    H    ILE 257           H        ILE 257  55.496   3.483   8.262
   63    HA   ILE 257           HA       ILE 257  55.312   4.793   5.686
   64    HB   ILE 257           HB       ILE 257  55.650   1.959   6.616
   65   1HG1  ILE 257          1HG1      ILE 257  57.253   3.291   4.477
   66   2HG1  ILE 257          2HG1      ILE 257  57.457   3.880   6.127
   67   1HG2  ILE 257          1HG2      ILE 257  54.745   2.943   3.915
   68   2HG2  ILE 257          2HG2      ILE 257  54.153   1.565   4.844
   69   3HG2  ILE 257          3HG2      ILE 257  55.728   1.485   4.054
   70   1HD1  ILE 257          1HD1      ILE 257  57.558   0.931   5.500
   71   2HD1  ILE 257          2HD1      ILE 257  58.189   1.775   6.915
   72   3HD1  ILE 257          3HD1      ILE 257  58.993   1.947   5.354
   73    H    LEU 258           H        LEU 258  53.276   2.633   7.657
   74    HA   LEU 258           HA       LEU 258  51.193   2.014   6.056
   75   1HB   LEU 258          1HB       LEU 258  51.557   1.940   8.727
   76   2HB   LEU 258          2HB       LEU 258  50.366   3.238   8.628
   77    HG   LEU 258           HG       LEU 258  50.077   0.470   7.420
   78   1HD1  LEU 258          1HD1      LEU 258  49.772   1.161  10.038
   79   2HD1  LEU 258          2HD1      LEU 258  48.841  -0.110   9.247
   80   3HD1  LEU 258          3HD1      LEU 258  48.156   1.506   9.420
   81   1HD2  LEU 258          1HD2      LEU 258  48.847   1.844   5.981
   82   2HD2  LEU 258          2HD2      LEU 258  48.457   2.999   7.256
   83   3HD2  LEU 258          3HD2      LEU 258  47.639   1.438   7.199
   84    H    VAL 259           H        VAL 259  51.874   5.217   7.371
   85    HA   VAL 259           HA       VAL 259  49.538   6.572   6.820
   86    HB   VAL 259           HB       VAL 259  52.411   7.468   6.562
   87   1HG1  VAL 259          1HG1      VAL 259  49.823   8.976   6.199
   88   2HG1  VAL 259          2HG1      VAL 259  51.262   9.002   5.179
   89   3HG1  VAL 259          3HG1      VAL 259  51.284   9.793   6.756
   90   1HG2  VAL 259          1HG2      VAL 259  51.973   8.518   8.715
   91   2HG2  VAL 259          2HG2      VAL 259  51.518   6.817   8.816
   92   3HG2  VAL 259          3HG2      VAL 259  50.274   8.054   8.635
   93    H    PHE 260           H        PHE 260  52.019   5.484   4.585
   94    HA   PHE 260           HA       PHE 260  51.156   6.967   2.324
   95   1HB   PHE 260          1HB       PHE 260  52.799   4.478   2.705
   96   2HB   PHE 260          2HB       PHE 260  52.331   5.002   1.088
   97    HD1  PHE 260           HD1      PHE 260  53.806   6.358   4.259
   98    HD2  PHE 260           HD2      PHE 260  53.667   6.567  -0.030
   99    HE1  PHE 260           HE1      PHE 260  55.626   8.041   4.281
  100    HE2  PHE 260           HE2      PHE 260  55.487   8.249  -0.007
  101    HZ   PHE 260           HZ       PHE 260  56.467   8.988   2.148
  102    H    GLY 261           H        GLY 261  49.461   4.800   4.071
  103   1HA   GLY 261          1HA       GLY 261  47.945   3.820   1.721
  104   2HA   GLY 261          2HA       GLY 261  48.144   2.883   3.195
  105    H    GLU 262           H        GLU 262  47.766   5.007   5.057
  106    HA   GLU 262           HA       GLU 262  44.992   4.950   5.390
  107   1HB   GLU 262          1HB       GLU 262  45.308   6.349   7.239
  108   2HB   GLU 262          2HB       GLU 262  46.868   5.541   7.086
  109   1HG   GLU 262          1HG       GLU 262  47.559   7.745   7.272
  110   2HG   GLU 262          2HG       GLU 262  47.421   7.607   5.523
  111    H    SER 263           H        SER 263  46.997   7.070   3.510
  112    HA   SER 263           HA       SER 263  44.852   9.020   3.141
  113   1HB   SER 263          1HB       SER 263  46.509  10.238   1.790
  114   2HB   SER 263          2HB       SER 263  47.155   9.836   3.378
  115    HG   SER 263           HG       SER 263  48.382   9.350   1.267
  116    H    LEU 264           H        LEU 264  46.398   6.362   1.481
  117    HA   LEU 264           HA       LEU 264  45.425   6.902  -1.129
  118   1HB   LEU 264          1HB       LEU 264  47.163   5.092  -0.088
  119   2HB   LEU 264          2HB       LEU 264  45.747   4.070  -0.341
  120    HG   LEU 264           HG       LEU 264  47.042   5.841  -2.438
  121   1HD1  LEU 264          1HD1      LEU 264  48.377   4.082  -2.861
  122   2HD1  LEU 264          2HD1      LEU 264  46.956   3.072  -3.129
  123   3HD1  LEU 264          3HD1      LEU 264  47.653   3.203  -1.514
  124   1HD2  LEU 264          1HD2      LEU 264  45.438   4.323  -3.876
  125   2HD2  LEU 264          2HD2      LEU 264  44.793   5.754  -3.073
  126   3HD2  LEU 264          3HD2      LEU 264  44.552   4.159  -2.361
  127    H    LEU 265           H        LEU 265  44.059   5.289   1.673
  128    HA   LEU 265           HA       LEU 265  41.783   4.248   0.219
  129   1HB   LEU 265          1HB       LEU 265  42.583   4.325   3.121
  130   2HB   LEU 265          2HB       LEU 265  40.972   3.801   2.629
  131    HG   LEU 265           HG       LEU 265  43.295   2.618   1.180
  132   1HD1  LEU 265          1HD1      LEU 265  42.469   1.816   3.988
  133   2HD1  LEU 265          2HD1      LEU 265  44.022   2.514   3.527
  134   3HD1  LEU 265          3HD1      LEU 265  43.572   0.909   2.953
  135   1HD2  LEU 265          1HD2      LEU 265  40.717   2.207   0.896
  136   2HD2  LEU 265          2HD2      LEU 265  40.904   1.195   2.328
  137   3HD2  LEU 265          3HD2      LEU 265  41.815   0.828   0.863
  138    H    ASN 266           H        ASN 266  42.518   7.010   2.279
  139    HA   ASN 266           HA       ASN 266  40.094   8.014   2.978
  140   1HB   ASN 266          1HB       ASN 266  42.683   9.199   2.260
  141   2HB   ASN 266          2HB       ASN 266  41.315  10.291   2.058
  142   1HD2  ASN 266          1HD2      ASN 266  43.063   8.315   4.451
  143   2HD2  ASN 266          2HD2      ASN 266  42.399   9.083   5.811
  144    H    ASP 267           H        ASP 267  41.661   9.000  -0.076
  145    HA   ASP 267           HA       ASP 267  39.498  10.246  -1.253
  146   1HB   ASP 267          1HB       ASP 267  41.370   8.539  -2.875
  147   2HB   ASP 267          2HB       ASP 267  40.651  10.094  -3.292
  148    H    ALA 268           H        ALA 268  40.089   6.845  -0.826
  149    HA   ALA 268           HA       ALA 268  38.009   6.050  -2.699
  150   1HB   ALA 268          1HB       ALA 268  38.806   3.915  -2.460
  151   2HB   ALA 268          2HB       ALA 268  39.147   4.120  -0.742
  152   3HB   ALA 268          3HB       ALA 268  40.248   4.790  -1.945
  153    H    VAL 269           H        VAL 269  38.485   6.359   0.778
  154    HA   VAL 269           HA       VAL 269  35.825   5.286   1.335
  155    HB   VAL 269           HB       VAL 269  37.957   6.379   3.187
  156   1HG1  VAL 269          1HG1      VAL 269  36.032   6.588   4.461
  157   2HG1  VAL 269          2HG1      VAL 269  36.431   4.901   4.785
  158   3HG1  VAL 269          3HG1      VAL 269  35.193   5.300   3.594
  159   1HG2  VAL 269          1HG2      VAL 269  37.152   3.581   2.349
  160   2HG2  VAL 269          2HG2      VAL 269  38.135   3.909   3.776
  161   3HG2  VAL 269          3HG2      VAL 269  38.733   4.343   2.174
  162    H    THR 270           H        THR 270  36.969   8.151   0.260
  163    HA   THR 270           HA       THR 270  35.498   9.944   1.987
  164    HB   THR 270           HB       THR 270  36.991  10.310  -0.608
  165    HG1  THR 270           HG1      THR 270  37.451  11.672   1.784
  166   1HG2  THR 270          1HG2      THR 270  35.398  11.955  -0.911
  167   2HG2  THR 270          2HG2      THR 270  36.538  12.828   0.113
  168   3HG2  THR 270          3HG2      THR 270  35.085  12.116   0.817
  169    H    VAL 271           H        VAL 271  35.246   9.249  -1.515
  170    HA   VAL 271           HA       VAL 271  32.804  10.443  -1.977
  171    HB   VAL 271           HB       VAL 271  34.171   9.522  -3.781
  172   1HG1  VAL 271          1HG1      VAL 271  34.152   7.214  -2.127
  173   2HG1  VAL 271          2HG1      VAL 271  34.985   7.426  -3.667
  174   3HG1  VAL 271          3HG1      VAL 271  33.348   6.767  -3.632
  175   1HG2  VAL 271          1HG2      VAL 271  31.447   9.541  -3.668
  176   2HG2  VAL 271          2HG2      VAL 271  31.741   7.845  -4.057
  177   3HG2  VAL 271          3HG2      VAL 271  32.360   9.113  -5.116
  178    H    VAL 272           H        VAL 272  33.484   7.709  -0.058
  179    HA   VAL 272           HA       VAL 272  30.707   6.753  -0.152
  180    HB   VAL 272           HB       VAL 272  33.157   5.579   1.180
  181   1HG1  VAL 272          1HG1      VAL 272  31.430   4.680   2.437
  182   2HG1  VAL 272          2HG1      VAL 272  31.448   3.544   1.089
  183   3HG1  VAL 272          3HG1      VAL 272  30.256   4.841   1.132
  184   1HG2  VAL 272          1HG2      VAL 272  31.805   4.121  -0.985
  185   2HG2  VAL 272          2HG2      VAL 272  33.524   4.434  -0.745
  186   3HG2  VAL 272          3HG2      VAL 272  32.503   5.656  -1.505
  187    H    LEU 273           H        LEU 273  32.408   9.031   1.522
  188    HA   LEU 273           HA       LEU 273  31.374   8.429   4.168
  189   1HB   LEU 273          1HB       LEU 273  33.455  10.051   3.125
  190   2HB   LEU 273          2HB       LEU 273  32.341  11.121   3.971
  191    HG   LEU 273           HG       LEU 273  33.510   8.574   5.123
  192   1HD1  LEU 273          1HD1      LEU 273  34.516  10.505   6.669
  193   2HD1  LEU 273          2HD1      LEU 273  34.335  11.447   5.188
  194   3HD1  LEU 273          3HD1      LEU 273  35.334   9.993   5.191
  195   1HD2  LEU 273          1HD2      LEU 273  32.519  10.369   7.090
  196   2HD2  LEU 273          2HD2      LEU 273  31.877   8.784   6.663
  197   3HD2  LEU 273          3HD2      LEU 273  31.269  10.228   5.856
  198    H    TYR 274           H        TYR 274  31.152  11.542   2.452
  199    HA   TYR 274           HA       TYR 274  28.419  11.816   3.476
  200   1HB   TYR 274          1HB       TYR 274  28.830  14.202   2.414
  201   2HB   TYR 274          2HB       TYR 274  29.516  13.776   3.982
  202    HD1  TYR 274           HD1      TYR 274  31.893  13.403   4.262
  203    HD2  TYR 274           HD2      TYR 274  30.235  14.217   0.383
  204    HE1  TYR 274           HE1      TYR 274  34.173  13.792   3.368
  205    HE2  TYR 274           HE2      TYR 274  32.514  14.605  -0.510
  206    HH   TYR 274           HH       TYR 274  34.730  15.228   0.321
  207    H    LYS 275           H        LYS 275  30.198  12.142   0.409
  208    HA   LYS 275           HA       LYS 275  28.294  12.851  -1.367
  209   1HB   LYS 275          1HB       LYS 275  30.596  10.996  -1.499
  210   2HB   LYS 275          2HB       LYS 275  29.426  10.871  -2.811
  211   1HG   LYS 275          1HG       LYS 275  30.454  13.565  -1.937
  212   2HG   LYS 275          2HG       LYS 275  31.391  12.573  -3.054
  213   1HD   LYS 275          1HD       LYS 275  29.913  12.874  -4.768
  214   2HD   LYS 275          2HD       LYS 275  28.510  12.831  -3.700
  215   1HE   LYS 275          1HE       LYS 275  28.750  15.101  -3.095
  216   2HE   LYS 275          2HE       LYS 275  30.416  15.168  -3.672
  217   1HZ   LYS 275          1HZ       LYS 275  28.255  14.534  -5.561
  218   2HZ   LYS 275          2HZ       LYS 275  29.757  15.274  -5.851
  219   3HZ   LYS 275          3HZ       LYS 275  28.506  16.147  -5.103
  220    H    LYS 276           H        LYS 276  28.944   9.375  -1.286
  221    HA   LYS 276           HA       LYS 276  26.526   8.525  -2.280
  222   1HB   LYS 276          1HB       LYS 276  28.420   7.212  -0.334
  223   2HB   LYS 276          2HB       LYS 276  26.978   6.390  -0.931
  224   1HG   LYS 276          1HG       LYS 276  27.734   6.708  -3.249
  225   2HG   LYS 276          2HG       LYS 276  29.165   7.564  -2.675
  226   1HD   LYS 276          1HD       LYS 276  30.238   5.638  -2.177
  227   2HD   LYS 276          2HD       LYS 276  28.819   4.971  -1.369
  228   1HE   LYS 276          1HE       LYS 276  29.480   3.654  -3.384
  229   2HE   LYS 276          2HE       LYS 276  27.852   4.320  -3.512
  230   1HZ   LYS 276          1HZ       LYS 276  29.979   4.704  -5.250
  231   2HZ   LYS 276          2HZ       LYS 276  29.729   6.194  -4.471
  232   3HZ   LYS 276          3HZ       LYS 276  28.453   5.443  -5.305
  233   1HN   NH2 277          1HN       NH2 277  27.000  10.054   0.748
  234   2HN   NH2 277          2HN       NH2 277  25.493   9.646   1.441
  Start of MODEL   51
    1   1H    HIS 250          1H        HIS 250  63.117   4.471   5.769
    2   2H    HIS 250          2H        HIS 250  64.784   4.508   6.097
    3   3H    HIS 250          3H        HIS 250  63.979   5.925   5.616
    4    HA   HIS 250           HA       HIS 250  64.495   5.200   8.176
    5   1HB   HIS 250          1HB       HIS 250  63.056   7.245   6.713
    6   2HB   HIS 250          2HB       HIS 250  62.246   6.892   8.239
    7    HD2  HIS 250           HD2      HIS 250  64.372   6.791  10.464
    8    HE1  HIS 250           HE1      HIS 250  66.498   9.921   8.592
    9    HE2  HIS 250           HE2      HIS 250  66.222   8.612  10.750
   10    H    ILE 251           H        ILE 251  62.407   5.465   9.819
   11    HA   ILE 251           HA       ILE 251  60.904   2.975   9.386
   12    HB   ILE 251           HB       ILE 251  60.635   4.308  11.985
   13   1HG1  ILE 251          1HG1      ILE 251  62.930   4.999  11.526
   14   2HG1  ILE 251          2HG1      ILE 251  62.948   3.687  12.701
   15   1HG2  ILE 251          1HG2      ILE 251  61.588   1.551  11.157
   16   2HG2  ILE 251          2HG2      ILE 251  59.909   1.989  11.467
   17   3HG2  ILE 251          3HG2      ILE 251  61.088   2.037  12.777
   18   1HD1  ILE 251          1HD1      ILE 251  63.036   2.399  10.209
   19   2HD1  ILE 251          2HD1      ILE 251  64.377   2.610  11.332
   20   3HD1  ILE 251          3HD1      ILE 251  64.118   3.781  10.040
   21    H    ASN 252           H        ASN 252  60.473   6.378  10.240
   22    HA   ASN 252           HA       ASN 252  57.807   6.584  10.771
   23   1HB   ASN 252          1HB       ASN 252  59.486   8.370   9.009
   24   2HB   ASN 252          2HB       ASN 252  57.893   8.803   9.624
   25   1HD2  ASN 252          1HD2      ASN 252  59.686   6.827  11.798
   26   2HD2  ASN 252          2HD2      ASN 252  60.202   8.062  12.841
   27    H    GLU 253           H        GLU 253  59.219   5.485   7.861
   28    HA   GLU 253           HA       GLU 253  57.432   6.117   5.875
   29   1HB   GLU 253          1HB       GLU 253  58.756   3.439   6.368
   30   2HB   GLU 253          2HB       GLU 253  58.017   3.941   4.847
   31   1HG   GLU 253          1HG       GLU 253  60.069   5.727   6.100
   32   2HG   GLU 253          2HG       GLU 253  60.614   4.276   5.258
   33    H    LEU 254           H        LEU 254  57.233   2.931   7.448
   34    HA   LEU 254           HA       LEU 254  54.339   2.943   7.003
   35   1HB   LEU 254          1HB       LEU 254  55.945   0.663   8.138
   36   2HB   LEU 254          2HB       LEU 254  54.415   0.603   7.264
   37    HG   LEU 254           HG       LEU 254  57.110   1.383   6.111
   38   1HD1  LEU 254          1HD1      LEU 254  55.620  -0.786   4.851
   39   2HD1  LEU 254          2HD1      LEU 254  55.980  -1.134   6.541
   40   3HD1  LEU 254          3HD1      LEU 254  57.289  -0.761   5.420
   41   1HD2  LEU 254          1HD2      LEU 254  54.295   1.577   5.094
   42   2HD2  LEU 254          2HD2      LEU 254  55.578   1.172   3.954
   43   3HD2  LEU 254          3HD2      LEU 254  55.648   2.685   4.858
   44    H    LEU 255           H        LEU 255  56.324   3.972   9.419
   45    HA   LEU 255           HA       LEU 255  54.727   2.917  11.624
   46   1HB   LEU 255          1HB       LEU 255  57.298   4.410  11.374
   47   2HB   LEU 255          2HB       LEU 255  56.410   4.528  12.889
   48    HG   LEU 255           HG       LEU 255  58.110   2.666  12.810
   49   1HD1  LEU 255          1HD1      LEU 255  55.727   1.051  13.095
   50   2HD1  LEU 255          2HD1      LEU 255  55.475   2.637  13.820
   51   3HD1  LEU 255          3HD1      LEU 255  56.825   1.633  14.343
   52   1HD2  LEU 255          1HD2      LEU 255  56.179   1.196  11.031
   53   2HD2  LEU 255          2HD2      LEU 255  57.869   0.833  11.372
   54   3HD2  LEU 255          3HD2      LEU 255  57.454   2.191  10.328
   55    H    HIS 256           H        HIS 256  55.932   6.225  11.019
   56    HA   HIS 256           HA       HIS 256  53.427   7.261  12.136
   57   1HB   HIS 256          1HB       HIS 256  55.996   8.692  11.423
   58   2HB   HIS 256          2HB       HIS 256  54.609   9.410  12.244
   59    HD2  HIS 256           HD2      HIS 256  57.613   7.049  13.048
   60    HE1  HIS 256           HE1      HIS 256  55.393   7.547  16.603
   61    HE2  HIS 256           HE2      HIS 256  57.539   6.608  15.621
   62    H    ILE 257           H        ILE 257  55.526   8.074   9.350
   63    HA   ILE 257           HA       ILE 257  53.546   9.635   8.058
   64    HB   ILE 257           HB       ILE 257  56.023   8.297   6.948
   65   1HG1  ILE 257          1HG1      ILE 257  55.608  11.223   7.553
   66   2HG1  ILE 257          2HG1      ILE 257  56.135  10.109   8.814
   67   1HG2  ILE 257          1HG2      ILE 257  55.609  10.359   5.297
   68   2HG2  ILE 257          2HG2      ILE 257  53.931  10.052   5.738
   69   3HG2  ILE 257          3HG2      ILE 257  54.894   8.777   4.991
   70   1HD1  ILE 257          1HD1      ILE 257  57.529  10.598   6.164
   71   2HD1  ILE 257          2HD1      ILE 257  58.039   9.414   7.367
   72   3HD1  ILE 257          3HD1      ILE 257  58.088  11.135   7.748
   73    H    LEU 258           H        LEU 258  53.353   6.487   8.707
   74    HA   LEU 258           HA       LEU 258  52.874   5.003   6.489
   75   1HB   LEU 258          1HB       LEU 258  50.846   4.046   7.840
   76   2HB   LEU 258          2HB       LEU 258  52.483   3.836   8.444
   77    HG   LEU 258           HG       LEU 258  52.181   5.844   9.891
   78   1HD1  LEU 258          1HD1      LEU 258  49.556   5.882   8.469
   79   2HD1  LEU 258          2HD1      LEU 258  50.542   7.225   9.046
   80   3HD1  LEU 258          3HD1      LEU 258  49.559   6.304  10.179
   81   1HD2  LEU 258          1HD2      LEU 258  51.689   3.495  10.654
   82   2HD2  LEU 258          2HD2      LEU 258  49.990   3.793  10.285
   83   3HD2  LEU 258          3HD2      LEU 258  50.800   4.740  11.534
   84    H    VAL 259           H        VAL 259  51.180   7.855   7.367
   85    HA   VAL 259           HA       VAL 259  48.663   7.605   6.336
   86    HB   VAL 259           HB       VAL 259  50.446   9.955   5.675
   87   1HG1  VAL 259          1HG1      VAL 259  47.522   9.905   6.444
   88   2HG1  VAL 259          2HG1      VAL 259  48.051   9.742   4.770
   89   3HG1  VAL 259          3HG1      VAL 259  48.421  11.210   5.674
   90   1HG2  VAL 259          1HG2      VAL 259  49.186   9.084   8.276
   91   2HG2  VAL 259          2HG2      VAL 259  49.489  10.790   7.940
   92   3HG2  VAL 259          3HG2      VAL 259  50.832   9.648   7.987
   93    H    PHE 260           H        PHE 260  51.685   7.890   4.535
   94    HA   PHE 260           HA       PHE 260  50.738   8.298   1.964
   95   1HB   PHE 260          1HB       PHE 260  53.125   6.966   3.133
   96   2HB   PHE 260          2HB       PHE 260  52.767   6.620   1.442
   97    HD1  PHE 260           HD1      PHE 260  53.877   7.996  -0.077
   98    HD2  PHE 260           HD2      PHE 260  52.625   9.624   3.697
   99    HE1  PHE 260           HE1      PHE 260  54.807  10.202  -0.719
  100    HE2  PHE 260           HE2      PHE 260  53.557  11.830   3.054
  101    HZ   PHE 260           HZ       PHE 260  54.648  12.119   0.846
  102    H    GLY 261           H        GLY 261  50.073   5.729   4.038
  103   1HA   GLY 261          1HA       GLY 261  49.383   3.906   1.821
  104   2HA   GLY 261          2HA       GLY 261  49.591   3.430   3.504
  105    H    GLU 262           H        GLU 262  48.067   5.875   4.371
  106    HA   GLU 262           HA       GLU 262  45.406   4.685   4.086
  107   1HB   GLU 262          1HB       GLU 262  44.894   5.608   6.113
  108   2HB   GLU 262          2HB       GLU 262  46.647   5.580   6.290
  109   1HG   GLU 262          1HG       GLU 262  46.621   7.939   5.253
  110   2HG   GLU 262          2HG       GLU 262  44.884   7.922   5.559
  111    H    SER 263           H        SER 263  47.225   7.506   3.161
  112    HA   SER 263           HA       SER 263  45.186   9.314   2.578
  113   1HB   SER 263          1HB       SER 263  47.776   9.571   2.440
  114   2HB   SER 263          2HB       SER 263  47.571   9.029   0.777
  115    HG   SER 263           HG       SER 263  45.733  10.769   1.013
  116    H    LEU 264           H        LEU 264  46.245   6.467   0.850
  117    HA   LEU 264           HA       LEU 264  44.791   7.109  -1.566
  118   1HB   LEU 264          1HB       LEU 264  45.390   4.817  -2.252
  119   2HB   LEU 264          2HB       LEU 264  46.798   5.704  -1.665
  120    HG   LEU 264           HG       LEU 264  45.803   4.568   0.645
  121   1HD1  LEU 264          1HD1      LEU 264  45.556   2.562  -1.620
  122   2HD1  LEU 264          2HD1      LEU 264  44.213   3.213  -0.680
  123   3HD1  LEU 264          3HD1      LEU 264  45.422   2.193   0.100
  124   1HD2  LEU 264          1HD2      LEU 264  47.739   3.018   0.404
  125   2HD2  LEU 264          2HD2      LEU 264  48.161   4.675  -0.025
  126   3HD2  LEU 264          3HD2      LEU 264  47.874   3.482  -1.291
  127    H    LEU 265           H        LEU 265  44.224   5.280   1.375
  128    HA   LEU 265           HA       LEU 265  41.822   4.011   0.417
  129   1HB   LEU 265          1HB       LEU 265  43.399   3.219   2.310
  130   2HB   LEU 265          2HB       LEU 265  42.534   4.381   3.317
  131    HG   LEU 265           HG       LEU 265  40.443   3.137   2.103
  132   1HD1  LEU 265          1HD1      LEU 265  42.185   1.577   1.037
  133   2HD1  LEU 265          2HD1      LEU 265  40.840   0.802   1.873
  134   3HD1  LEU 265          3HD1      LEU 265  42.416   0.914   2.655
  135   1HD2  LEU 265          1HD2      LEU 265  40.695   3.517   4.515
  136   2HD2  LEU 265          2HD2      LEU 265  41.914   2.247   4.604
  137   3HD2  LEU 265          3HD2      LEU 265  40.243   1.838   4.218
  138    H    ASN 266           H        ASN 266  42.639   6.946   2.154
  139    HA   ASN 266           HA       ASN 266  39.987   7.563   3.017
  140   1HB   ASN 266          1HB       ASN 266  41.029   9.223   4.107
  141   2HB   ASN 266          2HB       ASN 266  42.542   8.614   3.437
  142   1HD2  ASN 266          1HD2      ASN 266  43.248   9.585   1.317
  143   2HD2  ASN 266          2HD2      ASN 266  42.746  11.159   0.926
  144    H    ASP 267           H        ASP 267  41.957   8.515   0.224
  145    HA   ASP 267           HA       ASP 267  40.211  10.383  -0.910
  146   1HB   ASP 267          1HB       ASP 267  42.448   8.701  -1.863
  147   2HB   ASP 267          2HB       ASP 267  41.328   9.251  -3.109
  148    H    ALA 268           H        ALA 268  40.171   6.882  -0.934
  149    HA   ALA 268           HA       ALA 268  38.022   6.774  -2.904
  150   1HB   ALA 268          1HB       ALA 268  39.941   5.068  -2.676
  151   2HB   ALA 268          2HB       ALA 268  38.307   4.435  -2.880
  152   3HB   ALA 268          3HB       ALA 268  39.052   4.456  -1.282
  153    H    VAL 269           H        VAL 269  38.503   5.760   0.484
  154    HA   VAL 269           HA       VAL 269  35.956   4.939   1.116
  155    HB   VAL 269           HB       VAL 269  37.896   6.512   2.823
  156   1HG1  VAL 269          1HG1      VAL 269  35.193   5.434   3.338
  157   2HG1  VAL 269          2HG1      VAL 269  36.091   6.680   4.205
  158   3HG1  VAL 269          3HG1      VAL 269  36.409   4.976   4.530
  159   1HG2  VAL 269          1HG2      VAL 269  38.189   4.019   1.727
  160   2HG2  VAL 269          2HG2      VAL 269  37.411   3.629   3.262
  161   3HG2  VAL 269          3HG2      VAL 269  38.931   4.525   3.245
  162    H    THR 270           H        THR 270  37.213   8.257   1.518
  163    HA   THR 270           HA       THR 270  34.864   9.492   2.328
  164    HB   THR 270           HB       THR 270  37.150  10.541   2.222
  165    HG1  THR 270           HG1      THR 270  35.733  12.068   2.591
  166   1HG2  THR 270          1HG2      THR 270  37.169   9.763  -0.360
  167   2HG2  THR 270          2HG2      THR 270  38.140  11.108   0.238
  168   3HG2  THR 270          3HG2      THR 270  36.598  11.420  -0.560
  169    H    VAL 271           H        VAL 271  35.832   8.396  -0.837
  170    HA   VAL 271           HA       VAL 271  33.633   9.799  -2.155
  171    HB   VAL 271           HB       VAL 271  35.857   8.017  -3.150
  172   1HG1  VAL 271          1HG1      VAL 271  34.074   7.437  -4.587
  173   2HG1  VAL 271          2HG1      VAL 271  34.887   8.748  -5.440
  174   3HG1  VAL 271          3HG1      VAL 271  33.398   9.065  -4.550
  175   1HG2  VAL 271          1HG2      VAL 271  36.454  10.106  -4.383
  176   2HG2  VAL 271          2HG2      VAL 271  36.481  10.326  -2.633
  177   3HG2  VAL 271          3HG2      VAL 271  35.119  10.931  -3.577
  178    H    VAL 272           H        VAL 272  34.187   6.833  -0.592
  179    HA   VAL 272           HA       VAL 272  32.336   5.261  -2.160
  180    HB   VAL 272           HB       VAL 272  33.700   4.784   0.495
  181   1HG1  VAL 272          1HG1      VAL 272  32.861   2.365  -0.055
  182   2HG1  VAL 272          2HG1      VAL 272  31.639   3.196  -1.016
  183   3HG1  VAL 272          3HG1      VAL 272  31.753   3.500   0.717
  184   1HG2  VAL 272          1HG2      VAL 272  35.276   3.630  -0.710
  185   2HG2  VAL 272          2HG2      VAL 272  34.749   4.706  -2.004
  186   3HG2  VAL 272          3HG2      VAL 272  34.101   3.069  -1.900
  187    H    LEU 273           H        LEU 273  32.235   7.202   0.769
  188    HA   LEU 273           HA       LEU 273  29.504   6.342   1.360
  189   1HB   LEU 273          1HB       LEU 273  29.699   7.695   3.358
  190   2HB   LEU 273          2HB       LEU 273  31.159   6.719   3.193
  191    HG   LEU 273           HG       LEU 273  31.788   9.000   1.761
  192   1HD1  LEU 273          1HD1      LEU 273  31.202  10.880   3.247
  193   2HD1  LEU 273          2HD1      LEU 273  30.261   9.788   4.263
  194   3HD1  LEU 273          3HD1      LEU 273  29.748  10.114   2.608
  195   1HD2  LEU 273          1HD2      LEU 273  33.108   9.565   3.880
  196   2HD2  LEU 273          2HD2      LEU 273  33.353   7.943   3.230
  197   3HD2  LEU 273          3HD2      LEU 273  32.306   8.184   4.629
  198    H    TYR 274           H        TYR 274  31.133   8.788  -0.382
  199    HA   TYR 274           HA       TYR 274  28.916  10.686  -0.242
  200   1HB   TYR 274          1HB       TYR 274  30.748  12.009  -0.440
  201   2HB   TYR 274          2HB       TYR 274  31.714  10.730  -1.177
  202    HD1  TYR 274           HD1      TYR 274  31.504  10.241  -3.614
  203    HD2  TYR 274           HD2      TYR 274  29.489  13.562  -1.778
  204    HE1  TYR 274           HE1      TYR 274  31.120  11.243  -5.848
  205    HE2  TYR 274           HE2      TYR 274  29.104  14.563  -4.014
  206    HH   TYR 274           HH       TYR 274  29.109  13.096  -6.710
  207    H    LYS 275           H        LYS 275  30.501   8.559  -2.589
  208    HA   LYS 275           HA       LYS 275  28.710   9.247  -4.731
  209   1HB   LYS 275          1HB       LYS 275  30.994   8.481  -5.188
  210   2HB   LYS 275          2HB       LYS 275  30.635   6.929  -4.429
  211   1HG   LYS 275          1HG       LYS 275  29.429   6.183  -6.218
  212   2HG   LYS 275          2HG       LYS 275  28.745   7.775  -6.549
  213   1HD   LYS 275          1HD       LYS 275  31.664   7.224  -7.054
  214   2HD   LYS 275          2HD       LYS 275  30.447   6.790  -8.253
  215   1HE   LYS 275          1HE       LYS 275  30.190   9.517  -7.133
  216   2HE   LYS 275          2HE       LYS 275  31.625   9.242  -8.121
  217   1HZ   LYS 275          1HZ       LYS 275  28.785   8.966  -8.880
  218   2HZ   LYS 275          2HZ       LYS 275  30.008   8.181  -9.760
  219   3HZ   LYS 275          3HZ       LYS 275  30.001   9.875  -9.636
  220    H    LYS 276           H        LYS 276  28.782   6.883  -2.174
  221    HA   LYS 276           HA       LYS 276  27.124   4.885  -3.128
  222   1HB   LYS 276          1HB       LYS 276  27.908   5.908  -0.510
  223   2HB   LYS 276          2HB       LYS 276  26.280   5.229  -0.509
  224   1HG   LYS 276          1HG       LYS 276  27.082   3.137  -1.429
  225   2HG   LYS 276          2HG       LYS 276  28.696   3.809  -1.664
  226   1HD   LYS 276          1HD       LYS 276  28.890   4.138   0.795
  227   2HD   LYS 276          2HD       LYS 276  27.310   3.380   0.999
  228   1HE   LYS 276          1HE       LYS 276  28.094   1.277   0.245
  229   2HE   LYS 276          2HE       LYS 276  29.547   1.980  -0.465
  230   1HZ   LYS 276          1HZ       LYS 276  30.302   2.556   1.764
  231   2HZ   LYS 276          2HZ       LYS 276  30.055   0.882   1.612
  232   3HZ   LYS 276          3HZ       LYS 276  28.918   1.839   2.433
  233   1HN   NH2 277          1HN       NH2 277  26.129   8.063  -1.794
  234   2HN   NH2 277          2HN       NH2 277  24.501   7.924  -2.288
  Start of MODEL   52
    1   1H    HIS 250          1H        HIS 250  62.639   8.679   9.464
    2   2H    HIS 250          2H        HIS 250  64.013   9.484   8.871
    3   3H    HIS 250          3H        HIS 250  62.466  10.140   8.620
    4    HA   HIS 250           HA       HIS 250  64.210  10.380  10.880
    5   1HB   HIS 250          1HB       HIS 250  63.226  12.245   9.530
    6   2HB   HIS 250          2HB       HIS 250  61.631  11.788  10.130
    7    HD2  HIS 250           HD2      HIS 250  64.884  12.046  12.396
    8    HE1  HIS 250           HE1      HIS 250  62.004  14.790  13.809
    9    HE2  HIS 250           HE2      HIS 250  64.293  13.784  14.252
   10    H    ILE 251           H        ILE 251  63.357  10.600  13.082
   11    HA   ILE 251           HA       ILE 251  61.979   8.306  13.949
   12    HB   ILE 251           HB       ILE 251  62.392  10.944  15.378
   13   1HG1  ILE 251          1HG1      ILE 251  64.059   8.856  16.345
   14   2HG1  ILE 251          2HG1      ILE 251  64.189   8.836  14.586
   15   1HG2  ILE 251          1HG2      ILE 251  61.326   8.266  16.206
   16   2HG2  ILE 251          2HG2      ILE 251  60.802   9.877  16.695
   17   3HG2  ILE 251          3HG2      ILE 251  62.284   9.192  17.361
   18   1HD1  ILE 251          1HD1      ILE 251  64.637  11.214  16.410
   19   2HD1  ILE 251          2HD1      ILE 251  64.594  11.314  14.650
   20   3HD1  ILE 251          3HD1      ILE 251  65.854  10.373  15.450
   21    H    ASN 252           H        ASN 252  60.877  11.494  13.031
   22    HA   ASN 252           HA       ASN 252  58.195  11.078  14.063
   23   1HB   ASN 252          1HB       ASN 252  59.717  13.292  12.850
   24   2HB   ASN 252          2HB       ASN 252  58.008  13.249  12.425
   25   1HD2  ASN 252          1HD2      ASN 252  59.922  12.640  15.437
   26   2HD2  ASN 252          2HD2      ASN 252  58.914  13.579  16.430
   27    H    GLU 253           H        GLU 253  59.918  10.797  11.032
   28    HA   GLU 253           HA       GLU 253  57.462  10.382   9.513
   29   1HB   GLU 253          1HB       GLU 253  60.365  10.251   8.665
   30   2HB   GLU 253          2HB       GLU 253  58.976  10.149   7.582
   31   1HG   GLU 253          1HG       GLU 253  58.364  12.385   7.946
   32   2HG   GLU 253          2HG       GLU 253  59.272  12.486   9.455
   33    H    LEU 254           H        LEU 254  59.546   8.549  11.408
   34    HA   LEU 254           HA       LEU 254  59.796   6.132  10.032
   35   1HB   LEU 254          1HB       LEU 254  60.629   6.959  12.431
   36   2HB   LEU 254          2HB       LEU 254  59.217   6.039  12.953
   37    HG   LEU 254           HG       LEU 254  60.166   4.204  11.324
   38   1HD1  LEU 254          1HD1      LEU 254  62.384   4.337  10.728
   39   2HD1  LEU 254          2HD1      LEU 254  62.815   5.296  12.144
   40   3HD1  LEU 254          3HD1      LEU 254  62.023   6.063  10.769
   41   1HD2  LEU 254          1HD2      LEU 254  61.212   4.924  14.068
   42   2HD2  LEU 254          2HD2      LEU 254  61.683   3.430  13.257
   43   3HD2  LEU 254          3HD2      LEU 254  59.989   3.725  13.647
   44    H    LEU 255           H        LEU 255  57.064   7.539  11.707
   45    HA   LEU 255           HA       LEU 255  55.499   5.081  11.461
   46   1HB   LEU 255          1HB       LEU 255  53.709   6.614  12.521
   47   2HB   LEU 255          2HB       LEU 255  55.091   6.150  13.515
   48    HG   LEU 255           HG       LEU 255  55.465   8.595  11.885
   49   1HD1  LEU 255          1HD1      LEU 255  53.479   8.423  14.164
   50   2HD1  LEU 255          2HD1      LEU 255  53.198   9.040  12.536
   51   3HD1  LEU 255          3HD1      LEU 255  54.225   9.938  13.654
   52   1HD2  LEU 255          1HD2      LEU 255  57.116   7.704  13.530
   53   2HD2  LEU 255          2HD2      LEU 255  55.931   7.948  14.814
   54   3HD2  LEU 255          3HD2      LEU 255  56.578   9.335  13.936
   55    H    HIS 256           H        HIS 256  55.768   8.286  10.047
   56    HA   HIS 256           HA       HIS 256  53.418   8.621   8.699
   57   1HB   HIS 256          1HB       HIS 256  56.257   9.190   7.888
   58   2HB   HIS 256          2HB       HIS 256  54.920   9.556   6.798
   59    HD2  HIS 256           HD2      HIS 256  53.975  10.106  10.488
   60    HE1  HIS 256           HE1      HIS 256  54.972  13.900   8.928
   61    HE2  HIS 256           HE2      HIS 256  53.943  12.684  10.906
   62    H    ILE 257           H        ILE 257  55.798   6.156   8.169
   63    HA   ILE 257           HA       ILE 257  55.274   5.406   5.537
   64    HB   ILE 257           HB       ILE 257  56.115   3.850   7.974
   65   1HG1  ILE 257          1HG1      ILE 257  58.209   3.650   6.635
   66   2HG1  ILE 257          2HG1      ILE 257  57.462   4.612   5.360
   67   1HG2  ILE 257          1HG2      ILE 257  56.622   2.010   6.221
   68   2HG2  ILE 257          2HG2      ILE 257  55.419   2.826   5.223
   69   3HG2  ILE 257          3HG2      ILE 257  54.960   2.162   6.793
   70   1HD1  ILE 257          1HD1      ILE 257  58.958   5.858   7.054
   71   2HD1  ILE 257          2HD1      ILE 257  57.639   5.623   8.199
   72   3HD1  ILE 257          3HD1      ILE 257  57.371   6.550   6.722
   73    H    LEU 258           H        LEU 258  53.291   5.194   8.334
   74    HA   LEU 258           HA       LEU 258  51.525   3.175   7.173
   75   1HB   LEU 258          1HB       LEU 258  51.783   4.522   9.823
   76   2HB   LEU 258          2HB       LEU 258  50.198   3.900   9.359
   77    HG   LEU 258           HG       LEU 258  52.610   2.153   8.996
   78   1HD1  LEU 258          1HD1      LEU 258  53.039   2.537  11.230
   79   2HD1  LEU 258          2HD1      LEU 258  51.788   1.305  11.397
   80   3HD1  LEU 258          3HD1      LEU 258  51.375   3.010  11.577
   81   1HD2  LEU 258          1HD2      LEU 258  49.949   1.268  10.030
   82   2HD2  LEU 258          2HD2      LEU 258  51.047   0.453   8.916
   83   3HD2  LEU 258          3HD2      LEU 258  50.041   1.785   8.347
   84    H    VAL 259           H        VAL 259  51.987   6.403   6.736
   85    HA   VAL 259           HA       VAL 259  49.159   7.139   6.606
   86    HB   VAL 259           HB       VAL 259  51.655   8.737   5.983
   87   1HG1  VAL 259          1HG1      VAL 259  49.991  10.659   6.205
   88   2HG1  VAL 259          2HG1      VAL 259  48.716   9.447   6.090
   89   3HG1  VAL 259          3HG1      VAL 259  49.835   9.680   4.748
   90   1HG2  VAL 259          1HG2      VAL 259  51.405   9.697   8.143
   91   2HG2  VAL 259          2HG2      VAL 259  51.185   7.966   8.400
   92   3HG2  VAL 259          3HG2      VAL 259  49.783   9.034   8.338
   93    H    PHE 260           H        PHE 260  51.959   7.110   4.384
   94    HA   PHE 260           HA       PHE 260  50.677   7.720   2.022
   95   1HB   PHE 260          1HB       PHE 260  52.731   5.527   2.104
   96   2HB   PHE 260          2HB       PHE 260  52.514   6.798   0.902
   97    HD1  PHE 260           HD1      PHE 260  52.415   9.270   2.260
   98    HD2  PHE 260           HD2      PHE 260  54.721   5.796   3.292
   99    HE1  PHE 260           HE1      PHE 260  54.032  10.703   3.476
  100    HE2  PHE 260           HE2      PHE 260  56.336   7.229   4.508
  101    HZ   PHE 260           HZ       PHE 260  55.993   9.684   4.600
  102    H    GLY 261           H        GLY 261  50.123   5.052   4.031
  103   1HA   GLY 261          1HA       GLY 261  48.911   3.475   1.849
  104   2HA   GLY 261          2HA       GLY 261  49.336   2.855   3.442
  105    H    GLU 262           H        GLU 262  48.182   5.421   4.623
  106    HA   GLU 262           HA       GLU 262  45.450   4.410   4.818
  107   1HB   GLU 262          1HB       GLU 262  45.297   5.521   6.837
  108   2HB   GLU 262          2HB       GLU 262  47.032   5.228   6.771
  109   1HG   GLU 262          1HG       GLU 262  46.961   7.490   7.314
  110   2HG   GLU 262          2HG       GLU 262  47.103   7.562   5.561
  111    H    SER 263           H        SER 263  47.219   7.055   3.426
  112    HA   SER 263           HA       SER 263  45.019   8.834   3.061
  113   1HB   SER 263          1HB       SER 263  47.376   9.575   2.961
  114   2HB   SER 263          2HB       SER 263  47.605   8.624   1.497
  115    HG   SER 263           HG       SER 263  47.027  10.508   0.665
  116    H    LEU 264           H        LEU 264  46.094   5.981   1.457
  117    HA   LEU 264           HA       LEU 264  44.829   6.506  -1.073
  118   1HB   LEU 264          1HB       LEU 264  46.146   4.158   0.225
  119   2HB   LEU 264          2HB       LEU 264  45.092   3.871  -1.160
  120    HG   LEU 264           HG       LEU 264  47.112   6.069  -1.360
  121   1HD1  LEU 264          1HD1      LEU 264  48.815   4.448  -2.128
  122   2HD1  LEU 264          2HD1      LEU 264  47.745   3.120  -1.682
  123   3HD1  LEU 264          3HD1      LEU 264  48.398   4.182  -0.435
  124   1HD2  LEU 264          1HD2      LEU 264  45.455   5.634  -3.155
  125   2HD2  LEU 264          2HD2      LEU 264  46.057   3.983  -3.298
  126   3HD2  LEU 264          3HD2      LEU 264  47.102   5.341  -3.714
  127    H    LEU 265           H        LEU 265  43.780   5.425   2.012
  128    HA   LEU 265           HA       LEU 265  41.374   4.137   0.971
  129   1HB   LEU 265          1HB       LEU 265  42.575   4.483   3.705
  130   2HB   LEU 265          2HB       LEU 265  40.894   3.983   3.519
  131    HG   LEU 265           HG       LEU 265  41.597   2.086   2.122
  132   1HD1  LEU 265          1HD1      LEU 265  44.265   3.420   2.451
  133   2HD1  LEU 265          2HD1      LEU 265  43.542   2.715   1.005
  134   3HD1  LEU 265          3HD1      LEU 265  44.202   1.668   2.262
  135   1HD2  LEU 265          1HD2      LEU 265  43.466   1.535   4.254
  136   2HD2  LEU 265          2HD2      LEU 265  41.834   0.905   4.028
  137   3HD2  LEU 265          3HD2      LEU 265  42.081   2.422   4.892
  138    H    ASN 266           H        ASN 266  42.316   7.015   2.813
  139    HA   ASN 266           HA       ASN 266  39.695   7.988   3.274
  140   1HB   ASN 266          1HB       ASN 266  40.797   9.568   4.423
  141   2HB   ASN 266          2HB       ASN 266  42.294   8.769   3.946
  142   1HD2  ASN 266          1HD2      ASN 266  43.144   9.479   1.685
  143   2HD2  ASN 266          2HD2      ASN 266  42.949  11.114   1.278
  144    H    ASP 267           H        ASP 267  41.554   7.773   0.441
  145    HA   ASP 267           HA       ASP 267  40.361  10.064  -0.888
  146   1HB   ASP 267          1HB       ASP 267  42.489   8.125  -1.451
  147   2HB   ASP 267          2HB       ASP 267  41.513   8.534  -2.861
  148    H    ALA 268           H        ALA 268  40.004   6.549  -0.853
  149    HA   ALA 268           HA       ALA 268  37.886   6.669  -2.867
  150   1HB   ALA 268          1HB       ALA 268  38.185   4.413  -3.142
  151   2HB   ALA 268          2HB       ALA 268  38.527   4.142  -1.433
  152   3HB   ALA 268          3HB       ALA 268  39.773   4.811  -2.486
  153    H    VAL 269           H        VAL 269  38.341   5.976   0.564
  154    HA   VAL 269           HA       VAL 269  35.816   5.021   1.228
  155    HB   VAL 269           HB       VAL 269  37.821   6.675   2.751
  156   1HG1  VAL 269          1HG1      VAL 269  35.066   5.757   3.568
  157   2HG1  VAL 269          2HG1      VAL 269  35.821   7.333   3.815
  158   3HG1  VAL 269          3HG1      VAL 269  36.350   5.943   4.763
  159   1HG2  VAL 269          1HG2      VAL 269  38.573   4.659   3.513
  160   2HG2  VAL 269          2HG2      VAL 269  37.774   4.027   2.074
  161   3HG2  VAL 269          3HG2      VAL 269  36.947   3.988   3.631
  162    H    THR 270           H        THR 270  36.750   8.150   0.170
  163    HA   THR 270           HA       THR 270  34.336   9.419   1.229
  164    HB   THR 270           HB       THR 270  36.738  10.447  -0.278
  165    HG1  THR 270           HG1      THR 270  36.794  11.740   1.674
  166   1HG2  THR 270          1HG2      THR 270  35.152  11.838  -1.221
  167   2HG2  THR 270          2HG2      THR 270  35.449  12.705   0.285
  168   3HG2  THR 270          3HG2      THR 270  34.038  11.659   0.134
  169    H    VAL 271           H        VAL 271  35.898   8.978  -1.951
  170    HA   VAL 271           HA       VAL 271  33.723   9.877  -3.492
  171    HB   VAL 271           HB       VAL 271  35.829   7.850  -4.274
  172   1HG1  VAL 271          1HG1      VAL 271  33.982   7.968  -5.865
  173   2HG1  VAL 271          2HG1      VAL 271  35.389   8.782  -6.552
  174   3HG1  VAL 271          3HG1      VAL 271  34.064   9.729  -5.875
  175   1HG2  VAL 271          1HG2      VAL 271  36.718  10.006  -3.315
  176   2HG2  VAL 271          2HG2      VAL 271  35.853  10.868  -4.587
  177   3HG2  VAL 271          3HG2      VAL 271  37.150   9.748  -5.005
  178    H    VAL 272           H        VAL 272  34.309   6.860  -1.888
  179    HA   VAL 272           HA       VAL 272  32.249   5.467  -3.422
  180    HB   VAL 272           HB       VAL 272  33.986   4.563  -1.115
  181   1HG1  VAL 272          1HG1      VAL 272  31.706   3.328  -2.573
  182   2HG1  VAL 272          2HG1      VAL 272  32.264   3.058  -0.922
  183   3HG1  VAL 272          3HG1      VAL 272  33.102   2.292  -2.273
  184   1HG2  VAL 272          1HG2      VAL 272  34.062   3.870  -4.070
  185   2HG2  VAL 272          2HG2      VAL 272  35.189   3.314  -2.833
  186   3HG2  VAL 272          3HG2      VAL 272  35.149   5.017  -3.287
  187    H    LEU 273           H        LEU 273  32.571   7.271  -0.509
  188    HA   LEU 273           HA       LEU 273  30.066   6.165   0.569
  189   1HB   LEU 273          1HB       LEU 273  32.071   6.399   2.058
  190   2HB   LEU 273          2HB       LEU 273  31.951   8.144   1.863
  191    HG   LEU 273           HG       LEU 273  29.402   7.629   2.576
  192   1HD1  LEU 273          1HD1      LEU 273  29.358   5.893   4.301
  193   2HD1  LEU 273          2HD1      LEU 273  31.060   5.530   4.007
  194   3HD1  LEU 273          3HD1      LEU 273  29.857   5.189   2.763
  195   1HD2  LEU 273          1HD2      LEU 273  30.931   9.209   3.688
  196   2HD2  LEU 273          2HD2      LEU 273  31.761   7.864   4.473
  197   3HD2  LEU 273          3HD2      LEU 273  30.084   8.226   4.884
  198    H    TYR 274           H        TYR 274  31.511   9.149  -0.640
  199    HA   TYR 274           HA       TYR 274  29.034  10.626  -0.172
  200   1HB   TYR 274          1HB       TYR 274  31.776  11.383  -1.157
  201   2HB   TYR 274          2HB       TYR 274  30.411  12.488  -1.309
  202    HD1  TYR 274           HD1      TYR 274  32.190  10.353   1.199
  203    HD2  TYR 274           HD2      TYR 274  29.798  13.851   0.500
  204    HE1  TYR 274           HE1      TYR 274  32.460  11.012   3.575
  205    HE2  TYR 274           HE2      TYR 274  30.068  14.511   2.875
  206    HH   TYR 274           HH       TYR 274  32.333  13.476   4.823
  207    H    LYS 275           H        LYS 275  31.145   9.934  -2.973
  208    HA   LYS 275           HA       LYS 275  28.981  10.643  -4.795
  209   1HB   LYS 275          1HB       LYS 275  31.743   9.640  -5.493
  210   2HB   LYS 275          2HB       LYS 275  30.623  10.523  -6.530
  211   1HG   LYS 275          1HG       LYS 275  30.895  12.136  -4.254
  212   2HG   LYS 275          2HG       LYS 275  32.527  11.559  -4.590
  213   1HD   LYS 275          1HD       LYS 275  32.219  13.581  -5.861
  214   2HD   LYS 275          2HD       LYS 275  32.170  12.236  -7.003
  215   1HE   LYS 275          1HE       LYS 275  30.160  12.984  -7.691
  216   2HE   LYS 275          2HE       LYS 275  29.519  12.550  -6.107
  217   1HZ   LYS 275          1HZ       LYS 275  30.848  14.925  -5.732
  218   2HZ   LYS 275          2HZ       LYS 275  29.165  14.700  -5.791
  219   3HZ   LYS 275          3HZ       LYS 275  30.018  15.127  -7.197
  220    H    LYS 276           H        LYS 276  30.239   7.822  -3.324
  221    HA   LYS 276           HA       LYS 276  29.926   5.569  -3.719
  222   1HB   LYS 276          1HB       LYS 276  27.325   6.837  -4.550
  223   2HB   LYS 276          2HB       LYS 276  27.552   5.089  -4.617
  224   1HG   LYS 276          1HG       LYS 276  28.362   6.483  -2.106
  225   2HG   LYS 276          2HG       LYS 276  26.635   6.295  -2.412
  226   1HD   LYS 276          1HD       LYS 276  26.932   3.874  -2.706
  227   2HD   LYS 276          2HD       LYS 276  28.668   4.046  -2.445
  228   1HE   LYS 276          1HE       LYS 276  27.354   3.316  -0.403
  229   2HE   LYS 276          2HE       LYS 276  28.336   4.763  -0.174
  230   1HZ   LYS 276          1HZ       LYS 276  25.705   5.328  -1.164
  231   2HZ   LYS 276          2HZ       LYS 276  26.539   6.010   0.149
  232   3HZ   LYS 276          3HZ       LYS 276  25.682   4.556   0.346
  233   1HN   NH2 277          1HN       NH2 277  30.712   7.506  -6.180
  234   2HN   NH2 277          2HN       NH2 277  30.624   6.414  -7.489
  Start of MODEL   53
    1   1H    HIS 250          1H        HIS 250  63.247  -3.174   5.049
    2   2H    HIS 250          2H        HIS 250  63.927  -2.648   6.515
    3   3H    HIS 250          3H        HIS 250  64.376  -1.907   5.053
    4    HA   HIS 250           HA       HIS 250  62.238  -0.943   4.774
    5   1HB   HIS 250          1HB       HIS 250  61.393  -3.138   6.249
    6   2HB   HIS 250          2HB       HIS 250  61.141  -1.788   7.356
    7    HD2  HIS 250           HD2      HIS 250  60.287   0.395   4.888
    8    HE1  HIS 250           HE1      HIS 250  57.091  -2.306   4.333
    9    HE2  HIS 250           HE2      HIS 250  57.920   0.044   3.844
   10    H    ILE 251           H        ILE 251  61.139   0.628   6.548
   11    HA   ILE 251           HA       ILE 251  63.309   1.649   8.281
   12    HB   ILE 251           HB       ILE 251  62.071   3.935   7.689
   13   1HG1  ILE 251          1HG1      ILE 251  60.602   2.399   6.074
   14   2HG1  ILE 251          2HG1      ILE 251  61.060   4.034   5.611
   15   1HG2  ILE 251          1HG2      ILE 251  64.243   2.478   6.182
   16   2HG2  ILE 251          2HG2      ILE 251  64.407   3.744   7.398
   17   3HG2  ILE 251          3HG2      ILE 251  63.804   4.142   5.790
   18   1HD1  ILE 251          1HD1      ILE 251  61.452   2.160   3.878
   19   2HD1  ILE 251          2HD1      ILE 251  62.800   1.669   4.902
   20   3HD1  ILE 251          3HD1      ILE 251  62.783   3.276   4.178
   21    H    ASN 252           H        ASN 252  62.313   3.432   9.779
   22    HA   ASN 252           HA       ASN 252  60.154   2.122  11.236
   23   1HB   ASN 252          1HB       ASN 252  62.079   4.349  11.845
   24   2HB   ASN 252          2HB       ASN 252  60.661   4.082  12.859
   25   1HD2  ASN 252          1HD2      ASN 252  62.650   1.585  11.218
   26   2HD2  ASN 252          2HD2      ASN 252  63.141   0.821  12.652
   27    H    GLU 253           H        GLU 253  60.145   4.093   8.690
   28    HA   GLU 253           HA       GLU 253  58.260   6.095   9.589
   29   1HB   GLU 253          1HB       GLU 253  59.088   5.370   6.772
   30   2HB   GLU 253          2HB       GLU 253  58.298   6.858   7.296
   31   1HG   GLU 253          1HG       GLU 253  60.543   6.644   8.947
   32   2HG   GLU 253          2HG       GLU 253  61.121   6.154   7.355
   33    H    LEU 254           H        LEU 254  58.049   2.876   8.957
   34    HA   LEU 254           HA       LEU 254  55.973   2.335   7.294
   35   1HB   LEU 254          1HB       LEU 254  57.124   1.088   9.612
   36   2HB   LEU 254          2HB       LEU 254  55.370   0.905   9.660
   37    HG   LEU 254           HG       LEU 254  55.409   0.055   7.330
   38   1HD1  LEU 254          1HD1      LEU 254  58.108  -0.658   7.007
   39   2HD1  LEU 254          2HD1      LEU 254  58.136   1.035   7.501
   40   3HD1  LEU 254          3HD1      LEU 254  57.217   0.546   6.077
   41   1HD2  LEU 254          1HD2      LEU 254  57.274  -1.875   8.233
   42   2HD2  LEU 254          2HD2      LEU 254  55.517  -1.936   8.383
   43   3HD2  LEU 254          3HD2      LEU 254  56.489  -1.235   9.678
   44    H    LEU 255           H        LEU 255  55.866   4.241  10.153
   45    HA   LEU 255           HA       LEU 255  52.932   4.193  10.246
   46   1HB   LEU 255          1HB       LEU 255  54.937   5.506  12.098
   47   2HB   LEU 255          2HB       LEU 255  53.192   5.463  12.339
   48    HG   LEU 255           HG       LEU 255  54.616   2.869  11.899
   49   1HD1  LEU 255          1HD1      LEU 255  54.772   2.895  14.532
   50   2HD1  LEU 255          2HD1      LEU 255  54.859   4.642  14.307
   51   3HD1  LEU 255          3HD1      LEU 255  56.070   3.595  13.566
   52   1HD2  LEU 255          1HD2      LEU 255  52.323   3.748  13.684
   53   2HD2  LEU 255          2HD2      LEU 255  52.855   2.085  13.436
   54   3HD2  LEU 255          3HD2      LEU 255  52.148   2.993  12.100
   55    H    HIS 256           H        HIS 256  55.672   6.375   9.752
   56    HA   HIS 256           HA       HIS 256  53.964   8.665   9.267
   57   1HB   HIS 256          1HB       HIS 256  56.941   8.324   8.825
   58   2HB   HIS 256          2HB       HIS 256  56.055   9.850   8.810
   59    HD2  HIS 256           HD2      HIS 256  54.539   7.905  11.616
   60    HE1  HIS 256           HE1      HIS 256  57.786   9.935  13.395
   61    HE2  HIS 256           HE2      HIS 256  55.668   8.616  13.864
   62    H    ILE 257           H        ILE 257  56.564   7.326   7.241
   63    HA   ILE 257           HA       ILE 257  55.876   8.369   4.839
   64    HB   ILE 257           HB       ILE 257  57.100   5.756   5.607
   65   1HG1  ILE 257          1HG1      ILE 257  58.159   8.179   5.379
   66   2HG1  ILE 257          2HG1      ILE 257  59.057   6.756   4.852
   67   1HG2  ILE 257          1HG2      ILE 257  57.494   5.436   3.070
   68   2HG2  ILE 257          2HG2      ILE 257  56.104   6.500   2.854
   69   3HG2  ILE 257          3HG2      ILE 257  55.921   4.971   3.715
   70   1HD1  ILE 257          1HD1      ILE 257  57.255   8.252   2.948
   71   2HD1  ILE 257          2HD1      ILE 257  58.592   7.164   2.572
   72   3HD1  ILE 257          3HD1      ILE 257  58.918   8.769   3.225
   73    H    LEU 258           H        LEU 258  54.396   5.545   6.383
   74    HA   LEU 258           HA       LEU 258  52.841   4.507   4.404
   75   1HB   LEU 258          1HB       LEU 258  52.708   4.657   7.289
   76   2HB   LEU 258          2HB       LEU 258  51.092   4.703   6.588
   77    HG   LEU 258           HG       LEU 258  51.871   2.388   7.038
   78   1HD1  LEU 258          1HD1      LEU 258  51.847   2.132   4.180
   79   2HD1  LEU 258          2HD1      LEU 258  50.745   3.426   4.647
   80   3HD1  LEU 258          3HD1      LEU 258  50.543   1.810   5.322
   81   1HD2  LEU 258          1HD2      LEU 258  53.689   2.253   4.763
   82   2HD2  LEU 258          2HD2      LEU 258  53.911   1.652   6.406
   83   3HD2  LEU 258          3HD2      LEU 258  54.291   3.330   6.021
   84    H    VAL 259           H        VAL 259  52.695   7.723   5.552
   85    HA   VAL 259           HA       VAL 259  50.081   8.510   5.327
   86    HB   VAL 259           HB       VAL 259  50.984  10.686   4.412
   87   1HG1  VAL 259          1HG1      VAL 259  51.545   9.359   6.924
   88   2HG1  VAL 259          2HG1      VAL 259  51.172  11.057   6.624
   89   3HG1  VAL 259          3HG1      VAL 259  52.839  10.489   6.524
   90   1HG2  VAL 259          1HG2      VAL 259  52.937   9.294   3.280
   91   2HG2  VAL 259          2HG2      VAL 259  53.730   9.554   4.832
   92   3HG2  VAL 259          3HG2      VAL 259  53.229  10.934   3.856
   93    H    PHE 260           H        PHE 260  52.173   7.402   2.778
   94    HA   PHE 260           HA       PHE 260  50.472   8.391   0.648
   95   1HB   PHE 260          1HB       PHE 260  52.892   6.585   0.708
   96   2HB   PHE 260          2HB       PHE 260  52.001   6.935  -0.775
   97    HD1  PHE 260           HD1      PHE 260  54.335   8.215   1.711
   98    HD2  PHE 260           HD2      PHE 260  51.812   9.296  -1.593
   99    HE1  PHE 260           HE1      PHE 260  55.538  10.370   1.499
  100    HE2  PHE 260           HE2      PHE 260  53.018  11.452  -1.807
  101    HZ   PHE 260           HZ       PHE 260  54.882  11.990  -0.262
  102    H    GLY 261           H        GLY 261  50.804   5.516   2.565
  103   1HA   GLY 261          1HA       GLY 261  49.012   4.002   0.792
  104   2HA   GLY 261          2HA       GLY 261  49.924   3.345   2.148
  105    H    GLU 262           H        GLU 262  48.909   6.008   3.514
  106    HA   GLU 262           HA       GLU 262  46.626   4.724   4.775
  107   1HB   GLU 262          1HB       GLU 262  48.044   7.343   5.309
  108   2HB   GLU 262          2HB       GLU 262  46.684   6.741   6.260
  109   1HG   GLU 262          1HG       GLU 262  48.872   4.798   5.843
  110   2HG   GLU 262          2HG       GLU 262  49.296   6.196   6.829
  111    H    SER 263           H        SER 263  47.228   7.898   3.246
  112    HA   SER 263           HA       SER 263  44.627   8.840   3.185
  113   1HB   SER 263          1HB       SER 263  46.870   9.219   1.196
  114   2HB   SER 263          2HB       SER 263  45.354  10.114   1.131
  115    HG   SER 263           HG       SER 263  47.401  10.820   2.463
  116    H    LEU 264           H        LEU 264  46.249   6.656   0.918
  117    HA   LEU 264           HA       LEU 264  44.506   6.485  -1.164
  118   1HB   LEU 264          1HB       LEU 264  46.314   4.596   0.183
  119   2HB   LEU 264          2HB       LEU 264  45.002   3.817  -0.699
  120    HG   LEU 264           HG       LEU 264  47.070   4.215  -2.081
  121   1HD1  LEU 264          1HD1      LEU 264  45.336   5.913  -3.595
  122   2HD1  LEU 264          2HD1      LEU 264  44.337   4.750  -2.725
  123   3HD1  LEU 264          3HD1      LEU 264  45.618   4.185  -3.796
  124   1HD2  LEU 264          1HD2      LEU 264  47.983   6.286  -2.325
  125   2HD2  LEU 264          2HD2      LEU 264  47.105   6.661  -0.843
  126   3HD2  LEU 264          3HD2      LEU 264  46.408   7.074  -2.409
  127    H    LEU 265           H        LEU 265  43.996   5.371   2.110
  128    HA   LEU 265           HA       LEU 265  41.557   3.946   1.470
  129   1HB   LEU 265          1HB       LEU 265  43.041   3.240   3.338
  130   2HB   LEU 265          2HB       LEU 265  42.690   4.758   4.161
  131    HG   LEU 265           HG       LEU 265  40.274   4.168   4.186
  132   1HD1  LEU 265          1HD1      LEU 265  39.808   2.721   2.444
  133   2HD1  LEU 265          2HD1      LEU 265  39.986   1.551   3.751
  134   3HD1  LEU 265          3HD1      LEU 265  41.320   1.834   2.634
  135   1HD2  LEU 265          1HD2      LEU 265  40.693   1.970   5.640
  136   2HD2  LEU 265          2HD2      LEU 265  41.207   3.559   6.209
  137   3HD2  LEU 265          3HD2      LEU 265  42.375   2.469   5.462
  138    H    ASN 266           H        ASN 266  42.495   7.070   2.803
  139    HA   ASN 266           HA       ASN 266  39.831   7.871   3.503
  140   1HB   ASN 266          1HB       ASN 266  40.881   9.601   4.479
  141   2HB   ASN 266          2HB       ASN 266  42.393   8.827   4.008
  142   1HD2  ASN 266          1HD2      ASN 266  43.296   9.486   1.827
  143   2HD2  ASN 266          2HD2      ASN 266  42.957  11.045   1.248
  144    H    ASP 267           H        ASP 267  41.741   7.891   0.619
  145    HA   ASP 267           HA       ASP 267  40.006   9.818  -0.726
  146   1HB   ASP 267          1HB       ASP 267  42.667   8.726  -1.152
  147   2HB   ASP 267          2HB       ASP 267  41.698   8.680  -2.624
  148    H    ALA 268           H        ALA 268  40.049   6.528  -0.080
  149    HA   ALA 268           HA       ALA 268  38.662   5.774  -2.552
  150   1HB   ALA 268          1HB       ALA 268  38.850   3.480  -1.710
  151   2HB   ALA 268          2HB       ALA 268  39.519   4.081  -0.192
  152   3HB   ALA 268          3HB       ALA 268  40.425   4.274  -1.695
  153    H    VAL 269           H        VAL 269  38.135   6.184   0.897
  154    HA   VAL 269           HA       VAL 269  35.426   5.158   0.797
  155    HB   VAL 269           HB       VAL 269  37.044   6.516   2.959
  156   1HG1  VAL 269          1HG1      VAL 269  34.854   7.139   3.527
  157   2HG1  VAL 269          2HG1      VAL 269  35.043   5.605   4.376
  158   3HG1  VAL 269          3HG1      VAL 269  34.157   5.665   2.851
  159   1HG2  VAL 269          1HG2      VAL 269  35.929   3.706   2.859
  160   2HG2  VAL 269          2HG2      VAL 269  37.192   4.338   3.915
  161   3HG2  VAL 269          3HG2      VAL 269  37.515   4.105   2.196
  162    H    THR 270           H        THR 270  36.898   8.008  -0.105
  163    HA   THR 270           HA       THR 270  34.704   9.767   0.672
  164    HB   THR 270           HB       THR 270  37.218  10.396   0.584
  165    HG1  THR 270           HG1      THR 270  36.396  12.477  -0.558
  166   1HG2  THR 270          1HG2      THR 270  36.558  10.988  -2.294
  167   2HG2  THR 270          2HG2      THR 270  37.313   9.462  -1.832
  168   3HG2  THR 270          3HG2      THR 270  38.133  10.989  -1.502
  169    H    VAL 271           H        VAL 271  35.741   7.868  -2.023
  170    HA   VAL 271           HA       VAL 271  34.654   9.150  -4.212
  171    HB   VAL 271           HB       VAL 271  34.382   6.939  -5.215
  172   1HG1  VAL 271          1HG1      VAL 271  36.677   7.915  -4.833
  173   2HG1  VAL 271          2HG1      VAL 271  36.654   6.156  -4.945
  174   3HG1  VAL 271          3HG1      VAL 271  36.786   6.938  -3.370
  175   1HG2  VAL 271          1HG2      VAL 271  34.322   6.141  -2.337
  176   2HG2  VAL 271          2HG2      VAL 271  35.079   5.025  -3.473
  177   3HG2  VAL 271          3HG2      VAL 271  33.396   5.505  -3.696
  178    H    VAL 272           H        VAL 272  33.043   8.078  -1.436
  179    HA   VAL 272           HA       VAL 272  30.452   7.762  -2.745
  180    HB   VAL 272           HB       VAL 272  31.302   7.569   0.153
  181   1HG1  VAL 272          1HG1      VAL 272  28.895   6.424   0.142
  182   2HG1  VAL 272          2HG1      VAL 272  28.630   7.548  -1.191
  183   3HG1  VAL 272          3HG1      VAL 272  29.079   8.160   0.402
  184   1HG2  VAL 272          1HG2      VAL 272  31.846   5.788  -1.749
  185   2HG2  VAL 272          2HG2      VAL 272  30.163   5.331  -1.481
  186   3HG2  VAL 272          3HG2      VAL 272  31.316   5.269  -0.148
  187    H    LEU 273           H        LEU 273  32.326  10.172  -1.154
  188    HA   LEU 273           HA       LEU 273  30.031  11.848  -0.510
  189   1HB   LEU 273          1HB       LEU 273  33.011  12.109  -0.162
  190   2HB   LEU 273          2HB       LEU 273  31.952  13.497   0.067
  191    HG   LEU 273           HG       LEU 273  32.450  12.219   2.185
  192   1HD1  LEU 273          1HD1      LEU 273  30.030  13.312   1.314
  193   2HD1  LEU 273          2HD1      LEU 273  30.449  12.907   2.976
  194   3HD1  LEU 273          3HD1      LEU 273  29.577  11.745   1.980
  195   1HD2  LEU 273          1HD2      LEU 273  32.380   9.982   0.921
  196   2HD2  LEU 273          2HD2      LEU 273  30.624  10.102   1.035
  197   3HD2  LEU 273          3HD2      LEU 273  31.600  10.022   2.502
  198    H    TYR 274           H        TYR 274  32.462  11.494  -2.982
  199    HA   TYR 274           HA       TYR 274  31.807  14.046  -4.235
  200   1HB   TYR 274          1HB       TYR 274  33.978  13.764  -4.789
  201   2HB   TYR 274          2HB       TYR 274  33.924  12.030  -4.473
  202    HD1  TYR 274           HD1      TYR 274  33.087  10.456  -6.219
  203    HD2  TYR 274           HD2      TYR 274  33.605  14.651  -6.993
  204    HE1  TYR 274           HE1      TYR 274  32.974  10.021  -8.657
  205    HE2  TYR 274           HE2      TYR 274  33.490  14.214  -9.431
  206    HH   TYR 274           HH       TYR 274  33.820  11.182 -10.772
  207    H    LYS 275           H        LYS 275  31.462  10.579  -4.881
  208    HA   LYS 275           HA       LYS 275  30.216  10.823  -7.403
  209   1HB   LYS 275          1HB       LYS 275  31.204   8.722  -6.591
  210   2HB   LYS 275          2HB       LYS 275  29.963   8.617  -5.342
  211   1HG   LYS 275          1HG       LYS 275  28.349   7.956  -6.816
  212   2HG   LYS 275          2HG       LYS 275  28.955   8.997  -8.102
  213   1HD   LYS 275          1HD       LYS 275  30.524   6.578  -7.237
  214   2HD   LYS 275          2HD       LYS 275  29.193   6.418  -8.381
  215   1HE   LYS 275          1HE       LYS 275  31.117   8.611  -8.932
  216   2HE   LYS 275          2HE       LYS 275  31.731   6.970  -9.146
  217   1HZ   LYS 275          1HZ       LYS 275  30.644   7.992 -11.142
  218   2HZ   LYS 275          2HZ       LYS 275  29.167   7.895 -10.307
  219   3HZ   LYS 275          3HZ       LYS 275  30.030   6.480 -10.680
  220    H    LYS 276           H        LYS 276  28.953  10.773  -4.107
  221    HA   LYS 276           HA       LYS 276  26.791  10.967  -3.299
  222   1HB   LYS 276          1HB       LYS 276  27.157  13.146  -5.332
  223   2HB   LYS 276          2HB       LYS 276  25.617  12.975  -4.487
  224   1HG   LYS 276          1HG       LYS 276  26.527  13.513  -2.427
  225   2HG   LYS 276          2HG       LYS 276  28.127  12.911  -2.861
  226   1HD   LYS 276          1HD       LYS 276  28.112  15.379  -2.714
  227   2HD   LYS 276          2HD       LYS 276  28.458  14.839  -4.358
  228   1HE   LYS 276          1HE       LYS 276  26.230  15.315  -5.084
  229   2HE   LYS 276          2HE       LYS 276  25.664  15.532  -3.427
  230   1HZ   LYS 276          1HZ       LYS 276  26.315  17.638  -3.443
  231   2HZ   LYS 276          2HZ       LYS 276  26.588  17.488  -5.113
  232   3HZ   LYS 276          3HZ       LYS 276  27.862  17.242  -4.015
  233   1HN   NH2 277          1HN       NH2 277  27.152   9.158  -5.818
  234   2HN   NH2 277          2HN       NH2 277  25.555   8.994  -6.397
  Start of MODEL   54
    1   1H    HIS 250          1H        HIS 250  44.288  -8.536  -4.130
    2   2H    HIS 250          2H        HIS 250  44.810  -7.749  -2.718
    3   3H    HIS 250          3H        HIS 250  43.226  -8.354  -2.821
    4    HA   HIS 250           HA       HIS 250  43.921 -10.216  -1.876
    5   1HB   HIS 250          1HB       HIS 250  45.804 -10.510  -4.229
    6   2HB   HIS 250          2HB       HIS 250  45.056 -11.796  -3.282
    7    HD2  HIS 250           HD2      HIS 250  41.933 -11.062  -3.406
    8    HE1  HIS 250           HE1      HIS 250  42.429 -10.592  -7.572
    9    HE2  HIS 250           HE2      HIS 250  40.726 -10.917  -5.717
   10    H    ILE 251           H        ILE 251  46.164 -11.577  -1.474
   11    HA   ILE 251           HA       ILE 251  47.647  -9.971   0.313
   12    HB   ILE 251           HB       ILE 251  48.915 -11.897   0.793
   13   1HG1  ILE 251          1HG1      ILE 251  49.782 -12.463  -1.406
   14   2HG1  ILE 251          2HG1      ILE 251  48.958 -13.877  -0.764
   15   1HG2  ILE 251          1HG2      ILE 251  47.251 -13.619   1.053
   16   2HG2  ILE 251          2HG2      ILE 251  46.303 -12.978  -0.289
   17   3HG2  ILE 251          3HG2      ILE 251  46.436 -12.062   1.213
   18   1HD1  ILE 251          1HD1      ILE 251  48.247 -13.658  -3.039
   19   2HD1  ILE 251          2HD1      ILE 251  47.922 -11.938  -2.844
   20   3HD1  ILE 251          3HD1      ILE 251  46.895 -13.127  -2.043
   21    H    ASN 252           H        ASN 252  47.680  -9.732  -2.911
   22    HA   ASN 252           HA       ASN 252  50.562  -9.518  -3.295
   23   1HB   ASN 252          1HB       ASN 252  48.157  -9.309  -5.075
   24   2HB   ASN 252          2HB       ASN 252  49.707  -8.659  -5.611
   25   1HD2  ASN 252          1HD2      ASN 252  49.645 -11.452  -3.466
   26   2HD2  ASN 252          2HD2      ASN 252  50.130 -12.586  -4.632
   27    H    GLU 253           H        GLU 253  48.116  -7.572  -2.096
   28    HA   GLU 253           HA       GLU 253  49.258  -5.068  -3.088
   29   1HB   GLU 253          1HB       GLU 253  46.957  -5.402  -1.163
   30   2HB   GLU 253          2HB       GLU 253  47.342  -4.004  -2.167
   31   1HG   GLU 253          1HG       GLU 253  46.460  -6.729  -3.154
   32   2HG   GLU 253          2HG       GLU 253  45.500  -5.251  -3.179
   33    H    LEU 254           H        LEU 254  49.929  -7.224  -0.709
   34    HA   LEU 254           HA       LEU 254  50.173  -6.015   1.705
   35   1HB   LEU 254          1HB       LEU 254  51.768  -7.990   0.214
   36   2HB   LEU 254          2HB       LEU 254  52.659  -7.160   1.486
   37    HG   LEU 254           HG       LEU 254  51.500  -9.260   2.256
   38   1HD1  LEU 254          1HD1      LEU 254  50.049  -7.162   3.745
   39   2HD1  LEU 254          2HD1      LEU 254  51.782  -6.881   3.587
   40   3HD1  LEU 254          3HD1      LEU 254  51.195  -8.367   4.327
   41   1HD2  LEU 254          1HD2      LEU 254  49.257  -9.577   2.003
   42   2HD2  LEU 254          2HD2      LEU 254  49.431  -8.395   0.708
   43   3HD2  LEU 254          3HD2      LEU 254  48.884  -7.880   2.303
   44    H    LEU 255           H        LEU 255  51.762  -5.115  -1.224
   45    HA   LEU 255           HA       LEU 255  53.570  -3.279   0.186
   46   1HB   LEU 255          1HB       LEU 255  54.053  -2.936  -2.502
   47   2HB   LEU 255          2HB       LEU 255  54.948  -4.020  -1.441
   48    HG   LEU 255           HG       LEU 255  52.416  -4.867  -2.870
   49   1HD1  LEU 255          1HD1      LEU 255  53.919  -5.964  -4.516
   50   2HD1  LEU 255          2HD1      LEU 255  55.299  -5.169  -3.758
   51   3HD1  LEU 255          3HD1      LEU 255  54.058  -4.207  -4.560
   52   1HD2  LEU 255          1HD2      LEU 255  54.423  -6.894  -2.337
   53   2HD2  LEU 255          2HD2      LEU 255  52.743  -6.836  -1.810
   54   3HD2  LEU 255          3HD2      LEU 255  53.994  -6.049  -0.851
   55    H    HIS 256           H        HIS 256  50.788  -3.347  -1.949
   56    HA   HIS 256           HA       HIS 256  50.841  -0.481  -2.397
   57   1HB   HIS 256          1HB       HIS 256  48.988  -2.708  -3.209
   58   2HB   HIS 256          2HB       HIS 256  48.553  -1.017  -3.459
   59    HD2  HIS 256           HD2      HIS 256  52.073  -2.765  -4.153
   60    HE1  HIS 256           HE1      HIS 256  50.793  -0.766  -7.644
   61    HE2  HIS 256           HE2      HIS 256  52.677  -2.119  -6.609
   62    H    ILE 257           H        ILE 257  48.018  -2.378  -1.408
   63    HA   ILE 257           HA       ILE 257  46.580  -0.504  -0.117
   64    HB   ILE 257           HB       ILE 257  46.758  -3.389   0.010
   65   1HG1  ILE 257          1HG1      ILE 257  44.310  -3.144   0.225
   66   2HG1  ILE 257          2HG1      ILE 257  44.514  -1.419   0.528
   67   1HG2  ILE 257          1HG2      ILE 257  47.271  -3.117   2.390
   68   2HG2  ILE 257          2HG2      ILE 257  45.610  -3.668   2.198
   69   3HG2  ILE 257          3HG2      ILE 257  45.931  -1.977   2.571
   70   1HD1  ILE 257          1HD1      ILE 257  45.949  -2.155  -1.865
   71   2HD1  ILE 257          2HD1      ILE 257  44.630  -1.001  -1.679
   72   3HD1  ILE 257          3HD1      ILE 257  44.277  -2.702  -1.983
   73    H    LEU 258           H        LEU 258  49.344  -2.238   1.286
   74    HA   LEU 258           HA       LEU 258  49.276  -1.477   3.895
   75   1HB   LEU 258          1HB       LEU 258  51.382  -2.097   1.977
   76   2HB   LEU 258          2HB       LEU 258  51.925  -0.959   3.209
   77    HG   LEU 258           HG       LEU 258  52.266  -3.346   3.862
   78   1HD1  LEU 258          1HD1      LEU 258  50.340  -2.758   5.896
   79   2HD1  LEU 258          2HD1      LEU 258  51.079  -1.245   5.375
   80   3HD1  LEU 258          3HD1      LEU 258  52.092  -2.565   5.959
   81   1HD2  LEU 258          1HD2      LEU 258  49.784  -3.737   2.746
   82   2HD2  LEU 258          2HD2      LEU 258  49.411  -3.748   4.469
   83   3HD2  LEU 258          3HD2      LEU 258  50.592  -4.882   3.815
   84    H    VAL 259           H        VAL 259  51.268   0.461   1.669
   85    HA   VAL 259           HA       VAL 259  50.716   2.821   3.311
   86    HB   VAL 259           HB       VAL 259  52.655   2.382   1.027
   87   1HG1  VAL 259          1HG1      VAL 259  53.558   4.570   2.319
   88   2HG1  VAL 259          2HG1      VAL 259  51.828   4.774   2.593
   89   3HG1  VAL 259          3HG1      VAL 259  52.453   4.668   0.947
   90   1HG2  VAL 259          1HG2      VAL 259  54.213   1.820   2.599
   91   2HG2  VAL 259          2HG2      VAL 259  52.804   1.392   3.569
   92   3HG2  VAL 259          3HG2      VAL 259  53.575   2.964   3.781
   93    H    PHE 260           H        PHE 260  50.820   2.108  -0.197
   94    HA   PHE 260           HA       PHE 260  49.651   4.396  -1.160
   95   1HB   PHE 260          1HB       PHE 260  50.195   3.081  -2.929
   96   2HB   PHE 260          2HB       PHE 260  49.792   1.591  -2.078
   97    HD1  PHE 260           HD1      PHE 260  47.470   0.770  -1.993
   98    HD2  PHE 260           HD2      PHE 260  48.522   4.312  -4.184
   99    HE1  PHE 260           HE1      PHE 260  45.291   0.686  -3.175
  100    HE2  PHE 260           HE2      PHE 260  46.343   4.228  -5.365
  101    HZ   PHE 260           HZ       PHE 260  44.727   2.415  -4.861
  102    H    GLY 261           H        GLY 261  48.232   2.169   0.962
  103   1HA   GLY 261          1HA       GLY 261  45.496   3.002   0.238
  104   2HA   GLY 261          2HA       GLY 261  45.909   1.612   1.236
  105    H    GLU 262           H        GLU 262  47.876   3.055   2.846
  106    HA   GLU 262           HA       GLU 262  46.104   4.078   4.837
  107   1HB   GLU 262          1HB       GLU 262  47.947   4.169   6.234
  108   2HB   GLU 262          2HB       GLU 262  48.466   2.949   5.076
  109   1HG   GLU 262          1HG       GLU 262  50.327   4.336   5.121
  110   2HG   GLU 262          2HG       GLU 262  49.438   5.024   3.768
  111    H    SER 263           H        SER 263  47.940   5.506   2.260
  112    HA   SER 263           HA       SER 263  47.676   8.208   3.316
  113   1HB   SER 263          1HB       SER 263  49.702   7.660   2.083
  114   2HB   SER 263          2HB       SER 263  48.752   7.160   0.686
  115    HG   SER 263           HG       SER 263  49.327   9.243   0.298
  116    H    LEU 264           H        LEU 264  46.344   6.218   0.707
  117    HA   LEU 264           HA       LEU 264  44.508   8.360  -0.070
  118   1HB   LEU 264          1HB       LEU 264  44.615   5.567  -1.205
  119   2HB   LEU 264          2HB       LEU 264  43.977   7.028  -1.960
  120    HG   LEU 264           HG       LEU 264  46.880   6.430  -1.328
  121   1HD1  LEU 264          1HD1      LEU 264  45.526   5.547  -3.445
  122   2HD1  LEU 264          2HD1      LEU 264  47.178   6.142  -3.605
  123   3HD1  LEU 264          3HD1      LEU 264  45.821   7.188  -4.022
  124   1HD2  LEU 264          1HD2      LEU 264  46.679   8.745  -0.916
  125   2HD2  LEU 264          2HD2      LEU 264  45.459   8.954  -2.173
  126   3HD2  LEU 264          3HD2      LEU 264  47.143   8.677  -2.617
  127    H    LEU 265           H        LEU 265  44.586   6.103   2.302
  128    HA   LEU 265           HA       LEU 265  42.303   4.634   2.353
  129   1HB   LEU 265          1HB       LEU 265  44.116   5.575   4.275
  130   2HB   LEU 265          2HB       LEU 265  42.524   6.049   4.868
  131    HG   LEU 265           HG       LEU 265  43.307   3.259   3.971
  132   1HD1  LEU 265          1HD1      LEU 265  43.999   2.926   6.085
  133   2HD1  LEU 265          2HD1      LEU 265  42.427   3.446   6.692
  134   3HD1  LEU 265          3HD1      LEU 265  43.710   4.630   6.437
  135   1HD2  LEU 265          1HD2      LEU 265  40.747   4.586   4.418
  136   2HD2  LEU 265          2HD2      LEU 265  40.951   3.189   5.473
  137   3HD2  LEU 265          3HD2      LEU 265  41.073   2.998   3.725
  138    H    ASN 266           H        ASN 266  42.353   7.879   3.840
  139    HA   ASN 266           HA       ASN 266  39.627   8.232   4.091
  140   1HB   ASN 266          1HB       ASN 266  41.976   9.912   4.162
  141   2HB   ASN 266          2HB       ASN 266  40.633  10.761   3.399
  142   1HD2  ASN 266          1HD2      ASN 266  41.393   8.816   6.335
  143   2HD2  ASN 266          2HD2      ASN 266  40.274   9.616   7.330
  144    H    ASP 267           H        ASP 267  41.604   8.451   1.230
  145    HA   ASP 267           HA       ASP 267  39.492   9.700  -0.340
  146   1HB   ASP 267          1HB       ASP 267  42.134   8.567  -1.280
  147   2HB   ASP 267          2HB       ASP 267  41.078   9.670  -2.159
  148    H    ALA 268           H        ALA 268  39.965   6.683   0.821
  149    HA   ALA 268           HA       ALA 268  39.240   5.218  -1.599
  150   1HB   ALA 268          1HB       ALA 268  39.468   4.136   1.213
  151   2HB   ALA 268          2HB       ALA 268  40.857   4.329   0.144
  152   3HB   ALA 268          3HB       ALA 268  39.547   3.237  -0.302
  153    H    VAL 269           H        VAL 269  37.800   6.363   1.390
  154    HA   VAL 269           HA       VAL 269  35.474   4.907   1.560
  155    HB   VAL 269           HB       VAL 269  36.293   6.839   3.046
  156   1HG1  VAL 269          1HG1      VAL 269  36.176   8.376   0.904
  157   2HG1  VAL 269          2HG1      VAL 269  35.745   9.033   2.483
  158   3HG1  VAL 269          3HG1      VAL 269  34.480   8.535   1.359
  159   1HG2  VAL 269          1HG2      VAL 269  33.996   7.314   3.792
  160   2HG2  VAL 269          2HG2      VAL 269  34.165   5.608   3.382
  161   3HG2  VAL 269          3HG2      VAL 269  33.363   6.708   2.262
  162    H    THR 270           H        THR 270  36.401   7.208  -0.861
  163    HA   THR 270           HA       THR 270  33.833   7.848  -1.878
  164    HB   THR 270           HB       THR 270  34.962   8.819  -3.697
  165    HG1  THR 270           HG1      THR 270  36.366   7.646  -4.688
  166   1HG2  THR 270          1HG2      THR 270  35.660   9.595  -1.329
  167   2HG2  THR 270          2HG2      THR 270  36.665  10.099  -2.687
  168   3HG2  THR 270          3HG2      THR 270  37.180   8.763  -1.657
  169    H    VAL 271           H        VAL 271  35.229   4.900  -1.639
  170    HA   VAL 271           HA       VAL 271  34.072   3.897  -4.167
  171    HB   VAL 271           HB       VAL 271  36.077   2.587  -2.316
  172   1HG1  VAL 271          1HG1      VAL 271  34.802   1.773  -4.935
  173   2HG1  VAL 271          2HG1      VAL 271  34.840   0.873  -3.419
  174   3HG1  VAL 271          3HG1      VAL 271  36.315   1.067  -4.366
  175   1HG2  VAL 271          1HG2      VAL 271  37.118   3.042  -4.909
  176   2HG2  VAL 271          2HG2      VAL 271  37.605   3.833  -3.410
  177   3HG2  VAL 271          3HG2      VAL 271  36.348   4.551  -4.418
  178    H    VAL 272           H        VAL 272  34.719   2.320  -1.053
  179    HA   VAL 272           HA       VAL 272  32.607   0.565  -1.057
  180    HB   VAL 272           HB       VAL 272  34.415   0.551   0.624
  181   1HG1  VAL 272          1HG1      VAL 272  34.023   3.178   0.906
  182   2HG1  VAL 272          2HG1      VAL 272  34.687   2.202   2.216
  183   3HG1  VAL 272          3HG1      VAL 272  32.977   2.631   2.217
  184   1HG2  VAL 272          1HG2      VAL 272  33.083  -0.285   2.397
  185   2HG2  VAL 272          2HG2      VAL 272  32.072  -0.497   0.967
  186   3HG2  VAL 272          3HG2      VAL 272  31.777   0.852   2.065
  187    H    LEU 273           H        LEU 273  32.452   3.952  -0.858
  188    HA   LEU 273           HA       LEU 273  29.823   3.959   0.437
  189   1HB   LEU 273          1HB       LEU 273  31.611   5.642   1.024
  190   2HB   LEU 273          2HB       LEU 273  31.408   6.318  -0.588
  191    HG   LEU 273           HG       LEU 273  28.837   6.318   0.132
  192   1HD1  LEU 273          1HD1      LEU 273  30.147   6.902   2.779
  193   2HD1  LEU 273          2HD1      LEU 273  29.652   5.257   2.380
  194   3HD1  LEU 273          3HD1      LEU 273  28.453   6.550   2.436
  195   1HD2  LEU 273          1HD2      LEU 273  30.984   8.311   0.893
  196   2HD2  LEU 273          2HD2      LEU 273  29.262   8.660   1.050
  197   3HD2  LEU 273          3HD2      LEU 273  29.953   8.328  -0.538
  198    H    TYR 274           H        TYR 274  31.328   4.964  -2.638
  199    HA   TYR 274           HA       TYR 274  28.719   5.508  -3.816
  200   1HB   TYR 274          1HB       TYR 274  31.560   5.741  -4.790
  201   2HB   TYR 274          2HB       TYR 274  30.192   5.916  -5.888
  202    HD1  TYR 274           HD1      TYR 274  28.974   7.936  -5.999
  203    HD2  TYR 274           HD2      TYR 274  31.644   7.225  -2.714
  204    HE1  TYR 274           HE1      TYR 274  28.669  10.280  -5.246
  205    HE2  TYR 274           HE2      TYR 274  31.341   9.571  -1.958
  206    HH   TYR 274           HH       TYR 274  30.043  11.959  -3.866
  207    H    LYS 275           H        LYS 275  31.491   3.577  -4.916
  208    HA   LYS 275           HA       LYS 275  29.905   1.961  -6.650
  209   1HB   LYS 275          1HB       LYS 275  32.623   1.162  -5.652
  210   2HB   LYS 275          2HB       LYS 275  31.907   0.899  -7.239
  211   1HG   LYS 275          1HG       LYS 275  32.797   3.574  -6.098
  212   2HG   LYS 275          2HG       LYS 275  33.607   2.668  -7.372
  213   1HD   LYS 275          1HD       LYS 275  30.829   3.882  -7.521
  214   2HD   LYS 275          2HD       LYS 275  32.267   4.448  -8.364
  215   1HE   LYS 275          1HE       LYS 275  32.332   1.972  -9.282
  216   2HE   LYS 275          2HE       LYS 275  30.615   2.001  -8.883
  217   1HZ   LYS 275          1HZ       LYS 275  30.292   3.883 -10.274
  218   2HZ   LYS 275          2HZ       LYS 275  31.150   2.731 -11.180
  219   3HZ   LYS 275          3HZ       LYS 275  31.959   4.074 -10.525
  220    H    LYS 276           H        LYS 276  30.770   1.736  -3.297
  221    HA   LYS 276           HA       LYS 276  30.422   0.086  -1.721
  222   1HB   LYS 276          1HB       LYS 276  28.019  -0.045  -3.521
  223   2HB   LYS 276          2HB       LYS 276  28.173  -1.142  -2.146
  224   1HG   LYS 276          1HG       LYS 276  28.707   1.755  -1.661
  225   2HG   LYS 276          2HG       LYS 276  27.027   1.263  -1.892
  226   1HD   LYS 276          1HD       LYS 276  27.235  -0.398  -0.109
  227   2HD   LYS 276          2HD       LYS 276  28.941   0.002   0.090
  228   1HE   LYS 276          1HE       LYS 276  28.359   1.619   1.543
  229   2HE   LYS 276          2HE       LYS 276  27.511   2.447   0.237
  230   1HZ   LYS 276          1HZ       LYS 276  26.435   1.065   2.454
  231   2HZ   LYS 276          2HZ       LYS 276  25.893   0.343   1.014
  232   3HZ   LYS 276          3HZ       LYS 276  25.632   1.999   1.289
  233   1HN   NH2 277          1HN       NH2 277  31.621  -0.728  -4.610
  234   2HN   NH2 277          2HN       NH2 277  31.665  -2.429  -4.472
  Start of MODEL   55
    1   1H    HIS 250          1H        HIS 250  43.040   0.332 -17.031
    2   2H    HIS 250          2H        HIS 250  43.322   0.980 -18.576
    3   3H    HIS 250          3H        HIS 250  41.894   1.363 -17.738
    4    HA   HIS 250           HA       HIS 250  44.036   2.943 -17.798
    5   1HB   HIS 250          1HB       HIS 250  41.851   2.522 -15.773
    6   2HB   HIS 250          2HB       HIS 250  43.064   3.776 -15.516
    7    HD2  HIS 250           HD2      HIS 250  42.124   3.291 -19.236
    8    HE1  HIS 250           HE1      HIS 250  39.997   6.672 -17.868
    9    HE2  HIS 250           HE2      HIS 250  40.653   5.336 -19.925
   10    H    ILE 251           H        ILE 251  45.895   3.325 -16.666
   11    HA   ILE 251           HA       ILE 251  46.646   1.356 -14.586
   12    HB   ILE 251           HB       ILE 251  48.659   2.649 -16.397
   13   1HG1  ILE 251          1HG1      ILE 251  48.360   0.206 -17.519
   14   2HG1  ILE 251          2HG1      ILE 251  46.689   0.519 -17.053
   15   1HG2  ILE 251          1HG2      ILE 251  48.948   1.125 -14.186
   16   2HG2  ILE 251          2HG2      ILE 251  50.091   1.079 -15.528
   17   3HG2  ILE 251          3HG2      ILE 251  48.832  -0.148 -15.400
   18   1HD1  ILE 251          1HD1      ILE 251  46.897   1.427 -19.242
   19   2HD1  ILE 251          2HD1      ILE 251  48.455   2.165 -18.870
   20   3HD1  ILE 251          3HD1      ILE 251  46.978   2.818 -18.160
   21    H    ASN 252           H        ASN 252  49.257   2.940 -14.613
   22    HA   ASN 252           HA       ASN 252  48.764   4.528 -12.335
   23   1HB   ASN 252          1HB       ASN 252  51.123   5.133 -14.039
   24   2HB   ASN 252          2HB       ASN 252  51.026   4.871 -12.298
   25   1HD2  ASN 252          1HD2      ASN 252  49.914   2.374 -12.039
   26   2HD2  ASN 252          2HD2      ASN 252  50.858   1.206 -12.830
   27    H    GLU 253           H        GLU 253  47.566   5.145 -15.247
   28    HA   GLU 253           HA       GLU 253  48.279   7.956 -15.474
   29   1HB   GLU 253          1HB       GLU 253  46.030   7.052 -17.105
   30   2HB   GLU 253          2HB       GLU 253  47.554   7.789 -17.598
   31   1HG   GLU 253          1HG       GLU 253  48.641   5.523 -17.140
   32   2HG   GLU 253          2HG       GLU 253  47.005   4.872 -17.025
   33    H    LEU 254           H        LEU 254  45.199   6.165 -15.158
   34    HA   LEU 254           HA       LEU 254  43.902   8.576 -14.155
   35   1HB   LEU 254          1HB       LEU 254  43.063   6.123 -15.437
   36   2HB   LEU 254          2HB       LEU 254  42.130   6.396 -13.968
   37    HG   LEU 254           HG       LEU 254  41.076   7.455 -15.947
   38   1HD1  LEU 254          1HD1      LEU 254  41.810   9.916 -14.634
   39   2HD1  LEU 254          2HD1      LEU 254  41.622   8.633 -13.440
   40   3HD1  LEU 254          3HD1      LEU 254  40.295   9.018 -14.536
   41   1HD2  LEU 254          1HD2      LEU 254  42.266   8.655 -17.440
   42   2HD2  LEU 254          2HD2      LEU 254  43.719   8.127 -16.589
   43   3HD2  LEU 254          3HD2      LEU 254  42.958   9.662 -16.168
   44    H    LEU 255           H        LEU 255  45.551   5.914 -12.860
   45    HA   LEU 255           HA       LEU 255  44.035   5.704 -10.416
   46   1HB   LEU 255          1HB       LEU 255  46.620   4.556 -11.417
   47   2HB   LEU 255          2HB       LEU 255  46.202   4.430  -9.710
   48    HG   LEU 255           HG       LEU 255  44.189   3.654 -11.806
   49   1HD1  LEU 255          1HD1      LEU 255  46.703   2.238 -11.083
   50   2HD1  LEU 255          2HD1      LEU 255  45.764   2.175 -12.574
   51   3HD1  LEU 255          3HD1      LEU 255  45.242   1.256 -11.164
   52   1HD2  LEU 255          1HD2      LEU 255  44.050   3.801  -9.084
   53   2HD2  LEU 255          2HD2      LEU 255  44.581   2.133  -9.290
   54   3HD2  LEU 255          3HD2      LEU 255  43.089   2.682 -10.050
   55    H    HIS 256           H        HIS 256  45.844   8.138 -11.568
   56    HA   HIS 256           HA       HIS 256  47.779   8.914  -9.846
   57   1HB   HIS 256          1HB       HIS 256  45.742  10.339 -11.409
   58   2HB   HIS 256          2HB       HIS 256  46.368  11.256 -10.038
   59    HD2  HIS 256           HD2      HIS 256  48.174   9.045 -12.839
   60    HE1  HIS 256           HE1      HIS 256  50.411  12.559 -12.158
   61    HE2  HIS 256           HE2      HIS 256  50.297  10.410 -13.506
   62    H    ILE 257           H        ILE 257  44.437   8.459  -9.065
   63    HA   ILE 257           HA       ILE 257  44.216  10.046  -6.762
   64    HB   ILE 257           HB       ILE 257  42.452   8.396  -6.077
   65   1HG1  ILE 257          1HG1      ILE 257  42.569   6.997  -8.658
   66   2HG1  ILE 257          2HG1      ILE 257  43.934   6.627  -7.604
   67   1HG2  ILE 257          1HG2      ILE 257  41.470   8.658  -8.685
   68   2HG2  ILE 257          2HG2      ILE 257  42.606   9.995  -8.504
   69   3HG2  ILE 257          3HG2      ILE 257  41.268   9.815  -7.370
   70   1HD1  ILE 257          1HD1      ILE 257  41.058   6.546  -6.664
   71   2HD1  ILE 257          2HD1      ILE 257  42.482   5.924  -5.828
   72   3HD1  ILE 257          3HD1      ILE 257  41.904   5.132  -7.294
   73    H    LEU 258           H        LEU 258  46.341   7.558  -7.359
   74    HA   LEU 258           HA       LEU 258  46.384   6.274  -4.805
   75   1HB   LEU 258          1HB       LEU 258  48.428   5.245  -5.553
   76   2HB   LEU 258          2HB       LEU 258  47.321   5.299  -6.924
   77    HG   LEU 258           HG       LEU 258  48.612   7.718  -7.147
   78   1HD1  LEU 258          1HD1      LEU 258  50.778   5.712  -6.513
   79   2HD1  LEU 258          2HD1      LEU 258  50.154   6.801  -5.275
   80   3HD1  LEU 258          3HD1      LEU 258  50.927   7.457  -6.717
   81   1HD2  LEU 258          1HD2      LEU 258  50.016   6.437  -8.897
   82   2HD2  LEU 258          2HD2      LEU 258  48.262   6.358  -9.060
   83   3HD2  LEU 258          3HD2      LEU 258  49.144   5.002  -8.359
   84    H    VAL 259           H        VAL 259  47.274   9.346  -5.817
   85    HA   VAL 259           HA       VAL 259  49.619  10.053  -4.654
   86    HB   VAL 259           HB       VAL 259  48.325  12.206  -3.923
   87   1HG1  VAL 259          1HG1      VAL 259  49.637  12.372  -5.859
   88   2HG1  VAL 259          2HG1      VAL 259  48.020  12.714  -6.474
   89   3HG1  VAL 259          3HG1      VAL 259  48.729  11.116  -6.698
   90   1HG2  VAL 259          1HG2      VAL 259  46.147  10.631  -4.232
   91   2HG2  VAL 259          2HG2      VAL 259  46.256  11.301  -5.859
   92   3HG2  VAL 259          3HG2      VAL 259  46.103  12.378  -4.470
   93    H    PHE 260           H        PHE 260  46.575   9.422  -2.953
   94    HA   PHE 260           HA       PHE 260  47.404  10.228  -0.384
   95   1HB   PHE 260          1HB       PHE 260  45.555   7.906  -0.673
   96   2HB   PHE 260          2HB       PHE 260  45.427   9.323   0.368
   97    HD1  PHE 260           HD1      PHE 260  45.675  11.593  -1.367
   98    HD2  PHE 260           HD2      PHE 260  43.722   7.842  -2.126
   99    HE1  PHE 260           HE1      PHE 260  44.210  12.694  -3.037
  100    HE2  PHE 260           HE2      PHE 260  42.258   8.943  -3.796
  101    HZ   PHE 260           HZ       PHE 260  42.500  11.370  -4.252
  102    H    GLY 261           H        GLY 261  47.087   6.879  -1.594
  103   1HA   GLY 261          1HA       GLY 261  48.371   5.004  -1.203
  104   2HA   GLY 261          2HA       GLY 261  49.655   6.073  -0.651
  105    H    GLU 262           H        GLU 262  49.098   7.158   1.554
  106    HA   GLU 262           HA       GLU 262  48.626   4.993   3.426
  107   1HB   GLU 262          1HB       GLU 262  49.276   6.635   5.132
  108   2HB   GLU 262          2HB       GLU 262  50.446   6.608   3.812
  109   1HG   GLU 262          1HG       GLU 262  50.149   8.855   3.754
  110   2HG   GLU 262          2HG       GLU 262  48.635   8.482   2.931
  111    H    SER 263           H        SER 263  46.989   7.892   2.309
  112    HA   SER 263           HA       SER 263  44.878   7.602   4.309
  113   1HB   SER 263          1HB       SER 263  44.779   9.823   4.029
  114   2HB   SER 263          2HB       SER 263  45.899   9.737   2.671
  115    HG   SER 263           HG       SER 263  43.093   9.674   2.713
  116    H    LEU 264           H        LEU 264  45.605   6.471   1.203
  117    HA   LEU 264           HA       LEU 264  43.337   6.442  -0.284
  118   1HB   LEU 264          1HB       LEU 264  45.642   5.104  -0.471
  119   2HB   LEU 264          2HB       LEU 264  44.622   3.782   0.101
  120    HG   LEU 264           HG       LEU 264  44.075   5.530  -2.318
  121   1HD1  LEU 264          1HD1      LEU 264  45.874   3.884  -2.669
  122   2HD1  LEU 264          2HD1      LEU 264  44.428   3.423  -3.567
  123   3HD1  LEU 264          3HD1      LEU 264  44.828   2.602  -2.059
  124   1HD2  LEU 264          1HD2      LEU 264  42.502   3.377  -0.907
  125   2HD2  LEU 264          2HD2      LEU 264  42.283   3.666  -2.633
  126   3HD2  LEU 264          3HD2      LEU 264  41.949   4.952  -1.473
  127    H    LEU 265           H        LEU 265  44.018   4.083   2.313
  128    HA   LEU 265           HA       LEU 265  41.518   2.793   2.209
  129   1HB   LEU 265          1HB       LEU 265  42.102   2.127   4.606
  130   2HB   LEU 265          2HB       LEU 265  43.265   1.675   3.359
  131    HG   LEU 265           HG       LEU 265  43.763   4.354   4.413
  132   1HD1  LEU 265          1HD1      LEU 265  43.944   1.988   6.304
  133   2HD1  LEU 265          2HD1      LEU 265  42.840   3.353   6.471
  134   3HD1  LEU 265          3HD1      LEU 265  44.579   3.603   6.620
  135   1HD2  LEU 265          1HD2      LEU 265  46.044   3.423   4.606
  136   2HD2  LEU 265          2HD2      LEU 265  45.341   3.039   3.035
  137   3HD2  LEU 265          3HD2      LEU 265  45.412   1.807   4.295
  138    H    ASN 266           H        ASN 266  42.507   5.802   3.630
  139    HA   ASN 266           HA       ASN 266  40.115   6.004   5.289
  140   1HB   ASN 266          1HB       ASN 266  42.575   7.667   4.886
  141   2HB   ASN 266          2HB       ASN 266  41.142   8.394   5.612
  142   1HD2  ASN 266          1HD2      ASN 266  43.518   5.755   6.033
  143   2HD2  ASN 266          2HD2      ASN 266  43.234   5.555   7.694
  144    H    ASP 267           H        ASP 267  41.569   7.750   2.542
  145    HA   ASP 267           HA       ASP 267  39.141   9.270   2.096
  146   1HB   ASP 267          1HB       ASP 267  41.863   9.164   0.856
  147   2HB   ASP 267          2HB       ASP 267  40.538   9.894  -0.049
  148    H    ALA 268           H        ALA 268  39.852   6.158   1.563
  149    HA   ALA 268           HA       ALA 268  39.478   5.404  -1.006
  150   1HB   ALA 268          1HB       ALA 268  39.302   4.108   1.378
  151   2HB   ALA 268          2HB       ALA 268  38.903   3.371  -0.174
  152   3HB   ALA 268          3HB       ALA 268  37.623   4.037   0.841
  153    H    VAL 269           H        VAL 269  37.201   7.127   0.956
  154    HA   VAL 269           HA       VAL 269  34.793   6.557  -0.349
  155    HB   VAL 269           HB       VAL 269  35.820   8.992   1.093
  156   1HG1  VAL 269          1HG1      VAL 269  34.332  10.018  -0.417
  157   2HG1  VAL 269          2HG1      VAL 269  33.311   9.672   0.979
  158   3HG1  VAL 269          3HG1      VAL 269  33.250   8.624  -0.439
  159   1HG2  VAL 269          1HG2      VAL 269  34.309   8.270   2.808
  160   2HG2  VAL 269          2HG2      VAL 269  35.151   6.820   2.262
  161   3HG2  VAL 269          3HG2      VAL 269  33.505   7.140   1.716
  162    H    THR 270           H        THR 270  37.547   8.376  -1.379
  163    HA   THR 270           HA       THR 270  36.183   9.879  -3.427
  164    HB   THR 270           HB       THR 270  39.048   9.426  -2.655
  165    HG1  THR 270           HG1      THR 270  38.244  11.928  -3.221
  166   1HG2  THR 270          1HG2      THR 270  39.316   9.325  -4.991
  167   2HG2  THR 270          2HG2      THR 270  39.520  11.040  -4.635
  168   3HG2  THR 270          3HG2      THR 270  37.989  10.451  -5.283
  169    H    VAL 271           H        VAL 271  38.181   6.949  -3.305
  170    HA   VAL 271           HA       VAL 271  38.521   6.381  -5.967
  171    HB   VAL 271           HB       VAL 271  37.763   4.388  -3.817
  172   1HG1  VAL 271          1HG1      VAL 271  39.079   4.154  -6.529
  173   2HG1  VAL 271          2HG1      VAL 271  37.656   3.298  -5.934
  174   3HG1  VAL 271          3HG1      VAL 271  39.252   2.911  -5.290
  175   1HG2  VAL 271          1HG2      VAL 271  40.520   5.266  -4.715
  176   2HG2  VAL 271          2HG2      VAL 271  40.116   4.237  -3.341
  177   3HG2  VAL 271          3HG2      VAL 271  39.703   5.951  -3.310
  178    H    VAL 272           H        VAL 272  35.566   6.550  -4.228
  179    HA   VAL 272           HA       VAL 272  34.079   4.982  -6.195
  180    HB   VAL 272           HB       VAL 272  33.233   6.449  -3.690
  181   1HG1  VAL 272          1HG1      VAL 272  31.339   6.557  -5.115
  182   2HG1  VAL 272          2HG1      VAL 272  31.068   5.117  -4.133
  183   3HG1  VAL 272          3HG1      VAL 272  31.653   4.958  -5.790
  184   1HG2  VAL 272          1HG2      VAL 272  33.148   4.338  -2.679
  185   2HG2  VAL 272          2HG2      VAL 272  34.572   4.190  -3.708
  186   3HG2  VAL 272          3HG2      VAL 272  33.036   3.495  -4.224
  187    H    LEU 273           H        LEU 273  34.852   8.277  -5.458
  188    HA   LEU 273           HA       LEU 273  32.692   9.408  -7.014
  189   1HB   LEU 273          1HB       LEU 273  33.709  10.584  -5.058
  190   2HB   LEU 273          2HB       LEU 273  35.207  10.733  -5.971
  191    HG   LEU 273           HG       LEU 273  33.976  11.985  -7.742
  192   1HD1  LEU 273          1HD1      LEU 273  31.690  12.921  -6.720
  193   2HD1  LEU 273          2HD1      LEU 273  31.692  11.350  -5.920
  194   3HD1  LEU 273          3HD1      LEU 273  31.732  11.443  -7.680
  195   1HD2  LEU 273          1HD2      LEU 273  33.229  13.827  -5.790
  196   2HD2  LEU 273          2HD2      LEU 273  34.830  13.677  -6.514
  197   3HD2  LEU 273          3HD2      LEU 273  34.468  12.852  -4.998
  198    H    TYR 274           H        TYR 274  36.209   9.010  -7.391
  199    HA   TYR 274           HA       TYR 274  36.315  10.159  -9.999
  200   1HB   TYR 274          1HB       TYR 274  38.519  10.002  -9.621
  201   2HB   TYR 274          2HB       TYR 274  38.163   9.184  -8.098
  202    HD1  TYR 274           HD1      TYR 274  37.744   6.646  -8.165
  203    HD2  TYR 274           HD2      TYR 274  39.531   8.831 -11.402
  204    HE1  TYR 274           HE1      TYR 274  38.670   4.535  -9.078
  205    HE2  TYR 274           HE2      TYR 274  40.458   6.719 -12.316
  206    HH   TYR 274           HH       TYR 274  39.865   3.598 -10.689
  207    H    LYS 275           H        LYS 275  34.967   7.311  -8.913
  208    HA   LYS 275           HA       LYS 275  35.667   5.609 -11.135
  209   1HB   LYS 275          1HB       LYS 275  34.050   5.406  -8.682
  210   2HB   LYS 275          2HB       LYS 275  33.421   4.489 -10.050
  211   1HG   LYS 275          1HG       LYS 275  36.338   4.351  -9.279
  212   2HG   LYS 275          2HG       LYS 275  35.139   3.307  -8.517
  213   1HD   LYS 275          1HD       LYS 275  34.908   2.016 -10.370
  214   2HD   LYS 275          2HD       LYS 275  34.945   3.405 -11.457
  215   1HE   LYS 275          1HE       LYS 275  36.913   1.909 -11.766
  216   2HE   LYS 275          2HE       LYS 275  37.376   3.536 -11.267
  217   1HZ   LYS 275          1HZ       LYS 275  38.377   2.669  -9.514
  218   2HZ   LYS 275          2HZ       LYS 275  37.909   1.104  -9.982
  219   3HZ   LYS 275          3HZ       LYS 275  36.906   2.027  -8.967
  220    H    LYS 276           H        LYS 276  32.629   7.169 -10.085
  221    HA   LYS 276           HA       LYS 276  30.759   7.795 -11.266
  222   1HB   LYS 276          1HB       LYS 276  32.961   8.298 -13.262
  223   2HB   LYS 276          2HB       LYS 276  31.275   8.673 -13.620
  224   1HG   LYS 276          1HG       LYS 276  31.234  10.453 -12.194
  225   2HG   LYS 276          2HG       LYS 276  32.233   9.633 -10.991
  226   1HD   LYS 276          1HD       LYS 276  34.238  10.046 -12.356
  227   2HD   LYS 276          2HD       LYS 276  33.249  10.845 -13.579
  228   1HE   LYS 276          1HE       LYS 276  32.597  12.570 -11.978
  229   2HE   LYS 276          2HE       LYS 276  33.482  11.746 -10.693
  230   1HZ   LYS 276          1HZ       LYS 276  35.354  11.993 -12.605
  231   2HZ   LYS 276          2HZ       LYS 276  35.150  13.075 -11.311
  232   3HZ   LYS 276          3HZ       LYS 276  34.465  13.422 -12.826
  233   1HN   NH2 277          1HN       NH2 277  32.250   4.933 -11.861
  234   2HN   NH2 277          2HN       NH2 277  31.207   4.301 -13.058
  Start of MODEL   56
    1   1H    HIS 250          1H        HIS 250  54.896  -3.054  -2.280
    2   2H    HIS 250          2H        HIS 250  55.174  -2.997  -0.605
    3   3H    HIS 250          3H        HIS 250  55.344  -4.463  -1.447
    4    HA   HIS 250           HA       HIS 250  57.411  -4.012  -2.100
    5   1HB   HIS 250          1HB       HIS 250  56.054  -1.894  -3.290
    6   2HB   HIS 250          2HB       HIS 250  57.315  -1.100  -2.346
    7    HD2  HIS 250           HD2      HIS 250  59.885  -2.929  -2.799
    8    HE1  HIS 250           HE1      HIS 250  58.944  -2.928  -6.915
    9    HE2  HIS 250           HE2      HIS 250  60.773  -3.381  -5.212
   10    H    ILE 251           H        ILE 251  59.355  -3.239  -1.103
   11    HA   ILE 251           HA       ILE 251  58.908  -2.148   1.607
   12    HB   ILE 251           HB       ILE 251  61.390  -3.622   0.777
   13   1HG1  ILE 251          1HG1      ILE 251  59.932  -5.566   1.974
   14   2HG1  ILE 251          2HG1      ILE 251  58.642  -4.702   1.138
   15   1HG2  ILE 251          1HG2      ILE 251  60.738  -2.336   3.062
   16   2HG2  ILE 251          2HG2      ILE 251  61.770  -3.765   3.033
   17   3HG2  ILE 251          3HG2      ILE 251  60.056  -3.922   3.418
   18   1HD1  ILE 251          1HD1      ILE 251  59.344  -6.234  -0.489
   19   2HD1  ILE 251          2HD1      ILE 251  61.039  -6.102  -0.021
   20   3HD1  ILE 251          3HD1      ILE 251  60.266  -4.793  -0.916
   21    H    ASN 252           H        ASN 252  59.733  -1.074  -1.311
   22    HA   ASN 252           HA       ASN 252  62.111   0.443  -0.538
   23   1HB   ASN 252          1HB       ASN 252  60.597   0.081  -3.115
   24   2HB   ASN 252          2HB       ASN 252  61.814   1.344  -2.934
   25   1HD2  ASN 252          1HD2      ASN 252  61.465  -2.199  -2.312
   26   2HD2  ASN 252          2HD2      ASN 252  63.052  -2.578  -2.779
   27    H    GLU 253           H        GLU 253  58.675   0.860  -0.946
   28    HA   GLU 253           HA       GLU 253  58.903   3.771  -0.739
   29   1HB   GLU 253          1HB       GLU 253  56.289   2.309  -0.837
   30   2HB   GLU 253          2HB       GLU 253  56.709   3.899  -1.479
   31   1HG   GLU 253          1HG       GLU 253  57.599   1.217  -2.574
   32   2HG   GLU 253          2HG       GLU 253  56.481   2.346  -3.335
   33    H    LEU 254           H        LEU 254  59.000   1.266   1.328
   34    HA   LEU 254           HA       LEU 254  57.123   1.748   3.325
   35   1HB   LEU 254          1HB       LEU 254  59.615   0.314   3.070
   36   2HB   LEU 254          2HB       LEU 254  59.556   1.133   4.629
   37    HG   LEU 254           HG       LEU 254  58.577  -1.143   4.744
   38   1HD1  LEU 254          1HD1      LEU 254  57.436   1.280   5.651
   39   2HD1  LEU 254          2HD1      LEU 254  57.223  -0.328   6.340
   40   3HD1  LEU 254          3HD1      LEU 254  56.092   0.267   5.124
   41   1HD2  LEU 254          1HD2      LEU 254  56.095  -0.526   3.370
   42   2HD2  LEU 254          2HD2      LEU 254  57.166  -1.912   3.163
   43   3HD2  LEU 254          3HD2      LEU 254  57.463  -0.426   2.262
   44    H    LEU 255           H        LEU 255  59.356   3.874   2.112
   45    HA   LEU 255           HA       LEU 255  59.673   5.361   4.622
   46   1HB   LEU 255          1HB       LEU 255  60.912   6.680   2.403
   47   2HB   LEU 255          2HB       LEU 255  61.679   5.939   3.806
   48    HG   LEU 255           HG       LEU 255  60.833   4.445   1.304
   49   1HD1  LEU 255          1HD1      LEU 255  62.800   6.092   1.141
   50   2HD1  LEU 255          2HD1      LEU 255  63.114   4.424   0.662
   51   3HD1  LEU 255          3HD1      LEU 255  63.646   5.004   2.241
   52   1HD2  LEU 255          1HD2      LEU 255  62.790   3.115   2.931
   53   2HD2  LEU 255          2HD2      LEU 255  61.164   2.571   2.513
   54   3HD2  LEU 255          3HD2      LEU 255  61.421   3.562   3.950
   55    H    HIS 256           H        HIS 256  58.345   5.605   1.358
   56    HA   HIS 256           HA       HIS 256  57.194   8.234   1.956
   57   1HB   HIS 256          1HB       HIS 256  57.092   6.634  -0.612
   58   2HB   HIS 256          2HB       HIS 256  56.625   8.324  -0.403
   59    HD2  HIS 256           HD2      HIS 256  59.994   6.244   0.078
   60    HE1  HIS 256           HE1      HIS 256  60.944  10.189  -1.087
   61    HE2  HIS 256           HE2      HIS 256  61.914   7.910  -0.527
   62    H    ILE 257           H        ILE 257  55.894   5.421   0.195
   63    HA   ILE 257           HA       ILE 257  53.235   5.872   0.552
   64    HB   ILE 257           HB       ILE 257  54.556   3.867  -0.574
   65   1HG1  ILE 257          1HG1      ILE 257  52.262   2.571  -0.342
   66   2HG1  ILE 257          2HG1      ILE 257  51.747   4.061   0.452
   67   1HG2  ILE 257          1HG2      ILE 257  53.426   2.486   1.861
   68   2HG2  ILE 257          2HG2      ILE 257  55.111   3.004   1.803
   69   3HG2  ILE 257          3HG2      ILE 257  54.509   1.835   0.631
   70   1HD1  ILE 257          1HD1      ILE 257  52.540   3.603  -2.392
   71   2HD1  ILE 257          2HD1      ILE 257  52.935   5.163  -1.669
   72   3HD1  ILE 257          3HD1      ILE 257  51.259   4.621  -1.734
   73    H    LEU 258           H        LEU 258  55.524   4.820   2.942
   74    HA   LEU 258           HA       LEU 258  53.717   3.839   4.880
   75   1HB   LEU 258          1HB       LEU 258  55.982   3.253   5.162
   76   2HB   LEU 258          2HB       LEU 258  56.531   4.904   4.894
   77    HG   LEU 258           HG       LEU 258  55.621   5.590   7.047
   78   1HD1  LEU 258          1HD1      LEU 258  53.781   4.360   7.670
   79   2HD1  LEU 258          2HD1      LEU 258  54.989   3.371   8.484
   80   3HD1  LEU 258          3HD1      LEU 258  54.384   2.893   6.900
   81   1HD2  LEU 258          1HD2      LEU 258  57.891   4.749   7.062
   82   2HD2  LEU 258          2HD2      LEU 258  57.313   3.084   7.148
   83   3HD2  LEU 258          3HD2      LEU 258  57.077   4.171   8.516
   84    H    VAL 259           H        VAL 259  55.099   7.021   4.206
   85    HA   VAL 259           HA       VAL 259  54.426   8.580   6.294
   86    HB   VAL 259           HB       VAL 259  53.835   9.264   3.404
   87   1HG1  VAL 259          1HG1      VAL 259  54.249  11.599   4.202
   88   2HG1  VAL 259          2HG1      VAL 259  54.318  10.987   5.854
   89   3HG1  VAL 259          3HG1      VAL 259  52.818  10.873   4.935
   90   1HG2  VAL 259          1HG2      VAL 259  56.212   8.444   4.171
   91   2HG2  VAL 259          2HG2      VAL 259  56.313  10.037   4.919
   92   3HG2  VAL 259          3HG2      VAL 259  56.074   9.894   3.178
   93    H    PHE 260           H        PHE 260  52.099   8.390   3.593
   94    HA   PHE 260           HA       PHE 260  49.924   9.066   5.376
   95   1HB   PHE 260          1HB       PHE 260  48.784   8.329   2.962
   96   2HB   PHE 260          2HB       PHE 260  49.263   9.964   3.418
   97    HD1  PHE 260           HD1      PHE 260  51.653  10.716   2.919
   98    HD2  PHE 260           HD2      PHE 260  49.903   7.182   1.216
   99    HE1  PHE 260           HE1      PHE 260  53.395  10.704   1.154
  100    HE2  PHE 260           HE2      PHE 260  51.643   7.173  -0.550
  101    HZ   PHE 260           HZ       PHE 260  53.391   8.932  -0.578
  102    H    GLY 261           H        GLY 261  49.847   6.534   2.903
  103   1HA   GLY 261          1HA       GLY 261  49.380   4.266   3.072
  104   2HA   GLY 261          2HA       GLY 261  49.476   4.411   4.826
  105    H    GLU 262           H        GLU 262  47.580   6.590   5.002
  106    HA   GLU 262           HA       GLU 262  45.116   5.022   4.728
  107   1HB   GLU 262          1HB       GLU 262  44.825   7.642   5.968
  108   2HB   GLU 262          2HB       GLU 262  44.416   6.049   6.601
  109   1HG   GLU 262          1HG       GLU 262  47.171   7.315   6.596
  110   2HG   GLU 262          2HG       GLU 262  46.136   7.086   8.000
  111    H    SER 263           H        SER 263  46.430   8.216   3.905
  112    HA   SER 263           HA       SER 263  44.206   9.265   2.582
  113   1HB   SER 263          1HB       SER 263  46.221  10.579   3.130
  114   2HB   SER 263          2HB       SER 263  47.129   9.684   1.915
  115    HG   SER 263           HG       SER 263  45.724  11.841   1.543
  116    H    LEU 264           H        LEU 264  45.903   6.506   1.824
  117    HA   LEU 264           HA       LEU 264  45.875   6.663  -1.040
  118   1HB   LEU 264          1HB       LEU 264  46.650   4.728   1.007
  119   2HB   LEU 264          2HB       LEU 264  45.890   3.970  -0.392
  120    HG   LEU 264           HG       LEU 264  48.121   6.007  -0.617
  121   1HD1  LEU 264          1HD1      LEU 264  48.175   3.132   0.022
  122   2HD1  LEU 264          2HD1      LEU 264  49.432   4.352   0.221
  123   3HD1  LEU 264          3HD1      LEU 264  49.191   3.582  -1.347
  124   1HD2  LEU 264          1HD2      LEU 264  46.326   4.887  -2.491
  125   2HD2  LEU 264          2HD2      LEU 264  47.862   4.059  -2.746
  126   3HD2  LEU 264          3HD2      LEU 264  47.782   5.818  -2.841
  127    H    LEU 265           H        LEU 265  43.918   4.814   1.306
  128    HA   LEU 265           HA       LEU 265  41.954   4.187  -0.743
  129   1HB   LEU 265          1HB       LEU 265  40.783   3.119   1.294
  130   2HB   LEU 265          2HB       LEU 265  42.304   2.405   0.754
  131    HG   LEU 265           HG       LEU 265  42.606   4.605   2.698
  132   1HD1  LEU 265          1HD1      LEU 265  40.614   3.605   3.660
  133   2HD1  LEU 265          2HD1      LEU 265  42.006   3.096   4.615
  134   3HD1  LEU 265          3HD1      LEU 265  41.280   1.985   3.454
  135   1HD2  LEU 265          1HD2      LEU 265  44.280   3.075   3.605
  136   2HD2  LEU 265          2HD2      LEU 265  44.443   3.131   1.850
  137   3HD2  LEU 265          3HD2      LEU 265  43.650   1.755   2.618
  138    H    ASN 266           H        ASN 266  42.283   6.300   2.051
  139    HA   ASN 266           HA       ASN 266  39.755   7.108   2.619
  140   1HB   ASN 266          1HB       ASN 266  40.735   8.865   3.649
  141   2HB   ASN 266          2HB       ASN 266  42.247   8.104   3.156
  142   1HD2  ASN 266          1HD2      ASN 266  42.693   8.694   0.607
  143   2HD2  ASN 266          2HD2      ASN 266  42.577  10.355   0.278
  144    H    ASP 267           H        ASP 267  41.502   7.681  -0.343
  145    HA   ASP 267           HA       ASP 267  39.986   9.791  -1.411
  146   1HB   ASP 267          1HB       ASP 267  41.826   7.735  -2.443
  147   2HB   ASP 267          2HB       ASP 267  40.654   8.329  -3.618
  148    H    ALA 268           H        ALA 268  39.406   6.320  -1.308
  149    HA   ALA 268           HA       ALA 268  37.019   6.561  -2.970
  150   1HB   ALA 268          1HB       ALA 268  37.256   3.987  -1.742
  151   2HB   ALA 268          2HB       ALA 268  38.841   4.475  -2.341
  152   3HB   ALA 268          3HB       ALA 268  37.462   4.419  -3.440
  153    H    VAL 269           H        VAL 269  37.858   5.628   0.364
  154    HA   VAL 269           HA       VAL 269  35.234   5.170   1.267
  155    HB   VAL 269           HB       VAL 269  37.614   6.163   2.853
  156   1HG1  VAL 269          1HG1      VAL 269  36.170   6.164   4.582
  157   2HG1  VAL 269          2HG1      VAL 269  35.955   4.430   4.344
  158   3HG1  VAL 269          3HG1      VAL 269  34.870   5.571   3.548
  159   1HG2  VAL 269          1HG2      VAL 269  38.032   4.077   1.538
  160   2HG2  VAL 269          2HG2      VAL 269  36.640   3.336   2.330
  161   3HG2  VAL 269          3HG2      VAL 269  38.053   3.798   3.280
  162    H    THR 270           H        THR 270  37.230   8.107   1.301
  163    HA   THR 270           HA       THR 270  35.650   9.823   2.755
  164    HB   THR 270           HB       THR 270  37.246  10.371   0.246
  165    HG1  THR 270           HG1      THR 270  38.030  11.346   2.679
  166   1HG2  THR 270          1HG2      THR 270  35.748  12.195   0.367
  167   2HG2  THR 270          2HG2      THR 270  37.186  12.763   1.217
  168   3HG2  THR 270          3HG2      THR 270  35.780  12.214   2.131
  169    H    VAL 271           H        VAL 271  35.540   9.669  -0.811
  170    HA   VAL 271           HA       VAL 271  33.228  11.124  -1.200
  171    HB   VAL 271           HB       VAL 271  34.276   8.751  -2.755
  172   1HG1  VAL 271          1HG1      VAL 271  32.837  10.152  -4.553
  173   2HG1  VAL 271          2HG1      VAL 271  31.882  10.485  -3.109
  174   3HG1  VAL 271          3HG1      VAL 271  32.150   8.820  -3.624
  175   1HG2  VAL 271          1HG2      VAL 271  35.773  10.710  -2.642
  176   2HG2  VAL 271          2HG2      VAL 271  34.457  11.752  -3.179
  177   3HG2  VAL 271          3HG2      VAL 271  35.110  10.527  -4.266
  178    H    VAL 272           H        VAL 272  33.583   7.922   0.073
  179    HA   VAL 272           HA       VAL 272  30.734   7.336  -0.256
  180    HB   VAL 272           HB       VAL 272  32.967   5.688   0.951
  181   1HG1  VAL 272          1HG1      VAL 272  31.073   4.785   1.941
  182   2HG1  VAL 272          2HG1      VAL 272  31.092   3.890   0.421
  183   3HG1  VAL 272          3HG1      VAL 272  30.019   5.276   0.615
  184   1HG2  VAL 272          1HG2      VAL 272  32.873   6.250  -1.606
  185   2HG2  VAL 272          2HG2      VAL 272  31.510   5.132  -1.624
  186   3HG2  VAL 272          3HG2      VAL 272  33.102   4.573  -1.111
  187    H    LEU 273           H        LEU 273  32.937   8.578   2.065
  188    HA   LEU 273           HA       LEU 273  31.104   8.059   4.298
  189   1HB   LEU 273          1HB       LEU 273  33.870   8.082   4.131
  190   2HB   LEU 273          2HB       LEU 273  33.493   9.618   4.907
  191    HG   LEU 273           HG       LEU 273  31.955   8.309   6.465
  192   1HD1  LEU 273          1HD1      LEU 273  32.532   6.241   4.674
  193   2HD1  LEU 273          2HD1      LEU 273  31.734   6.073   6.236
  194   3HD1  LEU 273          3HD1      LEU 273  33.477   5.848   6.109
  195   1HD2  LEU 273          1HD2      LEU 273  33.840   7.557   7.880
  196   2HD2  LEU 273          2HD2      LEU 273  34.182   9.127   7.152
  197   3HD2  LEU 273          3HD2      LEU 273  34.923   7.668   6.493
  198    H    TYR 274           H        TYR 274  32.971  10.866   3.089
  199    HA   TYR 274           HA       TYR 274  31.401  12.762   4.492
  200   1HB   TYR 274          1HB       TYR 274  33.497  13.571   3.983
  201   2HB   TYR 274          2HB       TYR 274  33.504  12.848   2.376
  202    HD1  TYR 274           HD1      TYR 274  33.723  14.559   0.805
  203    HD2  TYR 274           HD2      TYR 274  31.021  15.056   4.104
  204    HE1  TYR 274           HE1      TYR 274  32.939  16.706  -0.161
  205    HE2  TYR 274           HE2      TYR 274  30.235  17.203   3.140
  206    HH   TYR 274           HH       TYR 274  30.377  18.095   0.288
  207    H    LYS 275           H        LYS 275  31.764  12.786   0.953
  208    HA   LYS 275           HA       LYS 275  29.518  14.173   0.294
  209   1HB   LYS 275          1HB       LYS 275  30.809  11.849  -1.127
  210   2HB   LYS 275          2HB       LYS 275  29.454  12.731  -1.825
  211   1HG   LYS 275          1HG       LYS 275  31.570  14.484  -0.786
  212   2HG   LYS 275          2HG       LYS 275  32.124  13.429  -2.082
  213   1HD   LYS 275          1HD       LYS 275  31.297  15.483  -3.068
  214   2HD   LYS 275          2HD       LYS 275  30.160  14.194  -3.459
  215   1HE   LYS 275          1HE       LYS 275  28.632  14.919  -1.745
  216   2HE   LYS 275          2HE       LYS 275  29.820  16.040  -1.082
  217   1HZ   LYS 275          1HZ       LYS 275  28.513  16.204  -3.742
  218   2HZ   LYS 275          2HZ       LYS 275  29.766  17.229  -3.224
  219   3HZ   LYS 275          3HZ       LYS 275  28.267  17.243  -2.423
  220    H    LYS 276           H        LYS 276  29.505  10.614   0.031
  221    HA   LYS 276           HA       LYS 276  26.653  10.481   0.156
  222   1HB   LYS 276          1HB       LYS 276  28.734   8.305   0.497
  223   2HB   LYS 276          2HB       LYS 276  27.005   8.038   0.269
  224   1HG   LYS 276          1HG       LYS 276  27.186   9.356  -1.888
  225   2HG   LYS 276          2HG       LYS 276  28.937   9.312  -1.683
  226   1HD   LYS 276          1HD       LYS 276  28.947   6.890  -1.747
  227   2HD   LYS 276          2HD       LYS 276  27.184   6.842  -1.749
  228   1HE   LYS 276          1HE       LYS 276  28.734   8.274  -3.909
  229   2HE   LYS 276          2HE       LYS 276  28.350   6.557  -4.024
  230   1HZ   LYS 276          1HZ       LYS 276  26.736   8.474  -4.893
  231   2HZ   LYS 276          2HZ       LYS 276  26.151   8.313  -3.305
  232   3HZ   LYS 276          3HZ       LYS 276  26.176   6.970  -4.344
  233   1HN   NH2 277          1HN       NH2 277  29.216  10.214   2.592
  234   2HN   NH2 277          2HN       NH2 277  28.162  10.005   3.919
  Start of MODEL   57
    1   1H    HIS 250          1H        HIS 250  33.844  -7.608  -6.344
    2   2H    HIS 250          2H        HIS 250  34.293  -9.246  -6.288
    3   3H    HIS 250          3H        HIS 250  34.712  -8.292  -7.631
    4    HA   HIS 250           HA       HIS 250  36.029  -6.863  -6.047
    5   1HB   HIS 250          1HB       HIS 250  34.909  -8.885  -4.267
    6   2HB   HIS 250          2HB       HIS 250  36.667  -8.803  -4.148
    7    HD2  HIS 250           HD2      HIS 250  33.987  -5.850  -4.430
    8    HE1  HIS 250           HE1      HIS 250  36.662  -5.028  -1.269
    9    HE2  HIS 250           HE2      HIS 250  34.662  -4.152  -2.565
   10    H    ILE 251           H        ILE 251  37.356  -7.175  -7.842
   11    HA   ILE 251           HA       ILE 251  38.738  -9.767  -8.069
   12    HB   ILE 251           HB       ILE 251  38.966  -7.481 -10.017
   13   1HG1  ILE 251          1HG1      ILE 251  37.131  -9.183 -11.137
   14   2HG1  ILE 251          2HG1      ILE 251  36.642  -9.214  -9.442
   15   1HG2  ILE 251          1HG2      ILE 251  40.258  -9.884  -9.851
   16   2HG2  ILE 251          2HG2      ILE 251  39.976  -9.018 -11.362
   17   3HG2  ILE 251          3HG2      ILE 251  38.882 -10.311 -10.868
   18   1HD1  ILE 251          1HD1      ILE 251  37.039  -6.722 -11.126
   19   2HD1  ILE 251          2HD1      ILE 251  36.583  -6.739  -9.423
   20   3HD1  ILE 251          3HD1      ILE 251  35.487  -7.400 -10.636
   21    H    ASN 252           H        ASN 252  40.780  -8.043  -9.649
   22    HA   ASN 252           HA       ASN 252  42.544  -7.619  -7.350
   23   1HB   ASN 252          1HB       ASN 252  44.335  -7.500  -9.004
   24   2HB   ASN 252          2HB       ASN 252  43.362  -8.944  -9.273
   25   1HD2  ASN 252          1HD2      ASN 252  42.029  -9.028 -11.200
   26   2HD2  ASN 252          2HD2      ASN 252  42.180  -7.880 -12.441
   27    H    GLU 253           H        GLU 253  40.399  -5.834  -9.130
   28    HA   GLU 253           HA       GLU 253  41.444  -3.484  -9.927
   29   1HB   GLU 253          1HB       GLU 253  39.366  -2.512  -8.469
   30   2HB   GLU 253          2HB       GLU 253  39.188  -3.293 -10.040
   31   1HG   GLU 253          1HG       GLU 253  38.564  -5.357  -9.078
   32   2HG   GLU 253          2HG       GLU 253  39.204  -4.910  -7.495
   33    H    LEU 254           H        LEU 254  40.884  -4.365  -6.539
   34    HA   LEU 254           HA       LEU 254  41.556  -2.044  -5.241
   35   1HB   LEU 254          1HB       LEU 254  42.593  -4.705  -4.286
   36   2HB   LEU 254          2HB       LEU 254  41.996  -3.347  -3.331
   37    HG   LEU 254           HG       LEU 254  39.816  -3.871  -4.882
   38   1HD1  LEU 254          1HD1      LEU 254  40.826  -6.607  -4.122
   39   2HD1  LEU 254          2HD1      LEU 254  41.187  -5.924  -5.708
   40   3HD1  LEU 254          3HD1      LEU 254  39.512  -6.181  -5.218
   41   1HD2  LEU 254          1HD2      LEU 254  39.002  -5.170  -2.845
   42   2HD2  LEU 254          2HD2      LEU 254  39.669  -3.573  -2.506
   43   3HD2  LEU 254          3HD2      LEU 254  40.636  -5.017  -2.201
   44    H    LEU 255           H        LEU 255  43.562  -3.767  -7.347
   45    HA   LEU 255           HA       LEU 255  46.108  -3.691  -6.399
   46   1HB   LEU 255          1HB       LEU 255  45.342  -4.291  -8.752
   47   2HB   LEU 255          2HB       LEU 255  45.424  -2.568  -9.117
   48    HG   LEU 255           HG       LEU 255  47.838  -2.856  -7.979
   49   1HD1  LEU 255          1HD1      LEU 255  47.186  -5.379  -7.726
   50   2HD1  LEU 255          2HD1      LEU 255  48.807  -4.968  -8.287
   51   3HD1  LEU 255          3HD1      LEU 255  47.574  -5.471  -9.444
   52   1HD2  LEU 255          1HD2      LEU 255  47.735  -1.928 -10.136
   53   2HD2  LEU 255          2HD2      LEU 255  46.914  -3.337 -10.806
   54   3HD2  LEU 255          3HD2      LEU 255  48.629  -3.423 -10.406
   55    H    HIS 256           H        HIS 256  44.182  -0.932  -7.459
   56    HA   HIS 256           HA       HIS 256  46.257   1.007  -7.255
   57   1HB   HIS 256          1HB       HIS 256  43.276   1.069  -7.472
   58   2HB   HIS 256          2HB       HIS 256  44.119   2.541  -6.985
   59    HD2  HIS 256           HD2      HIS 256  44.919  -0.078  -9.897
   60    HE1  HIS 256           HE1      HIS 256  45.209   3.851 -11.416
   61    HE2  HIS 256           HE2      HIS 256  45.438   1.389 -11.996
   62    H    ILE 257           H        ILE 257  43.563   0.129  -5.096
   63    HA   ILE 257           HA       ILE 257  44.382   1.893  -3.008
   64    HB   ILE 257           HB       ILE 257  42.399  -0.343  -3.254
   65   1HG1  ILE 257          1HG1      ILE 257  40.835   1.444  -2.725
   66   2HG1  ILE 257          2HG1      ILE 257  42.162   2.542  -2.345
   67   1HG2  ILE 257          1HG2      ILE 257  43.471   0.892  -0.720
   68   2HG2  ILE 257          2HG2      ILE 257  43.148  -0.808  -1.067
   69   3HG2  ILE 257          3HG2      ILE 257  41.809   0.310  -0.808
   70   1HD1  ILE 257          1HD1      ILE 257  41.935   1.242  -5.058
   71   2HD1  ILE 257          2HD1      ILE 257  42.850   2.680  -4.604
   72   3HD1  ILE 257          3HD1      ILE 257  41.089   2.745  -4.687
   73    H    LEU 258           H        LEU 258  45.068  -1.448  -3.826
   74    HA   LEU 258           HA       LEU 258  46.133  -2.299  -1.362
   75   1HB   LEU 258          1HB       LEU 258  46.042  -3.262  -4.096
   76   2HB   LEU 258          2HB       LEU 258  47.619  -3.576  -3.376
   77    HG   LEU 258           HG       LEU 258  46.011  -5.435  -2.986
   78   1HD1  LEU 258          1HD1      LEU 258  47.646  -4.102  -1.088
   79   2HD1  LEU 258          2HD1      LEU 258  47.169  -5.800  -1.096
   80   3HD1  LEU 258          3HD1      LEU 258  46.187  -4.613  -0.238
   81   1HD2  LEU 258          1HD2      LEU 258  44.473  -4.040  -0.935
   82   2HD2  LEU 258          2HD2      LEU 258  43.906  -5.072  -2.247
   83   3HD2  LEU 258          3HD2      LEU 258  44.202  -3.358  -2.539
   84    H    VAL 259           H        VAL 259  47.273  -0.018  -3.610
   85    HA   VAL 259           HA       VAL 259  50.088  -0.315  -3.042
   86    HB   VAL 259           HB       VAL 259  48.587   1.979  -4.327
   87   1HG1  VAL 259          1HG1      VAL 259  51.523   1.227  -4.242
   88   2HG1  VAL 259          2HG1      VAL 259  50.783   2.673  -3.555
   89   3HG1  VAL 259          3HG1      VAL 259  50.847   2.461  -5.304
   90   1HG2  VAL 259          1HG2      VAL 259  50.156   0.381  -6.128
   91   2HG2  VAL 259          2HG2      VAL 259  48.418   0.681  -6.159
   92   3HG2  VAL 259          3HG2      VAL 259  49.063  -0.675  -5.234
   93    H    PHE 260           H        PHE 260  48.076   2.582  -2.629
   94    HA   PHE 260           HA       PHE 260  49.671   3.440  -0.375
   95   1HB   PHE 260          1HB       PHE 260  47.471   5.117  -0.503
   96   2HB   PHE 260          2HB       PHE 260  49.017   5.383  -1.310
   97    HD1  PHE 260           HD1      PHE 260  45.508   4.567  -1.744
   98    HD2  PHE 260           HD2      PHE 260  49.351   4.540  -3.663
   99    HE1  PHE 260           HE1      PHE 260  44.403   4.323  -3.951
  100    HE2  PHE 260           HE2      PHE 260  48.246   4.295  -5.870
  101    HZ   PHE 260           HZ       PHE 260  45.772   4.188  -6.014
  102    H    GLY 261           H        GLY 261  46.132   3.175  -0.716
  103   1HA   GLY 261          1HA       GLY 261  44.513   2.414   0.728
  104   2HA   GLY 261          2HA       GLY 261  45.753   1.396   1.449
  105    H    GLU 262           H        GLU 262  47.383   2.699   2.836
  106    HA   GLU 262           HA       GLU 262  45.892   3.956   4.928
  107   1HB   GLU 262          1HB       GLU 262  48.791   3.360   4.441
  108   2HB   GLU 262          2HB       GLU 262  48.328   4.436   5.759
  109   1HG   GLU 262          1HG       GLU 262  46.824   1.875   5.499
  110   2HG   GLU 262          2HG       GLU 262  48.482   1.780   6.088
  111    H    SER 263           H        SER 263  47.678   5.103   2.175
  112    HA   SER 263           HA       SER 263  47.996   7.797   3.152
  113   1HB   SER 263          1HB       SER 263  48.934   6.262   0.937
  114   2HB   SER 263          2HB       SER 263  48.146   7.706   0.311
  115    HG   SER 263           HG       SER 263  49.598   8.330   2.473
  116    H    LEU 264           H        LEU 264  46.288   6.676   0.234
  117    HA   LEU 264           HA       LEU 264  44.544   8.942   0.228
  118   1HB   LEU 264          1HB       LEU 264  44.092   6.380  -1.295
  119   2HB   LEU 264          2HB       LEU 264  43.604   8.015  -1.738
  120    HG   LEU 264           HG       LEU 264  46.425   6.915  -1.638
  121   1HD1  LEU 264          1HD1      LEU 264  46.320   6.844  -3.911
  122   2HD1  LEU 264          2HD1      LEU 264  45.385   8.337  -4.009
  123   3HD1  LEU 264          3HD1      LEU 264  44.575   6.811  -3.653
  124   1HD2  LEU 264          1HD2      LEU 264  45.369   9.736  -1.859
  125   2HD2  LEU 264          2HD2      LEU 264  46.935   9.290  -2.537
  126   3HD2  LEU 264          3HD2      LEU 264  46.644   9.123  -0.806
  127    H    LEU 265           H        LEU 265  44.597   6.626   2.403
  128    HA   LEU 265           HA       LEU 265  42.327   5.217   2.661
  129   1HB   LEU 265          1HB       LEU 265  44.104   5.505   4.423
  130   2HB   LEU 265          2HB       LEU 265  43.330   7.021   4.872
  131    HG   LEU 265           HG       LEU 265  41.203   5.774   5.286
  132   1HD1  LEU 265          1HD1      LEU 265  41.809   3.185   5.664
  133   2HD1  LEU 265          2HD1      LEU 265  42.913   3.522   4.332
  134   3HD1  LEU 265          3HD1      LEU 265  41.182   3.785   4.129
  135   1HD2  LEU 265          1HD2      LEU 265  43.641   5.716   6.819
  136   2HD2  LEU 265          2HD2      LEU 265  42.730   4.235   7.115
  137   3HD2  LEU 265          3HD2      LEU 265  41.977   5.805   7.399
  138    H    ASN 266           H        ASN 266  42.453   8.574   3.881
  139    HA   ASN 266           HA       ASN 266  39.770   8.943   4.385
  140   1HB   ASN 266          1HB       ASN 266  40.206  11.229   4.460
  141   2HB   ASN 266          2HB       ASN 266  41.810  10.543   4.710
  142   1HD2  ASN 266          1HD2      ASN 266  43.290  10.510   2.806
  143   2HD2  ASN 266          2HD2      ASN 266  43.045  11.604   1.532
  144    H    ASP 267           H        ASP 267  41.409   8.850   1.313
  145    HA   ASP 267           HA       ASP 267  39.083   9.858  -0.135
  146   1HB   ASP 267          1HB       ASP 267  41.903   9.611  -0.648
  147   2HB   ASP 267          2HB       ASP 267  40.994   8.812  -1.930
  148    H    ALA 268           H        ALA 268  41.030   6.879   0.007
  149    HA   ALA 268           HA       ALA 268  39.814   5.221  -1.741
  150   1HB   ALA 268          1HB       ALA 268  40.920   3.597  -0.644
  151   2HB   ALA 268          2HB       ALA 268  40.035   3.900   0.852
  152   3HB   ALA 268          3HB       ALA 268  41.459   4.863   0.459
  153    H    VAL 269           H        VAL 269  38.443   6.391   1.266
  154    HA   VAL 269           HA       VAL 269  36.284   4.657   1.573
  155    HB   VAL 269           HB       VAL 269  36.425   7.632   2.121
  156   1HG1  VAL 269          1HG1      VAL 269  34.669   6.702   3.921
  157   2HG1  VAL 269          2HG1      VAL 269  34.361   5.538   2.633
  158   3HG1  VAL 269          3HG1      VAL 269  34.159   7.263   2.329
  159   1HG2  VAL 269          1HG2      VAL 269  37.785   7.037   3.815
  160   2HG2  VAL 269          2HG2      VAL 269  37.681   5.346   3.326
  161   3HG2  VAL 269          3HG2      VAL 269  36.505   6.009   4.460
  162    H    THR 270           H        THR 270  36.992   6.606  -1.043
  163    HA   THR 270           HA       THR 270  34.218   7.120  -1.807
  164    HB   THR 270           HB       THR 270  35.939   8.846  -2.231
  165    HG1  THR 270           HG1      THR 270  34.086   8.402  -3.670
  166   1HG2  THR 270          1HG2      THR 270  37.158   7.479  -4.502
  167   2HG2  THR 270          2HG2      THR 270  37.504   6.665  -2.977
  168   3HG2  THR 270          3HG2      THR 270  37.926   8.365  -3.184
  169    H    VAL 271           H        VAL 271  36.704   4.799  -2.304
  170    HA   VAL 271           HA       VAL 271  35.193   3.595  -4.547
  171    HB   VAL 271           HB       VAL 271  38.113   3.281  -3.814
  172   1HG1  VAL 271          1HG1      VAL 271  36.356   2.047  -5.941
  173   2HG1  VAL 271          2HG1      VAL 271  37.405   1.228  -4.782
  174   3HG1  VAL 271          3HG1      VAL 271  38.109   2.139  -6.118
  175   1HG2  VAL 271          1HG2      VAL 271  37.600   4.277  -6.460
  176   2HG2  VAL 271          2HG2      VAL 271  38.474   5.064  -5.145
  177   3HG2  VAL 271          3HG2      VAL 271  36.730   5.280  -5.299
  178    H    VAL 272           H        VAL 272  37.318   2.657  -1.837
  179    HA   VAL 272           HA       VAL 272  36.659  -0.021  -1.678
  180    HB   VAL 272           HB       VAL 272  37.108   1.739   0.735
  181   1HG1  VAL 272          1HG1      VAL 272  38.198  -0.301   1.602
  182   2HG1  VAL 272          2HG1      VAL 272  37.819  -1.141   0.098
  183   3HG1  VAL 272          3HG1      VAL 272  36.519  -0.619   1.168
  184   1HG2  VAL 272          1HG2      VAL 272  38.966   0.831  -1.447
  185   2HG2  VAL 272          2HG2      VAL 272  39.574   0.983   0.202
  186   3HG2  VAL 272          3HG2      VAL 272  38.897   2.389  -0.622
  187    H    LEU 273           H        LEU 273  34.754   2.741  -0.799
  188    HA   LEU 273           HA       LEU 273  32.831   1.112   0.697
  189   1HB   LEU 273          1HB       LEU 273  33.516   3.413   1.471
  190   2HB   LEU 273          2HB       LEU 273  32.698   4.064   0.052
  191    HG   LEU 273           HG       LEU 273  30.762   2.411   1.061
  192   1HD1  LEU 273          1HD1      LEU 273  32.208   3.655   3.421
  193   2HD1  LEU 273          2HD1      LEU 273  32.169   1.931   3.053
  194   3HD1  LEU 273          3HD1      LEU 273  30.681   2.774   3.485
  195   1HD2  LEU 273          1HD2      LEU 273  30.474   4.750   0.344
  196   2HD2  LEU 273          2HD2      LEU 273  31.300   5.307   1.799
  197   3HD2  LEU 273          3HD2      LEU 273  29.739   4.497   1.927
  198    H    TYR 274           H        TYR 274  33.003   3.140  -2.205
  199    HA   TYR 274           HA       TYR 274  30.333   2.723  -3.043
  200   1HB   TYR 274          1HB       TYR 274  32.854   3.598  -4.433
  201   2HB   TYR 274          2HB       TYR 274  31.346   3.385  -5.325
  202    HD1  TYR 274           HD1      TYR 274  32.558   4.935  -2.125
  203    HD2  TYR 274           HD2      TYR 274  29.945   5.243  -5.521
  204    HE1  TYR 274           HE1      TYR 274  31.783   7.151  -1.328
  205    HE2  TYR 274           HE2      TYR 274  29.170   7.459  -4.724
  206    HH   TYR 274           HH       TYR 274  30.760   9.169  -2.218
  207    H    LYS 275           H        LYS 275  33.386   1.112  -3.912
  208    HA   LYS 275           HA       LYS 275  32.465  -0.607  -5.882
  209   1HB   LYS 275          1HB       LYS 275  34.662  -0.747  -3.862
  210   2HB   LYS 275          2HB       LYS 275  34.273  -2.204  -4.776
  211   1HG   LYS 275          1HG       LYS 275  34.622   0.424  -6.204
  212   2HG   LYS 275          2HG       LYS 275  36.036  -0.530  -5.753
  213   1HD   LYS 275          1HD       LYS 275  35.608  -2.139  -7.309
  214   2HD   LYS 275          2HD       LYS 275  33.863  -2.061  -7.059
  215   1HE   LYS 275          1HE       LYS 275  33.703  -0.044  -8.392
  216   2HE   LYS 275          2HE       LYS 275  35.458   0.055  -8.528
  217   1HZ   LYS 275          1HZ       LYS 275  35.452  -1.391 -10.195
  218   2HZ   LYS 275          2HZ       LYS 275  33.762  -1.226 -10.252
  219   3HZ   LYS 275          3HZ       LYS 275  34.466  -2.487  -9.357
  220    H    LYS 276           H        LYS 276  31.530  -0.479  -2.634
  221    HA   LYS 276           HA       LYS 276  30.040  -2.986  -2.940
  222   1HB   LYS 276          1HB       LYS 276  30.643  -3.492  -0.489
  223   2HB   LYS 276          2HB       LYS 276  31.870  -3.826  -1.711
  224   1HG   LYS 276          1HG       LYS 276  33.207  -2.062  -1.054
  225   2HG   LYS 276          2HG       LYS 276  31.839  -1.099  -0.493
  226   1HD   LYS 276          1HD       LYS 276  33.254  -1.936   1.385
  227   2HD   LYS 276          2HD       LYS 276  31.593  -2.520   1.475
  228   1HE   LYS 276          1HE       LYS 276  33.493  -4.212  -0.058
  229   2HE   LYS 276          2HE       LYS 276  33.733  -4.158   1.688
  230   1HZ   LYS 276          1HZ       LYS 276  32.011  -5.498   1.946
  231   2HZ   LYS 276          2HZ       LYS 276  31.805  -5.582   0.261
  232   3HZ   LYS 276          3HZ       LYS 276  30.990  -4.395   1.162
  233   1HN   NH2 277          1HN       NH2 277  30.220  -1.639   0.243
  234   2HN   NH2 277          2HN       NH2 277  28.729  -0.807   0.197
  Start of MODEL   58
    1   1H    HIS 250          1H        HIS 250  55.083 -11.890  -0.610
    2   2H    HIS 250          2H        HIS 250  55.093 -10.524   0.401
    3   3H    HIS 250          3H        HIS 250  56.315 -10.735  -0.760
    4    HA   HIS 250           HA       HIS 250  55.043 -10.034  -2.472
    5   1HB   HIS 250          1HB       HIS 250  53.420 -11.939  -2.003
    6   2HB   HIS 250          2HB       HIS 250  52.541 -10.820  -0.961
    7    HD2  HIS 250           HD2      HIS 250  53.797 -10.619  -4.753
    8    HE1  HIS 250           HE1      HIS 250  50.004  -8.797  -4.426
    9    HE2  HIS 250           HE2      HIS 250  51.873  -9.405  -6.033
   10    H    ILE 251           H        ILE 251  56.024  -8.559  -0.288
   11    HA   ILE 251           HA       ILE 251  53.908  -6.579   0.256
   12    HB   ILE 251           HB       ILE 251  56.642  -6.829   1.529
   13   1HG1  ILE 251          1HG1      ILE 251  54.511  -7.450   3.318
   14   2HG1  ILE 251          2HG1      ILE 251  54.272  -8.418   1.862
   15   1HG2  ILE 251          1HG2      ILE 251  55.625  -5.353   3.243
   16   2HG2  ILE 251          2HG2      ILE 251  54.151  -5.267   2.279
   17   3HG2  ILE 251          3HG2      ILE 251  55.652  -4.583   1.657
   18   1HD1  ILE 251          1HD1      ILE 251  56.589  -9.230   2.004
   19   2HD1  ILE 251          2HD1      ILE 251  55.722  -9.584   3.498
   20   3HD1  ILE 251          3HD1      ILE 251  56.859  -8.237   3.437
   21    H    ASN 252           H        ASN 252  57.070  -7.011  -1.210
   22    HA   ASN 252           HA       ASN 252  57.658  -4.270  -1.645
   23   1HB   ASN 252          1HB       ASN 252  58.727  -6.866  -2.499
   24   2HB   ASN 252          2HB       ASN 252  58.910  -5.593  -3.706
   25   1HD2  ASN 252          1HD2      ASN 252  59.700  -6.456  -0.332
   26   2HD2  ASN 252          2HD2      ASN 252  60.964  -5.333  -0.174
   27    H    GLU 253           H        GLU 253  56.189  -6.746  -3.748
   28    HA   GLU 253           HA       GLU 253  55.839  -5.331  -6.073
   29   1HB   GLU 253          1HB       GLU 253  53.622  -7.018  -4.916
   30   2HB   GLU 253          2HB       GLU 253  54.071  -6.811  -6.609
   31   1HG   GLU 253          1HG       GLU 253  55.594  -8.298  -4.460
   32   2HG   GLU 253          2HG       GLU 253  54.921  -8.948  -5.953
   33    H    LEU 254           H        LEU 254  53.903  -5.162  -3.124
   34    HA   LEU 254           HA       LEU 254  51.965  -3.336  -4.174
   35   1HB   LEU 254          1HB       LEU 254  52.687  -4.328  -1.432
   36   2HB   LEU 254          2HB       LEU 254  51.571  -2.975  -1.622
   37    HG   LEU 254           HG       LEU 254  50.136  -4.341  -3.077
   38   1HD1  LEU 254          1HD1      LEU 254  50.692  -6.848  -3.135
   39   2HD1  LEU 254          2HD1      LEU 254  52.313  -6.387  -2.615
   40   3HD1  LEU 254          3HD1      LEU 254  51.681  -5.801  -4.153
   41   1HD2  LEU 254          1HD2      LEU 254  50.904  -5.470  -0.381
   42   2HD2  LEU 254          2HD2      LEU 254  49.574  -6.149  -1.320
   43   3HD2  LEU 254          3HD2      LEU 254  49.512  -4.467  -0.789
   44    H    LEU 255           H        LEU 255  55.055  -2.816  -4.057
   45    HA   LEU 255           HA       LEU 255  55.951  -0.836  -2.527
   46   1HB   LEU 255          1HB       LEU 255  57.024   0.205  -4.542
   47   2HB   LEU 255          2HB       LEU 255  57.249  -1.540  -4.423
   48    HG   LEU 255           HG       LEU 255  54.810  -1.067  -5.832
   49   1HD1  LEU 255          1HD1      LEU 255  57.203   0.492  -6.855
   50   2HD1  LEU 255          2HD1      LEU 255  55.638   1.156  -6.382
   51   3HD1  LEU 255          3HD1      LEU 255  55.766   0.132  -7.813
   52   1HD2  LEU 255          1HD2      LEU 255  55.992  -2.307  -7.600
   53   2HD2  LEU 255          2HD2      LEU 255  56.303  -3.036  -6.026
   54   3HD2  LEU 255          3HD2      LEU 255  57.529  -2.021  -6.784
   55    H    HIS 256           H        HIS 256  53.333  -0.458  -4.841
   56    HA   HIS 256           HA       HIS 256  53.195   2.408  -4.587
   57   1HB   HIS 256          1HB       HIS 256  51.306   0.340  -5.720
   58   2HB   HIS 256          2HB       HIS 256  50.948   2.068  -5.712
   59    HD2  HIS 256           HD2      HIS 256  53.182  -0.466  -7.642
   60    HE1  HIS 256           HE1      HIS 256  54.012   3.377  -9.183
   61    HE2  HIS 256           HE2      HIS 256  54.399   0.889  -9.517
   62    H    ILE 257           H        ILE 257  50.783  -0.066  -3.752
   63    HA   ILE 257           HA       ILE 257  49.310   1.547  -2.003
   64    HB   ILE 257           HB       ILE 257  49.544  -1.451  -1.768
   65   1HG1  ILE 257          1HG1      ILE 257  49.300  -1.006  -4.129
   66   2HG1  ILE 257          2HG1      ILE 257  47.718  -1.487  -3.517
   67   1HG2  ILE 257          1HG2      ILE 257  47.987   0.433  -0.432
   68   2HG2  ILE 257          2HG2      ILE 257  47.667  -1.297  -0.522
   69   3HG2  ILE 257          3HG2      ILE 257  46.908  -0.199  -1.674
   70   1HD1  ILE 257          1HD1      ILE 257  48.685   1.245  -4.316
   71   2HD1  ILE 257          2HD1      ILE 257  47.345   1.080  -3.181
   72   3HD1  ILE 257          3HD1      ILE 257  47.215   0.406  -4.805
   73    H    LEU 258           H        LEU 258  52.358   0.094  -1.602
   74    HA   LEU 258           HA       LEU 258  52.265  -0.254   1.245
   75   1HB   LEU 258          1HB       LEU 258  53.923  -1.582   0.381
   76   2HB   LEU 258          2HB       LEU 258  54.305  -0.449  -0.909
   77    HG   LEU 258           HG       LEU 258  55.565   0.962   0.626
   78   1HD1  LEU 258          1HD1      LEU 258  54.842   0.999   2.782
   79   2HD1  LEU 258          2HD1      LEU 258  55.798  -0.465   2.993
   80   3HD1  LEU 258          3HD1      LEU 258  54.078  -0.583   2.635
   81   1HD2  LEU 258          1HD2      LEU 258  56.397  -1.411  -0.274
   82   2HD2  LEU 258          2HD2      LEU 258  56.480  -1.753   1.454
   83   3HD2  LEU 258          3HD2      LEU 258  57.404  -0.413   0.774
   84    H    VAL 259           H        VAL 259  53.912   2.125  -0.856
   85    HA   VAL 259           HA       VAL 259  54.997   3.840   0.943
   86    HB   VAL 259           HB       VAL 259  53.366   4.730  -1.441
   87   1HG1  VAL 259          1HG1      VAL 259  54.825   6.184   0.505
   88   2HG1  VAL 259          2HG1      VAL 259  54.152   6.791  -1.008
   89   3HG1  VAL 259          3HG1      VAL 259  55.804   6.180  -0.960
   90   1HG2  VAL 259          1HG2      VAL 259  54.892   3.771  -2.769
   91   2HG2  VAL 259          2HG2      VAL 259  55.612   3.013  -1.345
   92   3HG2  VAL 259          3HG2      VAL 259  56.197   4.580  -1.902
   93    H    PHE 260           H        PHE 260  51.812   4.699  -0.402
   94    HA   PHE 260           HA       PHE 260  51.155   6.273   1.909
   95   1HB   PHE 260          1HB       PHE 260  48.786   5.930   0.530
   96   2HB   PHE 260          2HB       PHE 260  49.957   7.219   0.246
   97    HD1  PHE 260           HD1      PHE 260  51.855   6.786  -1.415
   98    HD2  PHE 260           HD2      PHE 260  48.371   4.292  -1.127
   99    HE1  PHE 260           HE1      PHE 260  52.335   5.859  -3.664
  100    HE2  PHE 260           HE2      PHE 260  48.845   3.372  -3.379
  101    HZ   PHE 260           HZ       PHE 260  50.829   4.147  -4.645
  102    H    GLY 261           H        GLY 261  49.053   3.799   0.483
  103   1HA   GLY 261          1HA       GLY 261  48.013   1.959   1.442
  104   2HA   GLY 261          2HA       GLY 261  49.000   2.196   2.882
  105    H    GLU 262           H        GLU 262  48.364   3.933   4.365
  106    HA   GLU 262           HA       GLU 262  45.479   3.987   4.691
  107   1HB   GLU 262          1HB       GLU 262  45.994   5.093   6.843
  108   2HB   GLU 262          2HB       GLU 262  46.888   3.585   6.646
  109   1HG   GLU 262          1HG       GLU 262  48.552   5.489   5.484
  110   2HG   GLU 262          2HG       GLU 262  47.896   6.315   6.896
  111    H    SER 263           H        SER 263  47.557   5.773   2.903
  112    HA   SER 263           HA       SER 263  46.559   8.420   3.526
  113   1HB   SER 263          1HB       SER 263  48.834   7.478   2.294
  114   2HB   SER 263          2HB       SER 263  47.878   8.060   0.934
  115    HG   SER 263           HG       SER 263  48.497   9.966   1.549
  116    H    LEU 264           H        LEU 264  46.528   6.532   0.497
  117    HA   LEU 264           HA       LEU 264  44.452   8.019  -0.699
  118   1HB   LEU 264          1HB       LEU 264  45.112   5.129  -1.289
  119   2HB   LEU 264          2HB       LEU 264  44.417   6.324  -2.384
  120    HG   LEU 264           HG       LEU 264  47.198   6.426  -1.179
  121   1HD1  LEU 264          1HD1      LEU 264  46.961   4.747  -2.965
  122   2HD1  LEU 264          2HD1      LEU 264  47.923   6.114  -3.525
  123   3HD1  LEU 264          3HD1      LEU 264  46.238   5.961  -4.020
  124   1HD2  LEU 264          1HD2      LEU 264  46.628   8.675  -1.439
  125   2HD2  LEU 264          2HD2      LEU 264  45.554   8.350  -2.800
  126   3HD2  LEU 264          3HD2      LEU 264  47.302   8.307  -3.026
  127    H    LEU 265           H        LEU 265  44.291   6.134   1.983
  128    HA   LEU 265           HA       LEU 265  41.955   4.594   1.608
  129   1HB   LEU 265          1HB       LEU 265  43.348   4.139   3.506
  130   2HB   LEU 265          2HB       LEU 265  43.215   5.799   4.080
  131    HG   LEU 265           HG       LEU 265  40.891   5.506   4.635
  132   1HD1  LEU 265          1HD1      LEU 265  41.194   2.937   3.081
  133   2HD1  LEU 265          2HD1      LEU 265  40.002   4.217   2.861
  134   3HD1  LEU 265          3HD1      LEU 265  39.895   3.143   4.255
  135   1HD2  LEU 265          1HD2      LEU 265  41.807   2.856   5.572
  136   2HD2  LEU 265          2HD2      LEU 265  41.255   4.250   6.501
  137   3HD2  LEU 265          3HD2      LEU 265  42.915   4.188   5.907
  138    H    ASN 266           H        ASN 266  42.268   7.649   3.435
  139    HA   ASN 266           HA       ASN 266  39.583   8.215   3.741
  140   1HB   ASN 266          1HB       ASN 266  40.215  10.399   4.290
  141   2HB   ASN 266          2HB       ASN 266  41.674   9.469   4.627
  142   1HD2  ASN 266          1HD2      ASN 266  43.238   9.331   2.626
  143   2HD2  ASN 266          2HD2      ASN 266  43.405  10.753   1.715
  144    H    ASP 267           H        ASP 267  41.530   8.403   0.880
  145    HA   ASP 267           HA       ASP 267  39.563  10.012  -0.560
  146   1HB   ASP 267          1HB       ASP 267  41.795  10.550  -1.138
  147   2HB   ASP 267          2HB       ASP 267  42.250   8.853  -1.283
  148    H    ALA 268           H        ALA 268  40.074   6.770   0.191
  149    HA   ALA 268           HA       ALA 268  38.908   5.732  -2.280
  150   1HB   ALA 268          1HB       ALA 268  39.967   3.837  -1.723
  151   2HB   ALA 268          2HB       ALA 268  39.153   3.785  -0.160
  152   3HB   ALA 268          3HB       ALA 268  40.655   4.691  -0.342
  153    H    VAL 269           H        VAL 269  38.133   5.900   1.189
  154    HA   VAL 269           HA       VAL 269  35.718   4.571   1.238
  155    HB   VAL 269           HB       VAL 269  36.207   7.160   2.714
  156   1HG1  VAL 269          1HG1      VAL 269  33.964   6.100   2.906
  157   2HG1  VAL 269          2HG1      VAL 269  34.841   6.074   4.435
  158   3HG1  VAL 269          3HG1      VAL 269  34.734   4.612   3.454
  159   1HG2  VAL 269          1HG2      VAL 269  37.359   4.397   3.120
  160   2HG2  VAL 269          2HG2      VAL 269  37.184   5.524   4.465
  161   3HG2  VAL 269          3HG2      VAL 269  38.207   5.943   3.090
  162    H    THR 270           H        THR 270  36.477   7.576  -0.283
  163    HA   THR 270           HA       THR 270  33.662   8.325  -0.570
  164    HB   THR 270           HB       THR 270  35.139  10.159  -0.104
  165    HG1  THR 270           HG1      THR 270  35.039  11.184  -2.346
  166   1HG2  THR 270          1HG2      THR 270  37.260   9.202  -0.736
  167   2HG2  THR 270          2HG2      THR 270  37.030  10.665  -1.693
  168   3HG2  THR 270          3HG2      THR 270  36.759   9.083  -2.422
  169    H    VAL 271           H        VAL 271  36.026   6.521  -2.190
  170    HA   VAL 271           HA       VAL 271  34.593   6.764  -4.767
  171    HB   VAL 271           HB       VAL 271  37.437   5.945  -4.147
  172   1HG1  VAL 271          1HG1      VAL 271  36.756   4.497  -5.907
  173   2HG1  VAL 271          2HG1      VAL 271  37.566   5.842  -6.710
  174   3HG1  VAL 271          3HG1      VAL 271  35.805   5.764  -6.683
  175   1HG2  VAL 271          1HG2      VAL 271  37.964   8.068  -4.707
  176   2HG2  VAL 271          2HG2      VAL 271  36.241   8.437  -4.646
  177   3HG2  VAL 271          3HG2      VAL 271  36.990   7.979  -6.175
  178    H    VAL 272           H        VAL 272  35.264   4.727  -2.120
  179    HA   VAL 272           HA       VAL 272  34.782   2.262  -3.614
  180    HB   VAL 272           HB       VAL 272  35.437   2.822  -0.719
  181   1HG1  VAL 272          1HG1      VAL 272  34.533   0.319  -2.115
  182   2HG1  VAL 272          2HG1      VAL 272  34.112   0.911  -0.508
  183   3HG1  VAL 272          3HG1      VAL 272  35.701   0.203  -0.798
  184   1HG2  VAL 272          1HG2      VAL 272  37.033   1.074  -2.544
  185   2HG2  VAL 272          2HG2      VAL 272  37.580   2.143  -1.252
  186   3HG2  VAL 272          3HG2      VAL 272  37.108   2.816  -2.812
  187    H    LEU 273           H        LEU 273  33.100   4.530  -1.597
  188    HA   LEU 273           HA       LEU 273  30.843   2.684  -1.235
  189   1HB   LEU 273          1HB       LEU 273  31.731   5.218   0.054
  190   2HB   LEU 273          2HB       LEU 273  30.000   4.885   0.012
  191    HG   LEU 273           HG       LEU 273  31.902   2.725   0.875
  192   1HD1  LEU 273          1HD1      LEU 273  32.641   4.211   2.467
  193   2HD1  LEU 273          2HD1      LEU 273  31.144   3.719   3.257
  194   3HD1  LEU 273          3HD1      LEU 273  31.204   5.224   2.340
  195   1HD2  LEU 273          1HD2      LEU 273  29.236   2.717   0.467
  196   2HD2  LEU 273          2HD2      LEU 273  29.261   3.271   2.142
  197   3HD2  LEU 273          3HD2      LEU 273  30.003   1.730   1.712
  198    H    TYR 274           H        TYR 274  31.797   5.560  -2.973
  199    HA   TYR 274           HA       TYR 274  29.078   6.061  -3.909
  200   1HB   TYR 274          1HB       TYR 274  31.709   7.462  -4.408
  201   2HB   TYR 274          2HB       TYR 274  30.179   7.958  -5.134
  202    HD1  TYR 274           HD1      TYR 274  28.810   9.472  -3.982
  203    HD2  TYR 274           HD2      TYR 274  31.679   7.139  -1.795
  204    HE1  TYR 274           HE1      TYR 274  28.230  10.701  -1.910
  205    HE2  TYR 274           HE2      TYR 274  31.099   8.370   0.278
  206    HH   TYR 274           HH       TYR 274  28.908  11.137   0.218
  207    H    LYS 275           H        LYS 275  32.018   6.254  -5.855
  208    HA   LYS 275           HA       LYS 275  30.728   5.186  -8.156
  209   1HB   LYS 275          1HB       LYS 275  33.698   5.467  -7.657
  210   2HB   LYS 275          2HB       LYS 275  32.893   5.349  -9.221
  211   1HG   LYS 275          1HG       LYS 275  31.539   7.443  -8.128
  212   2HG   LYS 275          2HG       LYS 275  33.124   7.665  -7.387
  213   1HD   LYS 275          1HD       LYS 275  33.316   8.861  -9.402
  214   2HD   LYS 275          2HD       LYS 275  34.045   7.305  -9.798
  215   1HE   LYS 275          1HE       LYS 275  32.600   7.378 -11.565
  216   2HE   LYS 275          2HE       LYS 275  31.442   6.779 -10.377
  217   1HZ   LYS 275          1HZ       LYS 275  30.511   8.669 -11.470
  218   2HZ   LYS 275          2HZ       LYS 275  31.893   9.607 -11.160
  219   3HZ   LYS 275          3HZ       LYS 275  30.888   9.121  -9.879
  220    H    LYS 276           H        LYS 276  32.064   3.696  -5.429
  221    HA   LYS 276           HA       LYS 276  32.515   1.509  -4.897
  222   1HB   LYS 276          1HB       LYS 276  30.381   1.474  -6.818
  223   2HB   LYS 276          2HB       LYS 276  31.431   0.085  -7.097
  224   1HG   LYS 276          1HG       LYS 276  29.734  -0.544  -5.476
  225   2HG   LYS 276          2HG       LYS 276  31.286  -0.443  -4.645
  226   1HD   LYS 276          1HD       LYS 276  30.335   1.003  -3.204
  227   2HD   LYS 276          2HD       LYS 276  30.206   2.156  -4.532
  228   1HE   LYS 276          1HE       LYS 276  28.019   1.188  -5.155
  229   2HE   LYS 276          2HE       LYS 276  28.145   0.050  -3.814
  230   1HZ   LYS 276          1HZ       LYS 276  27.692   1.636  -2.303
  231   2HZ   LYS 276          2HZ       LYS 276  26.945   2.408  -3.620
  232   3HZ   LYS 276          3HZ       LYS 276  28.516   2.853  -3.149
  233   1HN   NH2 277          1HN       NH2 277  34.622   0.790  -5.095
  234   2HN   NH2 277          2HN       NH2 277  35.421   0.503  -6.577
  Start of MODEL   59
    1   1H    HIS 250          1H        HIS 250  69.336   6.273  10.748
    2   2H    HIS 250          2H        HIS 250  68.817   7.626   9.862
    3   3H    HIS 250          3H        HIS 250  68.968   6.116   9.099
    4    HA   HIS 250           HA       HIS 250  67.181   5.213  10.426
    5   1HB   HIS 250          1HB       HIS 250  67.763   7.562  11.987
    6   2HB   HIS 250          2HB       HIS 250  66.064   7.580  11.515
    7    HD2  HIS 250           HD2      HIS 250  65.198   4.504  11.830
    8    HE1  HIS 250           HE1      HIS 250  67.042   4.594  15.626
    9    HE2  HIS 250           HE2      HIS 250  65.411   3.326  14.151
   10    H    ILE 251           H        ILE 251  65.125   5.256   9.511
   11    HA   ILE 251           HA       ILE 251  64.818   7.149   7.276
   12    HB   ILE 251           HB       ILE 251  62.947   5.388   6.690
   13   1HG1  ILE 251          1HG1      ILE 251  63.471   3.144   7.504
   14   2HG1  ILE 251          2HG1      ILE 251  64.825   3.769   8.444
   15   1HG2  ILE 251          1HG2      ILE 251  64.959   3.896   5.806
   16   2HG2  ILE 251          2HG2      ILE 251  65.918   5.262   6.372
   17   3HG2  ILE 251          3HG2      ILE 251  64.669   5.507   5.151
   18   1HD1  ILE 251          1HD1      ILE 251  63.394   4.923   9.945
   19   2HD1  ILE 251          2HD1      ILE 251  62.621   3.355   9.710
   20   3HD1  ILE 251          3HD1      ILE 251  62.009   4.776   8.862
   21    H    ASN 252           H        ASN 252  64.226   7.823  10.070
   22    HA   ASN 252           HA       ASN 252  61.554   7.737  10.791
   23   1HB   ASN 252          1HB       ASN 252  63.801   9.618  11.290
   24   2HB   ASN 252          2HB       ASN 252  62.178  10.208  11.639
   25   1HD2  ASN 252          1HD2      ASN 252  64.532   7.667  12.482
   26   2HD2  ASN 252          2HD2      ASN 252  63.780   7.229  13.939
   27    H    GLU 253           H        GLU 253  62.813   9.077   7.962
   28    HA   GLU 253           HA       GLU 253  61.344  11.378   7.513
   29   1HB   GLU 253          1HB       GLU 253  61.172  10.422   5.071
   30   2HB   GLU 253          2HB       GLU 253  62.750  10.865   5.735
   31   1HG   GLU 253          1HG       GLU 253  63.276   8.587   6.251
   32   2HG   GLU 253          2HG       GLU 253  61.620   8.067   5.947
   33    H    LEU 254           H        LEU 254  60.209   8.259   8.157
   34    HA   LEU 254           HA       LEU 254  57.964   7.768   6.767
   35   1HB   LEU 254          1HB       LEU 254  57.850   7.815   9.781
   36   2HB   LEU 254          2HB       LEU 254  57.039   6.707   8.674
   37    HG   LEU 254           HG       LEU 254  60.005   6.862   9.268
   38   1HD1  LEU 254          1HD1      LEU 254  58.677   4.270   9.347
   39   2HD1  LEU 254          2HD1      LEU 254  57.920   5.422  10.446
   40   3HD1  LEU 254          3HD1      LEU 254  59.642   5.068  10.588
   41   1HD2  LEU 254          1HD2      LEU 254  59.939   6.467   6.937
   42   2HD2  LEU 254          2HD2      LEU 254  58.473   5.492   7.057
   43   3HD2  LEU 254          3HD2      LEU 254  60.011   4.848   7.632
   44    H    LEU 255           H        LEU 255  58.390  10.422   9.045
   45    HA   LEU 255           HA       LEU 255  55.755  11.266   9.333
   46   1HB   LEU 255          1HB       LEU 255  56.712  13.545   9.678
   47   2HB   LEU 255          2HB       LEU 255  57.529  12.297  10.618
   48    HG   LEU 255           HG       LEU 255  58.912  12.325   8.196
   49   1HD1  LEU 255          1HD1      LEU 255  59.503  14.700   7.880
   50   2HD1  LEU 255          2HD1      LEU 255  58.319  15.156   9.104
   51   3HD1  LEU 255          3HD1      LEU 255  57.785  14.431   7.588
   52   1HD2  LEU 255          1HD2      LEU 255  60.718  13.317   9.560
   53   2HD2  LEU 255          2HD2      LEU 255  59.860  12.069  10.463
   54   3HD2  LEU 255          3HD2      LEU 255  59.538  13.771  10.789
   55    H    HIS 256           H        HIS 256  57.715  11.217   6.533
   56    HA   HIS 256           HA       HIS 256  56.382  13.335   5.112
   57   1HB   HIS 256          1HB       HIS 256  58.380  11.205   4.394
   58   2HB   HIS 256          2HB       HIS 256  57.534  12.082   3.116
   59    HD2  HIS 256           HD2      HIS 256  59.897  12.961   6.180
   60    HE1  HIS 256           HE1      HIS 256  60.043  16.123   3.387
   61    HE2  HIS 256           HE2      HIS 256  61.013  15.241   5.562
   62    H    ILE 257           H        ILE 257  56.508   9.824   4.455
   63    HA   ILE 257           HA       ILE 257  53.903  10.022   3.126
   64    HB   ILE 257           HB       ILE 257  54.409   7.718   2.349
   65   1HG1  ILE 257          1HG1      ILE 257  57.173   7.573   2.919
   66   2HG1  ILE 257          2HG1      ILE 257  56.382   7.940   4.453
   67   1HG2  ILE 257          1HG2      ILE 257  55.951  10.143   1.786
   68   2HG2  ILE 257          2HG2      ILE 257  55.236   8.984   0.665
   69   3HG2  ILE 257          3HG2      ILE 257  56.824   8.670   1.364
   70   1HD1  ILE 257          1HD1      ILE 257  56.514   5.498   4.072
   71   2HD1  ILE 257          2HD1      ILE 257  55.600   5.689   2.576
   72   3HD1  ILE 257          3HD1      ILE 257  54.840   6.051   4.125
   73    H    LEU 258           H        LEU 258  54.763   9.681   6.203
   74    HA   LEU 258           HA       LEU 258  53.871   7.405   7.346
   75   1HB   LEU 258          1HB       LEU 258  54.055  10.139   8.174
   76   2HB   LEU 258          2HB       LEU 258  52.545   9.470   8.785
   77    HG   LEU 258           HG       LEU 258  55.274   8.174   9.130
   78   1HD1  LEU 258          1HD1      LEU 258  55.532   9.535  10.901
   79   2HD1  LEU 258          2HD1      LEU 258  54.043   8.894  11.592
   80   3HD1  LEU 258          3HD1      LEU 258  53.990  10.315  10.550
   81   1HD2  LEU 258          1HD2      LEU 258  52.586   7.182   9.355
   82   2HD2  LEU 258          2HD2      LEU 258  53.293   7.262  10.969
   83   3HD2  LEU 258          3HD2      LEU 258  54.096   6.337   9.700
   84    H    VAL 259           H        VAL 259  51.536  10.080   7.058
   85    HA   VAL 259           HA       VAL 259  49.389   8.102   6.806
   86    HB   VAL 259           HB       VAL 259  48.034  10.390   6.886
   87   1HG1  VAL 259          1HG1      VAL 259  49.439   9.075   9.230
   88   2HG1  VAL 259          2HG1      VAL 259  47.867   8.633   8.563
   89   3HG1  VAL 259          3HG1      VAL 259  48.075  10.182   9.381
   90   1HG2  VAL 259          1HG2      VAL 259  49.159  12.143   8.037
   91   2HG2  VAL 259          2HG2      VAL 259  50.280  11.645   6.770
   92   3HG2  VAL 259          3HG2      VAL 259  50.531  11.109   8.432
   93    H    PHE 260           H        PHE 260  50.617  10.988   5.124
   94    HA   PHE 260           HA       PHE 260  48.909  11.260   3.032
   95   1HB   PHE 260          1HB       PHE 260  51.932  11.268   2.860
   96   2HB   PHE 260          2HB       PHE 260  50.840  11.978   1.669
   97    HD1  PHE 260           HD1      PHE 260  52.056  12.203   5.163
   98    HD2  PHE 260           HD2      PHE 260  49.708  14.063   2.085
   99    HE1  PHE 260           HE1      PHE 260  51.921  14.275   6.519
  100    HE2  PHE 260           HE2      PHE 260  49.574  16.136   3.440
  101    HZ   PHE 260           HZ       PHE 260  50.681  16.242   5.657
  102    H    GLY 261           H        GLY 261  50.959   8.556   3.684
  103   1HA   GLY 261          1HA       GLY 261  50.591   7.427   1.005
  104   2HA   GLY 261          2HA       GLY 261  51.608   6.767   2.282
  105    H    GLU 262           H        GLU 262  49.503   6.982   4.324
  106    HA   GLU 262           HA       GLU 262  48.178   4.474   3.739
  107   1HB   GLU 262          1HB       GLU 262  47.744   4.326   6.000
  108   2HB   GLU 262          2HB       GLU 262  49.170   5.361   6.020
  109   1HG   GLU 262          1HG       GLU 262  47.731   6.544   7.412
  110   2HG   GLU 262          2HG       GLU 262  47.400   7.311   5.865
  111    H    SER 263           H        SER 263  47.389   7.850   3.713
  112    HA   SER 263           HA       SER 263  44.599   7.741   3.983
  113   1HB   SER 263          1HB       SER 263  44.687   9.850   2.525
  114   2HB   SER 263          2HB       SER 263  45.594   9.885   4.034
  115    HG   SER 263           HG       SER 263  47.192  10.386   2.755
  116    H    LEU 264           H        LEU 264  46.522   6.302   1.666
  117    HA   LEU 264           HA       LEU 264  45.207   6.637  -0.753
  118   1HB   LEU 264          1HB       LEU 264  47.077   4.777   0.372
  119   2HB   LEU 264          2HB       LEU 264  45.860   3.887  -0.543
  120    HG   LEU 264           HG       LEU 264  47.367   6.296  -1.602
  121   1HD1  LEU 264          1HD1      LEU 264  49.005   4.607  -1.458
  122   2HD1  LEU 264          2HD1      LEU 264  48.379   4.425  -3.096
  123   3HD1  LEU 264          3HD1      LEU 264  47.847   3.328  -1.823
  124   1HD2  LEU 264          1HD2      LEU 264  44.992   4.964  -2.439
  125   2HD2  LEU 264          2HD2      LEU 264  46.262   4.537  -3.587
  126   3HD2  LEU 264          3HD2      LEU 264  45.875   6.232  -3.289
  127    H    LEU 265           H        LEU 265  44.099   5.115   2.128
  128    HA   LEU 265           HA       LEU 265  42.019   3.582   0.783
  129   1HB   LEU 265          1HB       LEU 265  43.174   2.725   2.833
  130   2HB   LEU 265          2HB       LEU 265  42.451   4.048   3.743
  131    HG   LEU 265           HG       LEU 265  40.188   3.237   3.076
  132   1HD1  LEU 265          1HD1      LEU 265  40.379   0.680   2.302
  133   2HD1  LEU 265          2HD1      LEU 265  41.870   1.275   1.573
  134   3HD1  LEU 265          3HD1      LEU 265  40.324   1.999   1.133
  135   1HD2  LEU 265          1HD2      LEU 265  40.944   0.772   4.242
  136   2HD2  LEU 265          2HD2      LEU 265  40.334   2.205   5.070
  137   3HD2  LEU 265          3HD2      LEU 265  42.071   1.978   4.863
  138    H    ASN 266           H        ASN 266  42.248   6.357   2.999
  139    HA   ASN 266           HA       ASN 266  39.521   6.925   3.223
  140   1HB   ASN 266          1HB       ASN 266  40.248   8.675   4.434
  141   2HB   ASN 266          2HB       ASN 266  41.876   8.075   4.122
  142   1HD2  ASN 266          1HD2      ASN 266  42.897   8.921   2.005
  143   2HD2  ASN 266          2HD2      ASN 266  42.524  10.512   1.545
  144    H    ASP 267           H        ASP 267  41.669   7.319   0.558
  145    HA   ASP 267           HA       ASP 267  40.493   9.437  -0.839
  146   1HB   ASP 267          1HB       ASP 267  42.397   8.793  -1.916
  147   2HB   ASP 267          2HB       ASP 267  42.158   7.087  -1.542
  148    H    ALA 268           H        ALA 268  39.485   6.105  -0.453
  149    HA   ALA 268           HA       ALA 268  37.390   6.362  -2.470
  150   1HB   ALA 268          1HB       ALA 268  37.896   4.063  -0.570
  151   2HB   ALA 268          2HB       ALA 268  38.696   4.233  -2.132
  152   3HB   ALA 268          3HB       ALA 268  36.945   4.037  -2.055
  153    H    VAL 269           H        VAL 269  37.807   6.584   0.972
  154    HA   VAL 269           HA       VAL 269  35.101   6.182   1.743
  155    HB   VAL 269           HB       VAL 269  37.307   7.746   3.103
  156   1HG1  VAL 269          1HG1      VAL 269  35.437   8.473   4.252
  157   2HG1  VAL 269          2HG1      VAL 269  35.735   6.962   5.111
  158   3HG1  VAL 269          3HG1      VAL 269  34.502   7.032   3.852
  159   1HG2  VAL 269          1HG2      VAL 269  37.620   5.238   2.605
  160   2HG2  VAL 269          2HG2      VAL 269  36.302   4.968   3.745
  161   3HG2  VAL 269          3HG2      VAL 269  37.792   5.739   4.286
  162    H    THR 270           H        THR 270  36.367   8.502  -0.207
  163    HA   THR 270           HA       THR 270  34.784  10.737   0.807
  164    HB   THR 270           HB       THR 270  35.902  12.073  -0.784
  165    HG1  THR 270           HG1      THR 270  35.921  11.193  -2.691
  166   1HG2  THR 270          1HG2      THR 270  38.079  10.064  -0.424
  167   2HG2  THR 270          2HG2      THR 270  37.317  10.711   1.030
  168   3HG2  THR 270          3HG2      THR 270  38.091  11.801  -0.119
  169    H    VAL 271           H        VAL 271  34.448   8.111  -1.339
  170    HA   VAL 271           HA       VAL 271  31.901   9.214  -2.302
  171    HB   VAL 271           HB       VAL 271  33.941   7.908  -4.117
  172   1HG1  VAL 271          1HG1      VAL 271  32.306   8.647  -5.880
  173   2HG1  VAL 271          2HG1      VAL 271  31.186   9.081  -4.589
  174   3HG1  VAL 271          3HG1      VAL 271  31.673   7.400  -4.806
  175   1HG2  VAL 271          1HG2      VAL 271  33.158  10.769  -3.595
  176   2HG2  VAL 271          2HG2      VAL 271  33.732  10.286  -5.191
  177   3HG2  VAL 271          3HG2      VAL 271  34.771  10.080  -3.780
  178    H    VAL 272           H        VAL 272  33.992   6.329  -2.605
  179    HA   VAL 272           HA       VAL 272  31.976   4.437  -2.935
  180    HB   VAL 272           HB       VAL 272  34.628   4.101  -1.514
  181   1HG1  VAL 272          1HG1      VAL 272  32.552   2.185  -2.557
  182   2HG1  VAL 272          2HG1      VAL 272  33.401   2.161  -1.012
  183   3HG1  VAL 272          3HG1      VAL 272  34.250   1.712  -2.491
  184   1HG2  VAL 272          1HG2      VAL 272  34.818   5.012  -3.812
  185   2HG2  VAL 272          2HG2      VAL 272  33.835   3.679  -4.414
  186   3HG2  VAL 272          3HG2      VAL 272  35.427   3.360  -3.724
  187    H    LEU 273           H        LEU 273  32.628   6.356  -0.225
  188    HA   LEU 273           HA       LEU 273  32.086   4.741   1.956
  189   1HB   LEU 273          1HB       LEU 273  32.727   7.023   2.314
  190   2HB   LEU 273          2HB       LEU 273  31.334   7.620   1.417
  191    HG   LEU 273           HG       LEU 273  29.810   6.874   3.132
  192   1HD1  LEU 273          1HD1      LEU 273  32.247   5.442   4.190
  193   2HD1  LEU 273          2HD1      LEU 273  30.657   4.775   3.820
  194   3HD1  LEU 273          3HD1      LEU 273  30.874   5.802   5.237
  195   1HD2  LEU 273          1HD2      LEU 273  30.931   8.999   3.602
  196   2HD2  LEU 273          2HD2      LEU 273  32.273   8.145   4.365
  197   3HD2  LEU 273          3HD2      LEU 273  30.673   8.117   5.107
  198    H    TYR 274           H        TYR 274  29.628   6.823   0.414
  199    HA   TYR 274           HA       TYR 274  27.533   5.031   1.386
  200   1HB   TYR 274          1HB       TYR 274  26.062   6.853   0.274
  201   2HB   TYR 274          2HB       TYR 274  26.944   7.273   1.743
  202    HD1  TYR 274           HD1      TYR 274  26.516   7.946  -1.791
  203    HD2  TYR 274           HD2      TYR 274  29.159   8.482   1.551
  204    HE1  TYR 274           HE1      TYR 274  27.695   9.752  -3.014
  205    HE2  TYR 274           HE2      TYR 274  30.340  10.287   0.328
  206    HH   TYR 274           HH       TYR 274  30.569  10.780  -2.448
  207    H    LYS 275           H        LYS 275  28.596   6.449  -1.708
  208    HA   LYS 275           HA       LYS 275  26.862   5.326  -3.483
  209   1HB   LYS 275          1HB       LYS 275  29.869   5.458  -3.823
  210   2HB   LYS 275          2HB       LYS 275  28.688   5.311  -5.125
  211   1HG   LYS 275          1HG       LYS 275  27.724   7.485  -3.749
  212   2HG   LYS 275          2HG       LYS 275  29.465   7.683  -3.554
  213   1HD   LYS 275          1HD       LYS 275  28.987   8.802  -5.582
  214   2HD   LYS 275          2HD       LYS 275  29.610   7.234  -6.095
  215   1HE   LYS 275          1HE       LYS 275  27.710   7.116  -7.335
  216   2HE   LYS 275          2HE       LYS 275  26.931   6.700  -5.809
  217   1HZ   LYS 275          1HZ       LYS 275  26.698   9.185  -5.483
  218   2HZ   LYS 275          2HZ       LYS 275  25.703   8.475  -6.661
  219   3HZ   LYS 275          3HZ       LYS 275  27.087   9.342  -7.126
  220    H    LYS 276           H        LYS 276  29.589   3.718  -1.903
  221    HA   LYS 276           HA       LYS 276  30.289   1.510  -1.958
  222   1HB   LYS 276          1HB       LYS 276  27.298   1.308  -1.574
  223   2HB   LYS 276          2HB       LYS 276  28.398  -0.058  -1.383
  224   1HG   LYS 276          1HG       LYS 276  29.199   2.405   0.048
  225   2HG   LYS 276          2HG       LYS 276  27.728   1.636   0.648
  226   1HD   LYS 276          1HD       LYS 276  28.890  -0.480   0.935
  227   2HD   LYS 276          2HD       LYS 276  30.346   0.178   0.188
  228   1HE   LYS 276          1HE       LYS 276  30.862   1.499   2.029
  229   2HE   LYS 276          2HE       LYS 276  29.187   1.576   2.572
  230   1HZ   LYS 276          1HZ       LYS 276  29.863  -1.089   2.626
  231   2HZ   LYS 276          2HZ       LYS 276  29.677  -0.057   3.963
  232   3HZ   LYS 276          3HZ       LYS 276  31.211  -0.287   3.270
  233   1HN   NH2 277          1HN       NH2 277  29.351   2.706  -4.681
  234   2HN   NH2 277          2HN       NH2 277  29.108   1.317  -5.643
  Start of MODEL   60
    1   1H    HIS 250          1H        HIS 250  59.241  -2.126  -1.219
    2   2H    HIS 250          2H        HIS 250  59.738  -3.739  -1.410
    3   3H    HIS 250          3H        HIS 250  60.868  -2.478  -1.551
    4    HA   HIS 250           HA       HIS 250  60.512  -3.915   0.670
    5   1HB   HIS 250          1HB       HIS 250  61.963  -1.668  -0.164
    6   2HB   HIS 250          2HB       HIS 250  61.170  -1.158   1.326
    7    HD2  HIS 250           HD2      HIS 250  61.435  -3.698   3.239
    8    HE1  HIS 250           HE1      HIS 250  65.489  -3.925   2.081
    9    HE2  HIS 250           HE2      HIS 250  63.787  -4.680   3.808
   10    H    ILE 251           H        ILE 251  59.500  -3.673   2.686
   11    HA   ILE 251           HA       ILE 251  56.916  -2.320   2.566
   12    HB   ILE 251           HB       ILE 251  56.821  -3.450   4.957
   13   1HG1  ILE 251          1HG1      ILE 251  59.381  -4.056   4.465
   14   2HG1  ILE 251          2HG1      ILE 251  58.336  -5.139   5.379
   15   1HG2  ILE 251          1HG2      ILE 251  55.308  -4.134   3.271
   16   2HG2  ILE 251          2HG2      ILE 251  56.148  -5.614   3.732
   17   3HG2  ILE 251          3HG2      ILE 251  56.598  -4.769   2.250
   18   1HD1  ILE 251          1HD1      ILE 251  58.590  -5.366   2.375
   19   2HD1  ILE 251          2HD1      ILE 251  57.998  -6.570   3.520
   20   3HD1  ILE 251          3HD1      ILE 251  59.715  -6.176   3.464
   21    H    ASN 252           H        ASN 252  60.036  -1.660   3.648
   22    HA   ASN 252           HA       ASN 252  59.390  -0.124   5.986
   23   1HB   ASN 252          1HB       ASN 252  61.811  -0.663   4.354
   24   2HB   ASN 252          2HB       ASN 252  61.799   0.837   5.279
   25   1HD2  ASN 252          1HD2      ASN 252  60.323  -2.328   6.136
   26   2HD2  ASN 252          2HD2      ASN 252  61.222  -2.528   7.561
   27    H    GLU 253           H        GLU 253  58.734   0.382   2.790
   28    HA   GLU 253           HA       GLU 253  59.427   3.024   2.254
   29   1HB   GLU 253          1HB       GLU 253  57.309   3.022   0.836
   30   2HB   GLU 253          2HB       GLU 253  58.469   1.737   0.496
   31   1HG   GLU 253          1HG       GLU 253  57.182   0.172   1.872
   32   2HG   GLU 253          2HG       GLU 253  56.046   1.452   2.297
   33    H    LEU 254           H        LEU 254  57.483   1.854   4.732
   34    HA   LEU 254           HA       LEU 254  55.394   3.600   5.053
   35   1HB   LEU 254          1HB       LEU 254  57.288   2.453   7.102
   36   2HB   LEU 254          2HB       LEU 254  55.861   3.389   7.546
   37    HG   LEU 254           HG       LEU 254  55.414   1.221   5.574
   38   1HD1  LEU 254          1HD1      LEU 254  56.047   0.665   8.488
   39   2HD1  LEU 254          2HD1      LEU 254  56.978   0.108   7.097
   40   3HD1  LEU 254          3HD1      LEU 254  55.346  -0.502   7.367
   41   1HD2  LEU 254          1HD2      LEU 254  53.967   1.849   8.155
   42   2HD2  LEU 254          2HD2      LEU 254  53.329   1.048   6.720
   43   3HD2  LEU 254          3HD2      LEU 254  53.690   2.773   6.679
   44    H    LEU 255           H        LEU 255  58.804   4.241   5.377
   45    HA   LEU 255           HA       LEU 255  58.294   6.924   6.450
   46   1HB   LEU 255          1HB       LEU 255  60.459   5.027   6.615
   47   2HB   LEU 255          2HB       LEU 255  61.049   6.572   6.002
   48    HG   LEU 255           HG       LEU 255  59.309   6.286   8.467
   49   1HD1  LEU 255          1HD1      LEU 255  61.486   6.877   9.651
   50   2HD1  LEU 255          2HD1      LEU 255  62.311   6.497   8.140
   51   3HD1  LEU 255          3HD1      LEU 255  61.404   5.245   8.988
   52   1HD2  LEU 255          1HD2      LEU 255  59.209   8.539   8.414
   53   2HD2  LEU 255          2HD2      LEU 255  59.994   8.496   6.833
   54   3HD2  LEU 255          3HD2      LEU 255  60.967   8.646   8.296
   55    H    HIS 256           H        HIS 256  58.600   5.419   3.465
   56    HA   HIS 256           HA       HIS 256  59.939   7.664   2.163
   57   1HB   HIS 256          1HB       HIS 256  58.886   5.023   1.148
   58   2HB   HIS 256          2HB       HIS 256  59.576   6.258   0.094
   59    HD2  HIS 256           HD2      HIS 256  61.166   5.469   3.612
   60    HE1  HIS 256           HE1      HIS 256  63.883   4.244   0.621
   61    HE2  HIS 256           HE2      HIS 256  63.564   4.553   3.121
   62    H    ILE 257           H        ILE 257  57.300   5.964   0.628
   63    HA   ILE 257           HA       ILE 257  55.927   8.540   0.296
   64    HB   ILE 257           HB       ILE 257  54.750   6.374  -1.220
   65   1HG1  ILE 257          1HG1      ILE 257  56.790   6.244  -2.799
   66   2HG1  ILE 257          2HG1      ILE 257  57.746   6.774  -1.419
   67   1HG2  ILE 257          1HG2      ILE 257  56.226   8.902  -2.010
   68   2HG2  ILE 257          2HG2      ILE 257  54.498   8.782  -1.677
   69   3HG2  ILE 257          3HG2      ILE 257  55.189   7.943  -3.066
   70   1HD1  ILE 257          1HD1      ILE 257  56.199   4.772  -0.321
   71   2HD1  ILE 257          2HD1      ILE 257  57.851   4.560  -0.901
   72   3HD1  ILE 257          3HD1      ILE 257  56.491   4.165  -1.950
   73    H    LEU 258           H        LEU 258  55.235   5.150   1.133
   74    HA   LEU 258           HA       LEU 258  52.565   5.178   1.593
   75   1HB   LEU 258          1HB       LEU 258  54.838   3.750   2.784
   76   2HB   LEU 258          2HB       LEU 258  53.424   3.838   3.831
   77    HG   LEU 258           HG       LEU 258  53.452   1.827   2.312
   78   1HD1  LEU 258          1HD1      LEU 258  51.092   3.023   1.225
   79   2HD1  LEU 258          2HD1      LEU 258  51.320   3.652   2.857
   80   3HD1  LEU 258          3HD1      LEU 258  51.224   1.912   2.588
   81   1HD2  LEU 258          1HD2      LEU 258  53.611   2.021   0.049
   82   2HD2  LEU 258          2HD2      LEU 258  54.297   3.606   0.406
   83   3HD2  LEU 258          3HD2      LEU 258  52.586   3.455   0.004
   84    H    VAL 259           H        VAL 259  54.926   7.044   3.272
   85    HA   VAL 259           HA       VAL 259  53.890   7.534   5.748
   86    HB   VAL 259           HB       VAL 259  54.917   9.603   3.787
   87   1HG1  VAL 259          1HG1      VAL 259  55.508  10.817   5.936
   88   2HG1  VAL 259          2HG1      VAL 259  54.479   9.662   6.783
   89   3HG1  VAL 259          3HG1      VAL 259  53.783  10.743   5.576
   90   1HG2  VAL 259          1HG2      VAL 259  56.393   8.233   6.041
   91   2HG2  VAL 259          2HG2      VAL 259  57.071   9.176   4.714
   92   3HG2  VAL 259          3HG2      VAL 259  56.381   7.584   4.402
   93    H    PHE 260           H        PHE 260  53.026   9.527   2.915
   94    HA   PHE 260           HA       PHE 260  50.514  10.258   4.231
   95   1HB   PHE 260          1HB       PHE 260  50.407  11.655   1.966
   96   2HB   PHE 260          2HB       PHE 260  51.364  12.201   3.342
   97    HD1  PHE 260           HD1      PHE 260  51.436  11.026  -0.086
   98    HD2  PHE 260           HD2      PHE 260  53.835  11.667   3.420
   99    HE1  PHE 260           HE1      PHE 260  53.491  10.912  -1.470
  100    HE2  PHE 260           HE2      PHE 260  55.889  11.552   2.036
  101    HZ   PHE 260           HZ       PHE 260  55.717  11.175  -0.410
  102    H    GLY 261           H        GLY 261  51.757   8.337   1.603
  103   1HA   GLY 261          1HA       GLY 261  49.536   8.050  -0.037
  104   2HA   GLY 261          2HA       GLY 261  50.731   6.787   0.242
  105    H    GLU 262           H        GLU 262  49.827   7.225   3.234
  106    HA   GLU 262           HA       GLU 262  48.238   4.911   3.429
  107   1HB   GLU 262          1HB       GLU 262  49.059   7.099   5.272
  108   2HB   GLU 262          2HB       GLU 262  47.679   6.112   5.755
  109   1HG   GLU 262          1HG       GLU 262  48.956   4.106   5.687
  110   2HG   GLU 262          2HG       GLU 262  50.270   4.884   4.807
  111    H    SER 263           H        SER 263  47.423   8.074   2.496
  112    HA   SER 263           HA       SER 263  44.694   8.065   3.416
  113   1HB   SER 263          1HB       SER 263  44.825  10.230   2.850
  114   2HB   SER 263          2HB       SER 263  46.469   9.948   2.285
  115    HG   SER 263           HG       SER 263  45.718  10.255   0.357
  116    H    LEU 264           H        LEU 264  46.213   6.212   1.187
  117    HA   LEU 264           HA       LEU 264  44.749   6.272  -1.153
  118   1HB   LEU 264          1HB       LEU 264  45.338   3.941  -1.446
  119   2HB   LEU 264          2HB       LEU 264  46.696   4.775  -0.691
  120    HG   LEU 264           HG       LEU 264  45.188   3.972   1.486
  121   1HD1  LEU 264          1HD1      LEU 264  44.715   1.582   1.097
  122   2HD1  LEU 264          2HD1      LEU 264  45.193   1.759  -0.592
  123   3HD1  LEU 264          3HD1      LEU 264  43.761   2.594   0.011
  124   1HD2  LEU 264          1HD2      LEU 264  46.978   2.140   1.625
  125   2HD2  LEU 264          2HD2      LEU 264  47.569   3.794   1.473
  126   3HD2  LEU 264          3HD2      LEU 264  47.555   2.730   0.066
  127    H    LEU 265           H        LEU 265  43.723   5.335   2.013
  128    HA   LEU 265           HA       LEU 265  41.350   3.941   1.049
  129   1HB   LEU 265          1HB       LEU 265  42.642   3.258   3.125
  130   2HB   LEU 265          2HB       LEU 265  42.006   4.712   3.895
  131    HG   LEU 265           HG       LEU 265  39.735   3.628   2.795
  132   1HD1  LEU 265          1HD1      LEU 265  39.741   1.244   3.276
  133   2HD1  LEU 265          2HD1      LEU 265  41.397   1.332   3.877
  134   3HD1  LEU 265          3HD1      LEU 265  41.065   1.596   2.165
  135   1HD2  LEU 265          1HD2      LEU 265  39.898   4.496   5.059
  136   2HD2  LEU 265          2HD2      LEU 265  40.969   3.176   5.530
  137   3HD2  LEU 265          3HD2      LEU 265  39.280   2.847   5.144
  138    H    ASN 266           H        ASN 266  42.259   7.042   2.432
  139    HA   ASN 266           HA       ASN 266  39.654   7.988   3.008
  140   1HB   ASN 266          1HB       ASN 266  42.296   9.328   2.487
  141   2HB   ASN 266          2HB       ASN 266  40.828  10.279   2.710
  142   1HD2  ASN 266          1HD2      ASN 266  42.653   7.613   4.322
  143   2HD2  ASN 266          2HD2      ASN 266  42.260   8.108   5.897
  144    H    ASP 267           H        ASP 267  41.740   9.261   0.419
  145    HA   ASP 267           HA       ASP 267  39.833  10.488  -1.111
  146   1HB   ASP 267          1HB       ASP 267  41.372   9.733  -3.100
  147   2HB   ASP 267          2HB       ASP 267  41.994  10.839  -1.875
  148    H    ALA 268           H        ALA 268  40.209   7.121  -0.581
  149    HA   ALA 268           HA       ALA 268  38.668   6.359  -2.942
  150   1HB   ALA 268          1HB       ALA 268  40.215   4.925  -0.837
  151   2HB   ALA 268          2HB       ALA 268  40.208   4.693  -2.586
  152   3HB   ALA 268          3HB       ALA 268  38.886   4.057  -1.607
  153    H    VAL 269           H        VAL 269  38.340   6.391   0.591
  154    HA   VAL 269           HA       VAL 269  35.796   5.198   0.746
  155    HB   VAL 269           HB       VAL 269  37.335   7.064   2.530
  156   1HG1  VAL 269          1HG1      VAL 269  35.403   6.489   4.191
  157   2HG1  VAL 269          2HG1      VAL 269  34.451   6.223   2.730
  158   3HG1  VAL 269          3HG1      VAL 269  35.166   7.805   3.041
  159   1HG2  VAL 269          1HG2      VAL 269  36.216   4.381   3.267
  160   2HG2  VAL 269          2HG2      VAL 269  37.711   5.153   3.799
  161   3HG2  VAL 269          3HG2      VAL 269  37.609   4.446   2.187
  162    H    THR 270           H        THR 270  36.807   8.465   0.001
  163    HA   THR 270           HA       THR 270  34.241   9.685   0.333
  164    HB   THR 270           HB       THR 270  36.812  10.490  -0.995
  165    HG1  THR 270           HG1      THR 270  36.277  12.277   0.568
  166   1HG2  THR 270          1HG2      THR 270  35.539  12.737  -1.328
  167   2HG2  THR 270          2HG2      THR 270  34.089  11.733  -1.287
  168   3HG2  THR 270          3HG2      THR 270  35.317  11.458  -2.522
  169    H    VAL 271           H        VAL 271  36.104   8.790  -2.583
  170    HA   VAL 271           HA       VAL 271  34.247   9.388  -4.524
  171    HB   VAL 271           HB       VAL 271  36.102   6.997  -4.429
  172   1HG1  VAL 271          1HG1      VAL 271  34.259   8.091  -6.489
  173   2HG1  VAL 271          2HG1      VAL 271  34.834   6.441  -6.257
  174   3HG1  VAL 271          3HG1      VAL 271  35.869   7.633  -7.044
  175   1HG2  VAL 271          1HG2      VAL 271  36.725   9.689  -4.389
  176   2HG2  VAL 271          2HG2      VAL 271  36.752   9.319  -6.113
  177   3HG2  VAL 271          3HG2      VAL 271  37.781   8.416  -5.001
  178    H    VAL 272           H        VAL 272  34.016   7.038  -2.058
  179    HA   VAL 272           HA       VAL 272  31.993   5.455  -3.456
  180    HB   VAL 272           HB       VAL 272  33.164   5.213  -0.675
  181   1HG1  VAL 272          1HG1      VAL 272  31.239   4.045  -0.320
  182   2HG1  VAL 272          2HG1      VAL 272  32.037   2.799  -1.280
  183   3HG1  VAL 272          3HG1      VAL 272  30.894   3.903  -2.044
  184   1HG2  VAL 272          1HG2      VAL 272  34.497   3.464  -1.557
  185   2HG2  VAL 272          2HG2      VAL 272  34.590   4.728  -2.782
  186   3HG2  VAL 272          3HG2      VAL 272  33.522   3.346  -3.021
  187    H    LEU 273           H        LEU 273  32.240   8.065  -1.207
  188    HA   LEU 273           HA       LEU 273  29.585   7.752  -0.111
  189   1HB   LEU 273          1HB       LEU 273  31.454   8.830   1.148
  190   2HB   LEU 273          2HB       LEU 273  31.431  10.151  -0.017
  191    HG   LEU 273           HG       LEU 273  29.049  10.596   0.568
  192   1HD1  LEU 273          1HD1      LEU 273  28.506   9.477   2.935
  193   2HD1  LEU 273          2HD1      LEU 273  29.529   8.197   2.287
  194   3HD1  LEU 273          3HD1      LEU 273  28.073   8.685   1.421
  195   1HD2  LEU 273          1HD2      LEU 273  30.215  12.077   1.837
  196   2HD2  LEU 273          2HD2      LEU 273  31.350  10.848   2.394
  197   3HD2  LEU 273          3HD2      LEU 273  29.781  11.022   3.181
  198    H    TYR 274           H        TYR 274  31.154  10.016  -2.371
  199    HA   TYR 274           HA       TYR 274  28.821  11.481  -3.004
  200   1HB   TYR 274          1HB       TYR 274  30.292  12.709  -4.165
  201   2HB   TYR 274          2HB       TYR 274  31.541  11.545  -3.722
  202    HD1  TYR 274           HD1      TYR 274  29.368  12.766  -6.376
  203    HD2  TYR 274           HD2      TYR 274  32.011   9.587  -5.211
  204    HE1  TYR 274           HE1      TYR 274  29.528  12.033  -8.739
  205    HE2  TYR 274           HE2      TYR 274  32.171   8.854  -7.576
  206    HH   TYR 274           HH       TYR 274  30.941  10.773 -10.180
  207    H    LYS 275           H        LYS 275  30.301   8.612  -4.454
  208    HA   LYS 275           HA       LYS 275  28.604   8.429  -6.706
  209   1HB   LYS 275          1HB       LYS 275  30.702   7.170  -6.536
  210   2HB   LYS 275          2HB       LYS 275  30.040   6.231  -5.198
  211   1HG   LYS 275          1HG       LYS 275  28.874   4.882  -6.591
  212   2HG   LYS 275          2HG       LYS 275  28.274   6.248  -7.532
  213   1HD   LYS 275          1HD       LYS 275  31.111   5.229  -7.786
  214   2HD   LYS 275          2HD       LYS 275  29.791   4.615  -8.782
  215   1HE   LYS 275          1HE       LYS 275  29.850   7.539  -8.688
  216   2HE   LYS 275          2HE       LYS 275  31.336   6.855  -9.345
  217   1HZ   LYS 275          1HZ       LYS 275  29.215   7.269 -10.832
  218   2HZ   LYS 275          2HZ       LYS 275  28.808   5.720 -10.267
  219   3HZ   LYS 275          3HZ       LYS 275  30.261   5.964 -11.113
  220    H    LYS 276           H        LYS 276  28.179   7.577  -3.360
  221    HA   LYS 276           HA       LYS 276  25.955   5.808  -3.758
  222   1HB   LYS 276          1HB       LYS 276  27.555   6.709  -1.562
  223   2HB   LYS 276          2HB       LYS 276  25.855   6.968  -1.165
  224   1HG   LYS 276          1HG       LYS 276  26.518   4.712  -0.486
  225   2HG   LYS 276          2HG       LYS 276  25.374   4.613  -1.825
  226   1HD   LYS 276          1HD       LYS 276  26.883   3.518  -3.082
  227   2HD   LYS 276          2HD       LYS 276  28.045   4.828  -2.876
  228   1HE   LYS 276          1HE       LYS 276  28.905   2.650  -2.019
  229   2HE   LYS 276          2HE       LYS 276  28.800   3.877  -0.758
  230   1HZ   LYS 276          1HZ       LYS 276  26.338   2.584  -0.878
  231   2HZ   LYS 276          2HZ       LYS 276  27.487   2.526   0.372
  232   3HZ   LYS 276          3HZ       LYS 276  27.527   1.374  -0.877
  233   1HN   NH2 277          1HN       NH2 277  26.230   9.185  -4.065
  234   2HN   NH2 277          2HN       NH2 277  24.581   9.574  -3.856
  Start of MODEL   61
    1   1H    HIS 250          1H        HIS 250  56.345   0.585  -7.393
    2   2H    HIS 250          2H        HIS 250  56.147   0.519  -9.079
    3   3H    HIS 250          3H        HIS 250  54.827   0.216  -8.053
    4    HA   HIS 250           HA       HIS 250  54.571   2.419  -7.470
    5   1HB   HIS 250          1HB       HIS 250  56.834   2.900  -6.799
    6   2HB   HIS 250          2HB       HIS 250  57.419   2.728  -8.454
    7    HD2  HIS 250           HD2      HIS 250  54.168   4.834  -7.883
    8    HE1  HIS 250           HE1      HIS 250  57.299   7.515  -8.798
    9    HE2  HIS 250           HE2      HIS 250  54.793   7.307  -8.442
   10    H    ILE 251           H        ILE 251  53.114   3.255  -8.819
   11    HA   ILE 251           HA       ILE 251  53.557   3.026 -11.715
   12    HB   ILE 251           HB       ILE 251  51.026   3.759 -10.225
   13   1HG1  ILE 251          1HG1      ILE 251  50.778   1.214 -11.366
   14   2HG1  ILE 251          2HG1      ILE 251  52.378   1.212 -10.624
   15   1HG2  ILE 251          1HG2      ILE 251  51.682   3.087 -13.098
   16   2HG2  ILE 251          2HG2      ILE 251  50.836   4.502 -12.474
   17   3HG2  ILE 251          3HG2      ILE 251  50.048   2.926 -12.456
   18   1HD1  ILE 251          1HD1      ILE 251  50.787   0.491  -8.950
   19   2HD1  ILE 251          2HD1      ILE 251  49.746   1.876  -9.277
   20   3HD1  ILE 251          3HD1      ILE 251  51.321   2.116  -8.523
   21    H    ASN 252           H        ASN 252  52.805   4.860 -13.074
   22    HA   ASN 252           HA       ASN 252  53.962   7.329 -12.087
   23   1HB   ASN 252          1HB       ASN 252  52.846   7.801 -14.609
   24   2HB   ASN 252          2HB       ASN 252  54.533   7.439 -14.247
   25   1HD2  ASN 252          1HD2      ASN 252  55.199   5.122 -14.365
   26   2HD2  ASN 252          2HD2      ASN 252  54.304   4.040 -15.319
   27    H    GLU 253           H        GLU 253  51.051   6.045 -11.549
   28    HA   GLU 253           HA       GLU 253  49.417   8.367 -12.182
   29   1HB   GLU 253          1HB       GLU 253  47.586   7.048 -11.187
   30   2HB   GLU 253          2HB       GLU 253  48.440   6.135 -12.427
   31   1HG   GLU 253          1HG       GLU 253  48.925   4.527 -10.939
   32   2HG   GLU 253          2HG       GLU 253  49.752   5.699  -9.916
   33    H    LEU 254           H        LEU 254  51.697   7.933 -10.002
   34    HA   LEU 254           HA       LEU 254  50.770   8.278  -7.456
   35   1HB   LEU 254          1HB       LEU 254  52.821   9.430  -6.946
   36   2HB   LEU 254          2HB       LEU 254  53.174   8.191  -8.150
   37    HG   LEU 254           HG       LEU 254  52.505  10.364  -9.712
   38   1HD1  LEU 254          1HD1      LEU 254  54.305  11.405  -7.519
   39   2HD1  LEU 254          2HD1      LEU 254  52.566  11.693  -7.516
   40   3HD1  LEU 254          3HD1      LEU 254  53.560  12.311  -8.835
   41   1HD2  LEU 254          1HD2      LEU 254  55.233   9.511  -8.692
   42   2HD2  LEU 254          2HD2      LEU 254  54.954  10.496 -10.128
   43   3HD2  LEU 254          3HD2      LEU 254  54.385   8.828 -10.080
   44    H    LEU 255           H        LEU 255  50.112  10.321 -10.081
   45    HA   LEU 255           HA       LEU 255  49.636  12.662  -8.394
   46   1HB   LEU 255          1HB       LEU 255  48.978  13.743 -10.563
   47   2HB   LEU 255          2HB       LEU 255  50.636  13.152 -10.520
   48    HG   LEU 255           HG       LEU 255  48.675  11.163 -11.464
   49   1HD1  LEU 255          1HD1      LEU 255  49.299  13.617 -13.140
   50   2HD1  LEU 255          2HD1      LEU 255  47.721  13.235 -12.452
   51   3HD1  LEU 255          3HD1      LEU 255  48.421  12.189 -13.686
   52   1HD2  LEU 255          1HD2      LEU 255  51.283  12.246 -12.579
   53   2HD2  LEU 255          2HD2      LEU 255  50.440  10.807 -13.151
   54   3HD2  LEU 255          3HD2      LEU 255  51.123  10.839 -11.527
   55    H    HIS 256           H        HIS 256  47.899  10.065  -9.952
   56    HA   HIS 256           HA       HIS 256  45.312  11.219  -9.929
   57   1HB   HIS 256          1HB       HIS 256  46.202   8.331  -9.819
   58   2HB   HIS 256          2HB       HIS 256  44.528   8.843 -10.039
   59    HD2  HIS 256           HD2      HIS 256  46.418  11.360 -11.987
   60    HE1  HIS 256           HE1      HIS 256  45.939   8.164 -14.704
   61    HE2  HIS 256           HE2      HIS 256  46.570  10.615 -14.488
   62    H    ILE 257           H        ILE 257  45.618   8.302  -8.073
   63    HA   ILE 257           HA       ILE 257  44.533   9.726  -5.734
   64    HB   ILE 257           HB       ILE 257  43.453   7.672  -5.109
   65   1HG1  ILE 257          1HG1      ILE 257  43.821   5.856  -7.148
   66   2HG1  ILE 257          2HG1      ILE 257  45.436   6.536  -6.972
   67   1HG2  ILE 257          1HG2      ILE 257  42.315   9.017  -6.816
   68   2HG2  ILE 257          2HG2      ILE 257  42.030   7.301  -7.107
   69   3HG2  ILE 257          3HG2      ILE 257  43.202   8.178  -8.089
   70   1HD1  ILE 257          1HD1      ILE 257  43.764   5.117  -4.901
   71   2HD1  ILE 257          2HD1      ILE 257  45.102   6.164  -4.430
   72   3HD1  ILE 257          3HD1      ILE 257  45.403   4.743  -5.430
   73    H    LEU 258           H        LEU 258  47.110   7.606  -6.815
   74    HA   LEU 258           HA       LEU 258  47.968   6.706  -4.277
   75   1HB   LEU 258          1HB       LEU 258  49.056   6.763  -7.010
   76   2HB   LEU 258          2HB       LEU 258  50.277   6.786  -5.738
   77    HG   LEU 258           HG       LEU 258  47.979   4.829  -5.674
   78   1HD1  LEU 258          1HD1      LEU 258  48.858   3.929  -7.566
   79   2HD1  LEU 258          2HD1      LEU 258  50.147   3.365  -6.504
   80   3HD1  LEU 258          3HD1      LEU 258  50.352   4.856  -7.423
   81   1HD2  LEU 258          1HD2      LEU 258  49.069   3.947  -3.883
   82   2HD2  LEU 258          2HD2      LEU 258  49.914   5.493  -3.825
   83   3HD2  LEU 258          3HD2      LEU 258  50.648   4.118  -4.647
   84    H    VAL 259           H        VAL 259  47.662   9.791  -5.183
   85    HA   VAL 259           HA       VAL 259  50.013  11.146  -4.710
   86    HB   VAL 259           HB       VAL 259  47.481  12.146  -3.459
   87   1HG1  VAL 259          1HG1      VAL 259  49.390  13.538  -5.338
   88   2HG1  VAL 259          2HG1      VAL 259  49.740  13.394  -3.616
   89   3HG1  VAL 259          3HG1      VAL 259  48.298  14.256  -4.154
   90   1HG2  VAL 259          1HG2      VAL 259  47.932  11.404  -6.315
   91   2HG2  VAL 259          2HG2      VAL 259  47.125  12.939  -5.999
   92   3HG2  VAL 259          3HG2      VAL 259  46.433  11.436  -5.387
   93    H    PHE 260           H        PHE 260  47.691   9.957  -2.285
   94    HA   PHE 260           HA       PHE 260  49.309  10.876  -0.080
   95   1HB   PHE 260          1HB       PHE 260  47.486   8.948   0.856
   96   2HB   PHE 260          2HB       PHE 260  47.315  10.701   0.922
   97    HD1  PHE 260           HD1      PHE 260  46.440  11.870  -1.242
   98    HD2  PHE 260           HD2      PHE 260  45.980   7.678  -0.421
   99    HE1  PHE 260           HE1      PHE 260  44.575  11.755  -2.872
  100    HE2  PHE 260           HE2      PHE 260  44.114   7.564  -2.049
  101    HZ   PHE 260           HZ       PHE 260  43.412   9.602  -3.275
  102    H    GLY 261           H        GLY 261  48.098   7.578  -0.613
  103   1HA   GLY 261          1HA       GLY 261  49.604   5.710  -1.043
  104   2HA   GLY 261          2HA       GLY 261  50.826   6.552  -0.098
  105    H    GLU 262           H        GLU 262  49.583   7.288   2.163
  106    HA   GLU 262           HA       GLU 262  49.040   4.713   3.442
  107   1HB   GLU 262          1HB       GLU 262  49.295   5.979   5.548
  108   2HB   GLU 262          2HB       GLU 262  50.688   6.195   4.487
  109   1HG   GLU 262          1HG       GLU 262  49.668   8.319   3.656
  110   2HG   GLU 262          2HG       GLU 262  48.374   8.121   4.836
  111    H    SER 263           H        SER 263  47.440   7.683   2.572
  112    HA   SER 263           HA       SER 263  45.079   7.071   4.172
  113   1HB   SER 263          1HB       SER 263  44.586   9.260   3.954
  114   2HB   SER 263          2HB       SER 263  46.215   9.431   3.307
  115    HG   SER 263           HG       SER 263  43.981   9.923   2.070
  116    H    LEU 264           H        LEU 264  46.207   5.691   1.553
  117    HA   LEU 264           HA       LEU 264  44.507   5.870  -0.563
  118   1HB   LEU 264          1HB       LEU 264  45.787   3.471   0.710
  119   2HB   LEU 264          2HB       LEU 264  44.826   3.318  -0.758
  120    HG   LEU 264           HG       LEU 264  47.120   5.277  -0.468
  121   1HD1  LEU 264          1HD1      LEU 264  47.814   2.841  -0.250
  122   2HD1  LEU 264          2HD1      LEU 264  48.535   3.699  -1.610
  123   3HD1  LEU 264          3HD1      LEU 264  47.187   2.595  -1.880
  124   1HD2  LEU 264          1HD2      LEU 264  46.303   6.047  -2.421
  125   2HD2  LEU 264          2HD2      LEU 264  45.118   4.747  -2.514
  126   3HD2  LEU 264          3HD2      LEU 264  46.746   4.503  -3.143
  127    H    LEU 265           H        LEU 265  43.637   5.003   2.608
  128    HA   LEU 265           HA       LEU 265  41.228   3.586   1.776
  129   1HB   LEU 265          1HB       LEU 265  42.626   2.939   3.807
  130   2HB   LEU 265          2HB       LEU 265  41.993   4.391   4.585
  131    HG   LEU 265           HG       LEU 265  39.670   3.401   3.752
  132   1HD1  LEU 265          1HD1      LEU 265  41.163   1.450   2.738
  133   2HD1  LEU 265          2HD1      LEU 265  39.587   1.103   3.449
  134   3HD1  LEU 265          3HD1      LEU 265  41.057   0.822   4.382
  135   1HD2  LEU 265          1HD2      LEU 265  41.218   2.373   6.154
  136   2HD2  LEU 265          2HD2      LEU 265  39.465   2.293   5.967
  137   3HD2  LEU 265          3HD2      LEU 265  40.268   3.858   6.093
  138    H    ASN 266           H        ASN 266  41.795   6.278   4.056
  139    HA   ASN 266           HA       ASN 266  39.214   7.275   4.095
  140   1HB   ASN 266          1HB       ASN 266  40.112   8.887   5.384
  141   2HB   ASN 266          2HB       ASN 266  41.643   8.043   5.168
  142   1HD2  ASN 266          1HD2      ASN 266  42.740   8.684   2.906
  143   2HD2  ASN 266          2HD2      ASN 266  42.733  10.347   2.563
  144    H    ASP 267           H        ASP 267  41.521   7.362   1.555
  145    HA   ASP 267           HA       ASP 267  40.167   9.544   0.150
  146   1HB   ASP 267          1HB       ASP 267  42.767   8.161  -0.068
  147   2HB   ASP 267          2HB       ASP 267  42.029   8.630  -1.599
  148    H    ALA 268           H        ALA 268  39.737   6.276   0.527
  149    HA   ALA 268           HA       ALA 268  39.017   5.685  -2.231
  150   1HB   ALA 268          1HB       ALA 268  38.106   3.728  -0.306
  151   2HB   ALA 268          2HB       ALA 268  39.793   4.149  -0.017
  152   3HB   ALA 268          3HB       ALA 268  39.293   3.553  -1.598
  153    H    VAL 269           H        VAL 269  37.324   5.778   0.911
  154    HA   VAL 269           HA       VAL 269  34.738   5.338   0.075
  155    HB   VAL 269           HB       VAL 269  35.632   5.741   2.451
  156   1HG1  VAL 269          1HG1      VAL 269  35.674   7.947   3.289
  157   2HG1  VAL 269          2HG1      VAL 269  34.774   8.581   1.912
  158   3HG1  VAL 269          3HG1      VAL 269  36.456   8.090   1.714
  159   1HG2  VAL 269          1HG2      VAL 269  33.007   6.862   1.441
  160   2HG2  VAL 269          2HG2      VAL 269  33.373   6.696   3.158
  161   3HG2  VAL 269          3HG2      VAL 269  33.304   5.266   2.128
  162    H    THR 270           H        THR 270  36.719   8.148  -0.444
  163    HA   THR 270           HA       THR 270  34.412   9.670  -1.457
  164    HB   THR 270           HB       THR 270  35.658  11.078  -0.073
  165    HG1  THR 270           HG1      THR 270  37.024  12.303  -1.675
  166   1HG2  THR 270          1HG2      THR 270  37.939   9.452  -1.071
  167   2HG2  THR 270          2HG2      THR 270  37.591  10.020   0.562
  168   3HG2  THR 270          3HG2      THR 270  38.289  11.121  -0.625
  169    H    VAL 271           H        VAL 271  36.548   7.466  -2.608
  170    HA   VAL 271           HA       VAL 271  36.432   8.612  -5.328
  171    HB   VAL 271           HB       VAL 271  38.815   7.219  -4.082
  172   1HG1  VAL 271          1HG1      VAL 271  39.899   7.836  -6.267
  173   2HG1  VAL 271          2HG1      VAL 271  38.309   8.300  -6.869
  174   3HG1  VAL 271          3HG1      VAL 271  38.630   6.623  -6.427
  175   1HG2  VAL 271          1HG2      VAL 271  38.493  10.065  -5.084
  176   2HG2  VAL 271          2HG2      VAL 271  39.920   9.377  -4.309
  177   3HG2  VAL 271          3HG2      VAL 271  38.436   9.600  -3.384
  178    H    VAL 272           H        VAL 272  37.858   5.614  -4.081
  179    HA   VAL 272           HA       VAL 272  37.055   3.912  -6.056
  180    HB   VAL 272           HB       VAL 272  38.441   3.515  -3.850
  181   1HG1  VAL 272          1HG1      VAL 272  35.877   2.120  -3.091
  182   2HG1  VAL 272          2HG1      VAL 272  36.219   3.754  -2.522
  183   3HG1  VAL 272          3HG1      VAL 272  37.300   2.428  -2.096
  184   1HG2  VAL 272          1HG2      VAL 272  38.019   1.018  -4.184
  185   2HG2  VAL 272          2HG2      VAL 272  38.463   1.918  -5.634
  186   3HG2  VAL 272          3HG2      VAL 272  36.779   1.479  -5.351
  187    H    LEU 273           H        LEU 273  34.991   5.532  -3.895
  188    HA   LEU 273           HA       LEU 273  32.878   3.620  -3.771
  189   1HB   LEU 273          1HB       LEU 273  33.438   6.053  -2.560
  190   2HB   LEU 273          2HB       LEU 273  32.042   6.412  -3.563
  191    HG   LEU 273           HG       LEU 273  31.264   5.679  -1.388
  192   1HD1  LEU 273          1HD1      LEU 273  30.763   3.178  -2.890
  193   2HD1  LEU 273          2HD1      LEU 273  30.401   4.669  -3.762
  194   3HD1  LEU 273          3HD1      LEU 273  29.620   4.340  -2.215
  195   1HD2  LEU 273          1HD2      LEU 273  33.515   3.949  -1.538
  196   2HD2  LEU 273          2HD2      LEU 273  32.087   2.922  -1.423
  197   3HD2  LEU 273          3HD2      LEU 273  32.395   4.145  -0.190
  198    H    TYR 274           H        TYR 274  32.642   6.814  -5.356
  199    HA   TYR 274           HA       TYR 274  30.909   5.585  -7.377
  200   1HB   TYR 274          1HB       TYR 274  30.850   8.206  -7.999
  201   2HB   TYR 274          2HB       TYR 274  29.800   7.485  -6.781
  202    HD1  TYR 274           HD1      TYR 274  30.192   7.832  -4.404
  203    HD2  TYR 274           HD2      TYR 274  32.838   9.492  -7.351
  204    HE1  TYR 274           HE1      TYR 274  31.221   9.274  -2.669
  205    HE2  TYR 274           HE2      TYR 274  33.871  10.931  -5.617
  206    HH   TYR 274           HH       TYR 274  32.754  10.810  -2.228
  207    H    LYS 275           H        LYS 275  33.658   7.874  -7.299
  208    HA   LYS 275           HA       LYS 275  34.250   8.110  -9.947
  209   1HB   LYS 275          1HB       LYS 275  36.207   7.673  -7.679
  210   2HB   LYS 275          2HB       LYS 275  36.659   8.243  -9.284
  211   1HG   LYS 275          1HG       LYS 275  34.643   9.985  -8.690
  212   2HG   LYS 275          2HG       LYS 275  35.298   9.687  -7.081
  213   1HD   LYS 275          1HD       LYS 275  36.599  11.482  -7.853
  214   2HD   LYS 275          2HD       LYS 275  37.613  10.087  -8.220
  215   1HE   LYS 275          1HE       LYS 275  36.128  10.187 -10.483
  216   2HE   LYS 275          2HE       LYS 275  36.152  11.899 -10.059
  217   1HZ   LYS 275          1HZ       LYS 275  38.040  11.064 -11.485
  218   2HZ   LYS 275          2HZ       LYS 275  38.608  10.245 -10.109
  219   3HZ   LYS 275          3HZ       LYS 275  38.482  11.939 -10.101
  220    H    LYS 276           H        LYS 276  35.557   5.522  -7.861
  221    HA   LYS 276           HA       LYS 276  36.374   3.438  -8.364
  222   1HB   LYS 276          1HB       LYS 276  33.946   3.815  -9.973
  223   2HB   LYS 276          2HB       LYS 276  35.042   2.596 -10.622
  224   1HG   LYS 276          1HG       LYS 276  34.163   2.680  -7.721
  225   2HG   LYS 276          2HG       LYS 276  33.356   1.709  -8.951
  226   1HD   LYS 276          1HD       LYS 276  36.185   1.237  -9.123
  227   2HD   LYS 276          2HD       LYS 276  35.675   1.034  -7.448
  228   1HE   LYS 276          1HE       LYS 276  35.458  -1.083  -8.700
  229   2HE   LYS 276          2HE       LYS 276  33.882  -0.495  -8.169
  230   1HZ   LYS 276          1HZ       LYS 276  34.017   0.690 -10.513
  231   2HZ   LYS 276          2HZ       LYS 276  33.406  -0.885 -10.330
  232   3HZ   LYS 276          3HZ       LYS 276  35.002  -0.647 -10.858
  233   1HN   NH2 277          1HN       NH2 277  37.155   6.021 -10.193
  234   2HN   NH2 277          2HN       NH2 277  38.168   5.280 -11.351
  Start of MODEL   62
    1   1H    HIS 250          1H        HIS 250  56.394  -0.428  19.372
    2   2H    HIS 250          2H        HIS 250  58.076  -0.649  19.291
    3   3H    HIS 250          3H        HIS 250  57.032  -1.978  19.119
    4    HA   HIS 250           HA       HIS 250  57.965  -1.230  16.986
    5   1HB   HIS 250          1HB       HIS 250  55.381  -1.996  17.607
    6   2HB   HIS 250          2HB       HIS 250  55.133  -0.534  16.652
    7    HD2  HIS 250           HD2      HIS 250  57.371  -0.837  14.345
    8    HE1  HIS 250           HE1      HIS 250  55.894  -4.749  13.766
    9    HE2  HIS 250           HE2      HIS 250  57.280  -2.889  12.733
   10    H    ILE 251           H        ILE 251  58.119   0.419  15.425
   11    HA   ILE 251           HA       ILE 251  57.826   3.121  16.529
   12    HB   ILE 251           HB       ILE 251  59.159   3.700  14.401
   13   1HG1  ILE 251          1HG1      ILE 251  58.560   1.193  13.623
   14   2HG1  ILE 251          2HG1      ILE 251  60.021   2.020  13.090
   15   1HG2  ILE 251          1HG2      ILE 251  61.290   2.779  15.498
   16   2HG2  ILE 251          2HG2      ILE 251  60.222   2.052  16.700
   17   3HG2  ILE 251          3HG2      ILE 251  60.262   3.803  16.499
   18   1HD1  ILE 251          1HD1      ILE 251  61.376   0.869  14.672
   19   2HD1  ILE 251          2HD1      ILE 251  60.313  -0.364  13.999
   20   3HD1  ILE 251          3HD1      ILE 251  59.976   0.315  15.590
   21    H    ASN 252           H        ASN 252  55.383   2.226  16.024
   22    HA   ASN 252           HA       ASN 252  54.351   2.400  13.436
   23   1HB   ASN 252          1HB       ASN 252  53.300   2.483  16.161
   24   2HB   ASN 252          2HB       ASN 252  52.353   3.454  15.034
   25   1HD2  ASN 252          1HD2      ASN 252  54.126   0.345  14.561
   26   2HD2  ASN 252          2HD2      ASN 252  52.772  -0.503  13.989
   27    H    GLU 253           H        GLU 253  55.333   4.900  15.662
   28    HA   GLU 253           HA       GLU 253  54.047   7.156  14.907
   29   1HB   GLU 253          1HB       GLU 253  56.150   8.394  15.295
   30   2HB   GLU 253          2HB       GLU 253  55.880   7.161  16.528
   31   1HG   GLU 253          1HG       GLU 253  57.325   5.608  15.131
   32   2HG   GLU 253          2HG       GLU 253  57.748   7.011  14.152
   33    H    LEU 254           H        LEU 254  56.057   5.203  12.887
   34    HA   LEU 254           HA       LEU 254  56.948   6.934  10.934
   35   1HB   LEU 254          1HB       LEU 254  56.290   4.089  11.087
   36   2HB   LEU 254          2HB       LEU 254  56.073   4.759   9.470
   37    HG   LEU 254           HG       LEU 254  58.345   5.658   9.496
   38   1HD1  LEU 254          1HD1      LEU 254  59.178   6.181  11.533
   39   2HD1  LEU 254          2HD1      LEU 254  59.590   4.471  11.680
   40   3HD1  LEU 254          3HD1      LEU 254  58.074   5.075  12.350
   41   1HD2  LEU 254          1HD2      LEU 254  59.588   3.410   9.835
   42   2HD2  LEU 254          2HD2      LEU 254  58.299   3.454   8.632
   43   3HD2  LEU 254          3HD2      LEU 254  58.001   2.746  10.219
   44    H    LEU 255           H        LEU 255  53.750   6.394  11.869
   45    HA   LEU 255           HA       LEU 255  52.118   6.478   9.720
   46   1HB   LEU 255          1HB       LEU 255  51.992   8.136  12.239
   47   2HB   LEU 255          2HB       LEU 255  50.693   8.123  11.046
   48    HG   LEU 255           HG       LEU 255  51.743   5.491  12.002
   49   1HD1  LEU 255          1HD1      LEU 255  50.228   7.486  13.644
   50   2HD1  LEU 255          2HD1      LEU 255  51.448   6.316  14.149
   51   3HD1  LEU 255          3HD1      LEU 255  49.807   5.780  13.792
   52   1HD2  LEU 255          1HD2      LEU 255  49.650   4.725  11.334
   53   2HD2  LEU 255          2HD2      LEU 255  49.861   6.084  10.229
   54   3HD2  LEU 255          3HD2      LEU 255  48.865   6.267  11.673
   55    H    HIS 256           H        HIS 256  53.774   9.337  11.067
   56    HA   HIS 256           HA       HIS 256  52.913  11.346   9.461
   57   1HB   HIS 256          1HB       HIS 256  55.706  10.725  10.415
   58   2HB   HIS 256          2HB       HIS 256  55.330  12.202   9.527
   59    HD2  HIS 256           HD2      HIS 256  52.797  10.810  12.203
   60    HE1  HIS 256           HE1      HIS 256  54.455  14.397  13.688
   61    HE2  HIS 256           HE2      HIS 256  52.702  12.606  14.096
   62    H    ILE 257           H        ILE 257  55.315   8.889   8.586
   63    HA   ILE 257           HA       ILE 257  55.381   9.906   5.834
   64    HB   ILE 257           HB       ILE 257  57.060   7.922   7.363
   65   1HG1  ILE 257          1HG1      ILE 257  58.252  10.066   5.720
   66   2HG1  ILE 257          2HG1      ILE 257  57.249  10.644   7.051
   67   1HG2  ILE 257          1HG2      ILE 257  57.019   6.810   5.327
   68   2HG2  ILE 257          2HG2      ILE 257  58.322   7.961   5.028
   69   3HG2  ILE 257          3HG2      ILE 257  56.702   8.284   4.410
   70   1HD1  ILE 257          1HD1      ILE 257  59.367   8.521   7.436
   71   2HD1  ILE 257          2HD1      ILE 257  58.551   9.479   8.673
   72   3HD1  ILE 257          3HD1      ILE 257  59.720  10.242   7.594
   73    H    LEU 258           H        LEU 258  54.438   7.081   7.723
   74    HA   LEU 258           HA       LEU 258  53.780   5.446   5.475
   75   1HB   LEU 258          1HB       LEU 258  53.621   5.282   8.402
   76   2HB   LEU 258          2HB       LEU 258  52.320   4.434   7.568
   77    HG   LEU 258           HG       LEU 258  54.370   3.033   7.992
   78   1HD1  LEU 258          1HD1      LEU 258  52.832   3.312   5.595
   79   2HD1  LEU 258          2HD1      LEU 258  53.590   1.858   6.242
   80   3HD1  LEU 258          3HD1      LEU 258  54.486   2.906   5.143
   81   1HD2  LEU 258          1HD2      LEU 258  55.757   5.248   7.199
   82   2HD2  LEU 258          2HD2      LEU 258  55.792   4.283   5.724
   83   3HD2  LEU 258          3HD2      LEU 258  56.431   3.620   7.227
   84    H    VAL 259           H        VAL 259  52.391   8.241   6.448
   85    HA   VAL 259           HA       VAL 259  49.604   7.494   6.288
   86    HB   VAL 259           HB       VAL 259  50.320   9.432   7.627
   87   1HG1  VAL 259          1HG1      VAL 259  51.388  11.303   6.721
   88   2HG1  VAL 259          2HG1      VAL 259  50.862  10.931   5.079
   89   3HG1  VAL 259          3HG1      VAL 259  52.145   9.984   5.831
   90   1HG2  VAL 259          1HG2      VAL 259  48.621  10.987   6.850
   91   2HG2  VAL 259          2HG2      VAL 259  48.041   9.346   6.573
   92   3HG2  VAL 259          3HG2      VAL 259  48.673  10.296   5.229
   93    H    PHE 260           H        PHE 260  51.845   9.319   4.183
   94    HA   PHE 260           HA       PHE 260  50.256   9.933   2.061
   95   1HB   PHE 260          1HB       PHE 260  53.054   8.783   1.951
   96   2HB   PHE 260          2HB       PHE 260  52.252   9.602   0.610
   97    HD1  PHE 260           HD1      PHE 260  53.625  10.025   4.021
   98    HD2  PHE 260           HD2      PHE 260  51.945  11.999   0.597
   99    HE1  PHE 260           HE1      PHE 260  54.303  12.220   4.955
  100    HE2  PHE 260           HE2      PHE 260  52.626  14.194   1.529
  101    HZ   PHE 260           HZ       PHE 260  53.804  14.305   3.707
  102    H    GLY 261           H        GLY 261  51.179   6.778   3.131
  103   1HA   GLY 261          1HA       GLY 261  50.293   5.479   0.666
  104   2HA   GLY 261          2HA       GLY 261  50.989   4.683   2.074
  105    H    GLU 262           H        GLU 262  49.219   6.017   3.978
  106    HA   GLU 262           HA       GLU 262  46.961   4.219   3.726
  107   1HB   GLU 262          1HB       GLU 262  46.612   4.565   5.972
  108   2HB   GLU 262          2HB       GLU 262  48.322   4.971   5.878
  109   1HG   GLU 262          1HG       GLU 262  47.483   6.792   7.054
  110   2HG   GLU 262          2HG       GLU 262  47.430   7.407   5.407
  111    H    SER 263           H        SER 263  47.639   7.573   3.183
  112    HA   SER 263           HA       SER 263  45.013   8.604   3.332
  113   1HB   SER 263          1HB       SER 263  46.009  10.535   2.724
  114   2HB   SER 263          2HB       SER 263  47.524   9.639   2.801
  115    HG   SER 263           HG       SER 263  45.830   9.915   0.533
  116    H    LEU 264           H        LEU 264  46.562   6.542   1.073
  117    HA   LEU 264           HA       LEU 264  45.108   7.146  -1.259
  118   1HB   LEU 264          1HB       LEU 264  46.259   5.449  -2.173
  119   2HB   LEU 264          2HB       LEU 264  47.155   5.490  -0.669
  120    HG   LEU 264           HG       LEU 264  46.608   3.234  -1.064
  121   1HD1  LEU 264          1HD1      LEU 264  44.406   3.394   0.778
  122   2HD1  LEU 264          2HD1      LEU 264  45.662   4.551   1.223
  123   3HD1  LEU 264          3HD1      LEU 264  46.053   2.843   1.055
  124   1HD2  LEU 264          1HD2      LEU 264  43.697   3.319  -1.055
  125   2HD2  LEU 264          2HD2      LEU 264  44.793   2.483  -2.150
  126   3HD2  LEU 264          3HD2      LEU 264  44.382   4.168  -2.441
  127    H    LEU 265           H        LEU 265  44.156   5.789   1.691
  128    HA   LEU 265           HA       LEU 265  41.811   4.436   0.587
  129   1HB   LEU 265          1HB       LEU 265  43.344   4.217   2.987
  130   2HB   LEU 265          2HB       LEU 265  41.692   4.649   3.428
  131    HG   LEU 265           HG       LEU 265  42.431   2.390   1.546
  132   1HD1  LEU 265          1HD1      LEU 265  41.258   1.260   3.753
  133   2HD1  LEU 265          2HD1      LEU 265  42.199   2.561   4.482
  134   3HD1  LEU 265          3HD1      LEU 265  43.000   1.346   3.485
  135   1HD2  LEU 265          1HD2      LEU 265  39.834   2.196   2.752
  136   2HD2  LEU 265          2HD2      LEU 265  40.235   2.359   1.042
  137   3HD2  LEU 265          3HD2      LEU 265  39.999   3.798   2.033
  138    H    ASN 266           H        ASN 266  42.663   7.240   2.571
  139    HA   ASN 266           HA       ASN 266  40.096   8.148   3.207
  140   1HB   ASN 266          1HB       ASN 266  42.795   9.333   3.028
  141   2HB   ASN 266          2HB       ASN 266  41.465  10.477   2.869
  142   1HD2  ASN 266          1HD2      ASN 266  43.032   8.204   5.080
  143   2HD2  ASN 266          2HD2      ASN 266  42.177   8.692   6.463
  144    H    ASP 267           H        ASP 267  41.700   7.981   0.197
  145    HA   ASP 267           HA       ASP 267  40.081  10.050  -1.072
  146   1HB   ASP 267          1HB       ASP 267  42.457   8.454  -1.772
  147   2HB   ASP 267          2HB       ASP 267  41.345   8.740  -3.109
  148    H    ALA 268           H        ALA 268  40.107   6.614  -0.611
  149    HA   ALA 268           HA       ALA 268  38.094   6.181  -2.695
  150   1HB   ALA 268          1HB       ALA 268  39.405   4.329  -2.819
  151   2HB   ALA 268          2HB       ALA 268  38.383   3.764  -1.499
  152   3HB   ALA 268          3HB       ALA 268  39.956   4.482  -1.151
  153    H    VAL 269           H        VAL 269  38.466   6.127   0.810
  154    HA   VAL 269           HA       VAL 269  35.884   5.069   1.386
  155    HB   VAL 269           HB       VAL 269  38.013   5.298   2.899
  156   1HG1  VAL 269          1HG1      VAL 269  37.824   7.879   2.599
  157   2HG1  VAL 269          2HG1      VAL 269  38.174   7.246   4.208
  158   3HG1  VAL 269          3HG1      VAL 269  36.539   7.766   3.802
  159   1HG2  VAL 269          1HG2      VAL 269  36.512   5.273   4.908
  160   2HG2  VAL 269          2HG2      VAL 269  35.959   4.202   3.620
  161   3HG2  VAL 269          3HG2      VAL 269  35.176   5.763   3.868
  162    H    THR 270           H        THR 270  36.721   7.940  -0.025
  163    HA   THR 270           HA       THR 270  34.652   9.547   1.283
  164    HB   THR 270           HB       THR 270  36.871  10.540   0.671
  165    HG1  THR 270           HG1      THR 270  34.386  11.454   0.056
  166   1HG2  THR 270          1HG2      THR 270  36.494   9.188  -1.705
  167   2HG2  THR 270          2HG2      THR 270  37.685  10.462  -1.438
  168   3HG2  THR 270          3HG2      THR 270  36.119  10.854  -2.148
  169    H    VAL 271           H        VAL 271  34.833   7.306  -1.175
  170    HA   VAL 271           HA       VAL 271  32.445   8.434  -2.516
  171    HB   VAL 271           HB       VAL 271  34.623   6.751  -3.777
  172   1HG1  VAL 271          1HG1      VAL 271  32.427   6.381  -4.793
  173   2HG1  VAL 271          2HG1      VAL 271  33.425   7.345  -5.880
  174   3HG1  VAL 271          3HG1      VAL 271  32.168   8.121  -4.919
  175   1HG2  VAL 271          1HG2      VAL 271  35.729   8.703  -4.004
  176   2HG2  VAL 271          2HG2      VAL 271  34.386   9.603  -3.299
  177   3HG2  VAL 271          3HG2      VAL 271  34.407   9.262  -5.029
  178    H    VAL 272           H        VAL 272  34.213   5.338  -2.305
  179    HA   VAL 272           HA       VAL 272  32.021   3.673  -2.719
  180    HB   VAL 272           HB       VAL 272  34.332   2.866  -2.785
  181   1HG1  VAL 272          1HG1      VAL 272  35.776   3.317  -1.119
  182   2HG1  VAL 272          2HG1      VAL 272  34.743   2.486   0.045
  183   3HG1  VAL 272          3HG1      VAL 272  34.492   4.199  -0.293
  184   1HG2  VAL 272          1HG2      VAL 272  33.853   0.742  -1.956
  185   2HG2  VAL 272          2HG2      VAL 272  32.234   1.434  -2.048
  186   3HG2  VAL 272          3HG2      VAL 272  33.081   1.372  -0.502
  187    H    LEU 273           H        LEU 273  32.763   5.615  -0.009
  188    HA   LEU 273           HA       LEU 273  31.140   4.009   1.825
  189   1HB   LEU 273          1HB       LEU 273  33.343   5.216   2.448
  190   2HB   LEU 273          2HB       LEU 273  32.360   6.681   2.465
  191    HG   LEU 273           HG       LEU 273  30.751   5.131   3.931
  192   1HD1  LEU 273          1HD1      LEU 273  33.493   4.118   4.706
  193   2HD1  LEU 273          2HD1      LEU 273  32.430   3.218   3.624
  194   3HD1  LEU 273          3HD1      LEU 273  31.923   3.553   5.280
  195   1HD2  LEU 273          1HD2      LEU 273  32.063   6.009   5.960
  196   2HD2  LEU 273          2HD2      LEU 273  31.539   7.213   4.783
  197   3HD2  LEU 273          3HD2      LEU 273  33.214   6.661   4.793
  198    H    TYR 274           H        TYR 274  31.168   7.245   0.353
  199    HA   TYR 274           HA       TYR 274  28.515   7.829   1.407
  200   1HB   TYR 274          1HB       TYR 274  30.618   9.356  -0.071
  201   2HB   TYR 274          2HB       TYR 274  28.951   9.929  -0.135
  202    HD1  TYR 274           HD1      TYR 274  28.005  11.107   1.679
  203    HD2  TYR 274           HD2      TYR 274  31.648   8.902   2.236
  204    HE1  TYR 274           HE1      TYR 274  28.252  12.086   3.944
  205    HE2  TYR 274           HE2      TYR 274  31.895   9.881   4.501
  206    HH   TYR 274           HH       TYR 274  30.867  11.063   6.112
  207    H    LYS 275           H        LYS 275  30.036   7.539  -1.808
  208    HA   LYS 275           HA       LYS 275  27.467   7.591  -3.139
  209   1HB   LYS 275          1HB       LYS 275  30.234   6.991  -4.213
  210   2HB   LYS 275          2HB       LYS 275  28.790   7.270  -5.187
  211   1HG   LYS 275          1HG       LYS 275  28.743   9.484  -3.600
  212   2HG   LYS 275          2HG       LYS 275  30.481   9.215  -3.723
  213   1HD   LYS 275          1HD       LYS 275  30.023  10.567  -5.591
  214   2HD   LYS 275          2HD       LYS 275  30.032   8.939  -6.270
  215   1HE   LYS 275          1HE       LYS 275  28.006   9.551  -7.120
  216   2HE   LYS 275          2HE       LYS 275  27.424   9.147  -5.505
  217   1HZ   LYS 275          1HZ       LYS 275  27.962  11.784  -6.684
  218   2HZ   LYS 275          2HZ       LYS 275  28.117  11.584  -5.004
  219   3HZ   LYS 275          3HZ       LYS 275  26.632  11.267  -5.767
  220    H    LYS 276           H        LYS 276  29.890   5.177  -2.265
  221    HA   LYS 276           HA       LYS 276  29.855   2.875  -2.347
  222   1HB   LYS 276          1HB       LYS 276  26.922   3.502  -1.991
  223   2HB   LYS 276          2HB       LYS 276  27.565   1.859  -1.954
  224   1HG   LYS 276          1HG       LYS 276  28.657   2.180   0.050
  225   2HG   LYS 276          2HG       LYS 276  28.926   3.898  -0.252
  226   1HD   LYS 276          1HD       LYS 276  26.668   4.448   0.303
  227   2HD   LYS 276          2HD       LYS 276  26.177   2.754   0.280
  228   1HE   LYS 276          1HE       LYS 276  28.395   3.252   2.122
  229   2HE   LYS 276          2HE       LYS 276  26.953   4.179   2.533
  230   1HZ   LYS 276          1HZ       LYS 276  26.013   1.700   1.873
  231   2HZ   LYS 276          2HZ       LYS 276  26.194   2.319   3.444
  232   3HZ   LYS 276          3HZ       LYS 276  27.425   1.373   2.755
  233   1HN   NH2 277          1HN       NH2 277  29.262   4.548  -4.960
  234   2HN   NH2 277          2HN       NH2 277  28.729   3.342  -6.044
  Start of MODEL   63
    1   1H    HIS 250          1H        HIS 250  57.102   2.335   6.366
    2   2H    HIS 250          2H        HIS 250  57.569   0.716   6.148
    3   3H    HIS 250          3H        HIS 250  56.219   1.332   5.321
    4    HA   HIS 250           HA       HIS 250  57.466   2.506   3.822
    5   1HB   HIS 250          1HB       HIS 250  58.797   3.468   5.882
    6   2HB   HIS 250          2HB       HIS 250  59.982   2.239   5.438
    7    HD2  HIS 250           HD2      HIS 250  57.984   4.896   3.210
    8    HE1  HIS 250           HE1      HIS 250  62.043   4.844   2.048
    9    HE2  HIS 250           HE2      HIS 250  59.775   5.890   1.591
   10    H    ILE 251           H        ILE 251  57.315   0.839   2.399
   11    HA   ILE 251           HA       ILE 251  59.448  -1.208   2.496
   12    HB   ILE 251           HB       ILE 251  56.911  -1.965   1.180
   13   1HG1  ILE 251          1HG1      ILE 251  56.081  -2.685   3.547
   14   2HG1  ILE 251          2HG1      ILE 251  57.138  -1.406   4.138
   15   1HG2  ILE 251          1HG2      ILE 251  58.497  -3.458   3.265
   16   2HG2  ILE 251          2HG2      ILE 251  59.063  -3.342   1.599
   17   3HG2  ILE 251          3HG2      ILE 251  57.515  -4.110   1.953
   18   1HD1  ILE 251          1HD1      ILE 251  55.349  -0.048   3.790
   19   2HD1  ILE 251          2HD1      ILE 251  54.561  -1.210   2.725
   20   3HD1  ILE 251          3HD1      ILE 251  55.806  -0.136   2.090
   21    H    ASN 252           H        ASN 252  58.682  -2.428   0.054
   22    HA   ASN 252           HA       ASN 252  60.069  -0.822  -1.804
   23   1HB   ASN 252          1HB       ASN 252  58.197  -3.144  -2.322
   24   2HB   ASN 252          2HB       ASN 252  59.370  -2.491  -3.465
   25   1HD2  ASN 252          1HD2      ASN 252  61.129  -2.036  -0.862
   26   2HD2  ASN 252          2HD2      ASN 252  61.850  -3.558  -0.651
   27    H    GLU 253           H        GLU 253  57.105  -0.280  -0.550
   28    HA   GLU 253           HA       GLU 253  55.914   0.756  -3.028
   29   1HB   GLU 253          1HB       GLU 253  54.707   0.535  -0.263
   30   2HB   GLU 253          2HB       GLU 253  53.858   0.957  -1.750
   31   1HG   GLU 253          1HG       GLU 253  54.714  -1.301  -2.661
   32   2HG   GLU 253          2HG       GLU 253  55.087  -1.693  -0.985
   33    H    LEU 254           H        LEU 254  58.099   1.843  -0.965
   34    HA   LEU 254           HA       LEU 254  57.255   4.182   0.205
   35   1HB   LEU 254          1HB       LEU 254  59.576   5.027  -0.118
   36   2HB   LEU 254          2HB       LEU 254  59.511   3.390   0.528
   37    HG   LEU 254           HG       LEU 254  59.545   2.907  -2.170
   38   1HD1  LEU 254          1HD1      LEU 254  61.348   5.284  -1.633
   39   2HD1  LEU 254          2HD1      LEU 254  59.908   5.310  -2.650
   40   3HD1  LEU 254          3HD1      LEU 254  61.304   4.341  -3.123
   41   1HD2  LEU 254          1HD2      LEU 254  62.054   2.529  -1.758
   42   2HD2  LEU 254          2HD2      LEU 254  60.941   1.687  -0.680
   43   3HD2  LEU 254          3HD2      LEU 254  61.762   3.149  -0.133
   44    H    LEU 255           H        LEU 255  56.937   3.506  -3.052
   45    HA   LEU 255           HA       LEU 255  57.245   6.285  -3.916
   46   1HB   LEU 255          1HB       LEU 255  56.150   4.971  -6.059
   47   2HB   LEU 255          2HB       LEU 255  57.875   5.184  -5.786
   48    HG   LEU 255           HG       LEU 255  56.395   2.839  -4.593
   49   1HD1  LEU 255          1HD1      LEU 255  57.652   3.037  -7.346
   50   2HD1  LEU 255          2HD1      LEU 255  55.943   2.781  -6.998
   51   3HD1  LEU 255          3HD1      LEU 255  57.125   1.538  -6.584
   52   1HD2  LEU 255          1HD2      LEU 255  58.939   3.784  -4.245
   53   2HD2  LEU 255          2HD2      LEU 255  59.179   2.666  -5.587
   54   3HD2  LEU 255          3HD2      LEU 255  58.489   2.089  -4.073
   55    H    HIS 256           H        HIS 256  54.756   3.824  -3.464
   56    HA   HIS 256           HA       HIS 256  52.649   5.749  -4.126
   57   1HB   HIS 256          1HB       HIS 256  52.485   2.817  -3.401
   58   2HB   HIS 256          2HB       HIS 256  51.146   3.817  -3.964
   59    HD2  HIS 256           HD2      HIS 256  54.196   1.893  -5.418
   60    HE1  HIS 256           HE1      HIS 256  52.318   3.885  -8.633
   61    HE2  HIS 256           HE2      HIS 256  54.088   2.172  -8.014
   62    H    ILE 257           H        ILE 257  52.999   3.305  -1.559
   63    HA   ILE 257           HA       ILE 257  51.221   4.188   0.265
   64    HB   ILE 257           HB       ILE 257  53.908   2.922   0.550
   65   1HG1  ILE 257          1HG1      ILE 257  51.132   2.130   1.491
   66   2HG1  ILE 257          2HG1      ILE 257  51.798   1.694  -0.080
   67   1HG2  ILE 257          1HG2      ILE 257  53.321   2.745   3.069
   68   2HG2  ILE 257          2HG2      ILE 257  52.260   4.122   2.788
   69   3HG2  ILE 257          3HG2      ILE 257  53.996   4.272   2.508
   70   1HD1  ILE 257          1HD1      ILE 257  52.763  -0.099   0.877
   71   2HD1  ILE 257          2HD1      ILE 257  52.220   0.421   2.471
   72   3HD1  ILE 257          3HD1      ILE 257  53.763   0.992   1.837
   73    H    LEU 258           H        LEU 258  54.635   5.247   0.369
   74    HA   LEU 258           HA       LEU 258  54.610   7.106   2.316
   75   1HB   LEU 258          1HB       LEU 258  56.383   6.501   0.403
   76   2HB   LEU 258          2HB       LEU 258  55.834   8.058  -0.218
   77    HG   LEU 258           HG       LEU 258  56.902   7.531   2.573
   78   1HD1  LEU 258          1HD1      LEU 258  58.823   8.809   1.882
   79   2HD1  LEU 258          2HD1      LEU 258  58.063   9.223   0.345
   80   3HD1  LEU 258          3HD1      LEU 258  58.564   7.561   0.662
   81   1HD2  LEU 258          1HD2      LEU 258  55.358   9.277   2.857
   82   2HD2  LEU 258          2HD2      LEU 258  55.646   9.923   1.241
   83   3HD2  LEU 258          3HD2      LEU 258  56.850  10.150   2.509
   84    H    VAL 259           H        VAL 259  53.448   7.702  -0.998
   85    HA   VAL 259           HA       VAL 259  52.749  10.407  -0.640
   86    HB   VAL 259           HB       VAL 259  51.368   8.405  -2.442
   87   1HG1  VAL 259          1HG1      VAL 259  50.192  10.523  -2.298
   88   2HG1  VAL 259          2HG1      VAL 259  51.041  10.465  -3.842
   89   3HG1  VAL 259          3HG1      VAL 259  51.696  11.419  -2.511
   90   1HG2  VAL 259          1HG2      VAL 259  53.782  10.147  -3.037
   91   2HG2  VAL 259          2HG2      VAL 259  53.043   8.957  -4.108
   92   3HG2  VAL 259          3HG2      VAL 259  53.885   8.429  -2.652
   93    H    PHE 260           H        PHE 260  50.352   7.830  -1.058
   94    HA   PHE 260           HA       PHE 260  48.481   9.287   0.629
   95   1HB   PHE 260          1HB       PHE 260  47.800   6.604  -0.438
   96   2HB   PHE 260          2HB       PHE 260  46.842   8.083  -0.414
   97    HD1  PHE 260           HD1      PHE 260  47.246   9.871  -2.098
   98    HD2  PHE 260           HD2      PHE 260  49.267   6.085  -2.274
   99    HE1  PHE 260           HE1      PHE 260  47.891  10.324  -4.450
  100    HE2  PHE 260           HE2      PHE 260  49.912   6.538  -4.625
  101    HZ   PHE 260           HZ       PHE 260  49.224   8.658  -5.713
  102    H    GLY 261           H        GLY 261  49.441   5.849   0.471
  103   1HA   GLY 261          1HA       GLY 261  49.791   4.288   2.123
  104   2HA   GLY 261          2HA       GLY 261  50.255   5.633   3.161
  105    H    GLU 262           H        GLU 262  48.382   6.950   4.027
  106    HA   GLU 262           HA       GLU 262  46.383   5.095   5.087
  107   1HB   GLU 262          1HB       GLU 262  46.015   6.680   6.803
  108   2HB   GLU 262          2HB       GLU 262  47.756   6.721   6.521
  109   1HG   GLU 262          1HG       GLU 262  47.182   8.612   4.811
  110   2HG   GLU 262          2HG       GLU 262  45.665   8.723   5.704
  111    H    SER 263           H        SER 263  46.661   7.830   2.945
  112    HA   SER 263           HA       SER 263  43.862   8.459   2.894
  113   1HB   SER 263          1HB       SER 263  46.298   9.354   1.481
  114   2HB   SER 263          2HB       SER 263  44.798   9.485   0.567
  115    HG   SER 263           HG       SER 263  45.669  10.872   2.774
  116    H    LEU 264           H        LEU 264  46.047   6.528   0.880
  117    HA   LEU 264           HA       LEU 264  44.577   5.941  -1.322
  118   1HB   LEU 264          1HB       LEU 264  46.662   4.638   0.144
  119   2HB   LEU 264          2HB       LEU 264  45.492   3.425  -0.373
  120    HG   LEU 264           HG       LEU 264  46.709   5.515  -2.202
  121   1HD1  LEU 264          1HD1      LEU 264  47.326   2.555  -1.948
  122   2HD1  LEU 264          2HD1      LEU 264  48.376   3.858  -1.392
  123   3HD1  LEU 264          3HD1      LEU 264  48.041   3.670  -3.113
  124   1HD2  LEU 264          1HD2      LEU 264  44.428   3.813  -2.428
  125   2HD2  LEU 264          2HD2      LEU 264  45.670   3.186  -3.512
  126   3HD2  LEU 264          3HD2      LEU 264  45.128   4.858  -3.665
  127    H    LEU 265           H        LEU 265  43.798   5.098   1.950
  128    HA   LEU 265           HA       LEU 265  41.702   3.227   1.123
  129   1HB   LEU 265          1HB       LEU 265  42.528   4.141   3.889
  130   2HB   LEU 265          2HB       LEU 265  41.398   2.839   3.520
  131    HG   LEU 265           HG       LEU 265  43.856   2.454   2.054
  132   1HD1  LEU 265          1HD1      LEU 265  44.104   2.674   5.070
  133   2HD1  LEU 265          2HD1      LEU 265  44.871   3.746   3.898
  134   3HD1  LEU 265          3HD1      LEU 265  45.344   2.050   3.982
  135   1HD2  LEU 265          1HD2      LEU 265  42.095   0.760   2.664
  136   2HD2  LEU 265          2HD2      LEU 265  42.641   0.868   4.338
  137   3HD2  LEU 265          3HD2      LEU 265  43.732   0.262   3.092
  138    H    ASN 266           H        ASN 266  42.111   6.450   2.465
  139    HA   ASN 266           HA       ASN 266  39.251   6.820   2.835
  140   1HB   ASN 266          1HB       ASN 266  41.551   8.767   3.109
  141   2HB   ASN 266          2HB       ASN 266  39.882   9.079   3.583
  142   1HD2  ASN 266          1HD2      ASN 266  42.609   6.829   4.253
  143   2HD2  ASN 266          2HD2      ASN 266  42.147   6.514   5.856
  144    H    ASP 267           H        ASP 267  41.812   7.947   0.666
  145    HA   ASP 267           HA       ASP 267  40.627   9.894  -0.806
  146   1HB   ASP 267          1HB       ASP 267  42.694   7.951  -1.261
  147   2HB   ASP 267          2HB       ASP 267  41.741   8.149  -2.731
  148    H    ALA 268           H        ALA 268  39.702   6.549  -0.671
  149    HA   ALA 268           HA       ALA 268  37.918   6.787  -2.974
  150   1HB   ALA 268          1HB       ALA 268  39.008   4.585  -1.333
  151   2HB   ALA 268          2HB       ALA 268  38.645   4.635  -3.058
  152   3HB   ALA 268          3HB       ALA 268  37.351   4.360  -1.892
  153    H    VAL 269           H        VAL 269  37.728   6.245   0.534
  154    HA   VAL 269           HA       VAL 269  34.953   6.025   0.776
  155    HB   VAL 269           HB       VAL 269  36.944   7.232   2.710
  156   1HG1  VAL 269          1HG1      VAL 269  34.744   7.911   3.384
  157   2HG1  VAL 269          2HG1      VAL 269  35.166   6.524   4.390
  158   3HG1  VAL 269          3HG1      VAL 269  34.073   6.321   3.021
  159   1HG2  VAL 269          1HG2      VAL 269  37.283   4.830   1.907
  160   2HG2  VAL 269          2HG2      VAL 269  35.742   4.453   2.677
  161   3HG2  VAL 269          3HG2      VAL 269  37.094   5.032   3.649
  162    H    THR 270           H        THR 270  37.015   8.864   0.505
  163    HA   THR 270           HA       THR 270  34.873  10.724   1.056
  164    HB   THR 270           HB       THR 270  37.075  11.440   1.648
  165    HG1  THR 270           HG1      THR 270  36.941  13.357   0.738
  166   1HG2  THR 270          1HG2      THR 270  37.760  10.107  -0.833
  167   2HG2  THR 270          2HG2      THR 270  38.807  10.562   0.512
  168   3HG2  THR 270          3HG2      THR 270  38.467  11.722  -0.772
  169    H    VAL 271           H        VAL 271  35.511   8.770  -1.513
  170    HA   VAL 271           HA       VAL 271  34.182  10.627  -3.393
  171    HB   VAL 271           HB       VAL 271  36.397   8.666  -4.033
  172   1HG1  VAL 271          1HG1      VAL 271  34.495  10.280  -5.703
  173   2HG1  VAL 271          2HG1      VAL 271  35.079   8.635  -5.954
  174   3HG1  VAL 271          3HG1      VAL 271  36.135  10.007  -6.292
  175   1HG2  VAL 271          1HG2      VAL 271  37.753  10.587  -4.457
  176   2HG2  VAL 271          2HG2      VAL 271  36.976  10.895  -2.905
  177   3HG2  VAL 271          3HG2      VAL 271  36.367  11.674  -4.366
  178    H    VAL 272           H        VAL 272  33.984   7.796  -1.693
  179    HA   VAL 272           HA       VAL 272  32.596   6.248  -3.737
  180    HB   VAL 272           HB       VAL 272  33.277   5.736  -0.842
  181   1HG1  VAL 272          1HG1      VAL 272  32.352   3.370  -1.552
  182   2HG1  VAL 272          2HG1      VAL 272  31.399   4.311  -2.699
  183   3HG1  VAL 272          3HG1      VAL 272  31.241   4.609  -0.968
  184   1HG2  VAL 272          1HG2      VAL 272  34.019   3.819  -2.941
  185   2HG2  VAL 272          2HG2      VAL 272  35.017   4.543  -1.680
  186   3HG2  VAL 272          3HG2      VAL 272  34.720   5.420  -3.181
  187    H    LEU 273           H        LEU 273  31.795   7.506  -0.489
  188    HA   LEU 273           HA       LEU 273  28.956   7.184  -0.991
  189   1HB   LEU 273          1HB       LEU 273  28.684   8.058   1.282
  190   2HB   LEU 273          2HB       LEU 273  29.899   6.779   1.254
  191    HG   LEU 273           HG       LEU 273  31.365   9.083   0.726
  192   1HD1  LEU 273          1HD1      LEU 273  30.722  10.638   2.530
  193   2HD1  LEU 273          2HD1      LEU 273  29.331   9.623   2.913
  194   3HD1  LEU 273          3HD1      LEU 273  29.414  10.457   1.361
  195   1HD2  LEU 273          1HD2      LEU 273  30.851   7.688   3.374
  196   2HD2  LEU 273          2HD2      LEU 273  32.236   8.721   3.016
  197   3HD2  LEU 273          3HD2      LEU 273  32.032   7.192   2.161
  198    H    TYR 274           H        TYR 274  31.325   9.589  -1.480
  199    HA   TYR 274           HA       TYR 274  29.555  11.866  -1.293
  200   1HB   TYR 274          1HB       TYR 274  32.402  11.399  -2.038
  201   2HB   TYR 274          2HB       TYR 274  31.623  12.856  -2.653
  202    HD1  TYR 274           HD1      TYR 274  30.897  14.629  -1.161
  203    HD2  TYR 274           HD2      TYR 274  32.645  11.023   0.385
  204    HE1  TYR 274           HE1      TYR 274  31.157  15.707   1.058
  205    HE2  TYR 274           HE2      TYR 274  32.905  12.100   2.603
  206    HH   TYR 274           HH       TYR 274  33.081  14.933   3.261
  207    H    LYS 275           H        LYS 275  31.194  10.158  -3.963
  208    HA   LYS 275           HA       LYS 275  30.194  11.553  -6.118
  209   1HB   LYS 275          1HB       LYS 275  31.836   9.751  -6.346
  210   2HB   LYS 275          2HB       LYS 275  30.612   8.561  -5.903
  211   1HG   LYS 275          1HG       LYS 275  29.597   8.645  -7.948
  212   2HG   LYS 275          2HG       LYS 275  29.872  10.378  -8.124
  213   1HD   LYS 275          1HD       LYS 275  32.177   8.444  -8.262
  214   2HD   LYS 275          2HD       LYS 275  31.181   8.756  -9.684
  215   1HE   LYS 275          1HE       LYS 275  31.978  10.881  -9.942
  216   2HE   LYS 275          2HE       LYS 275  32.081  11.162  -8.205
  217   1HZ   LYS 275          1HZ       LYS 275  34.022   9.623  -8.200
  218   2HZ   LYS 275          2HZ       LYS 275  34.278  11.073  -9.049
  219   3HZ   LYS 275          3HZ       LYS 275  33.977   9.632  -9.896
  220    H    LYS 276           H        LYS 276  28.427   9.818  -3.816
  221    HA   LYS 276           HA       LYS 276  26.213   9.090  -5.534
  222   1HB   LYS 276          1HB       LYS 276  26.180   9.240  -2.520
  223   2HB   LYS 276          2HB       LYS 276  25.181   8.237  -3.573
  224   1HG   LYS 276          1HG       LYS 276  28.182   7.983  -3.204
  225   2HG   LYS 276          2HG       LYS 276  26.963   6.881  -2.563
  226   1HD   LYS 276          1HD       LYS 276  26.209   6.765  -5.103
  227   2HD   LYS 276          2HD       LYS 276  27.879   7.257  -5.389
  228   1HE   LYS 276          1HE       LYS 276  27.933   4.880  -5.381
  229   2HE   LYS 276          2HE       LYS 276  28.544   5.356  -3.798
  230   1HZ   LYS 276          1HZ       LYS 276  26.643   3.574  -4.073
  231   2HZ   LYS 276          2HZ       LYS 276  25.662   4.961  -4.077
  232   3HZ   LYS 276          3HZ       LYS 276  26.679   4.639  -2.754
  233   1HN   NH2 277          1HN       NH2 277  27.122  12.047  -5.136
  234   2HN   NH2 277          2HN       NH2 277  25.663  12.844  -4.747
  Start of MODEL   64
    1   1H    HIS 250          1H        HIS 250  61.837  -1.670   6.549
    2   2H    HIS 250          2H        HIS 250  62.819  -1.676   5.162
    3   3H    HIS 250          3H        HIS 250  61.284  -0.949   5.118
    4    HA   HIS 250           HA       HIS 250  63.793   0.129   5.974
    5   1HB   HIS 250          1HB       HIS 250  61.371   0.897   4.627
    6   2HB   HIS 250          2HB       HIS 250  61.686   2.037   5.936
    7    HD2  HIS 250           HD2      HIS 250  64.128   0.394   3.225
    8    HE1  HIS 250           HE1      HIS 250  64.967   4.518   3.568
    9    HE2  HIS 250           HE2      HIS 250  65.628   2.364   2.395
   10    H    ILE 251           H        ILE 251  63.173   2.261   7.481
   11    HA   ILE 251           HA       ILE 251  62.238   1.071  10.022
   12    HB   ILE 251           HB       ILE 251  64.004   3.502   9.729
   13   1HG1  ILE 251          1HG1      ILE 251  65.639   1.453  10.568
   14   2HG1  ILE 251          2HG1      ILE 251  64.620   0.640   9.379
   15   1HG2  ILE 251          1HG2      ILE 251  62.902   3.223  11.894
   16   2HG2  ILE 251          2HG2      ILE 251  64.620   2.858  12.057
   17   3HG2  ILE 251          3HG2      ILE 251  63.444   1.547  11.980
   18   1HD1  ILE 251          1HD1      ILE 251  66.254   3.155   8.939
   19   2HD1  ILE 251          2HD1      ILE 251  65.132   2.480   7.758
   20   3HD1  ILE 251          3HD1      ILE 251  66.561   1.565   8.240
   21    H    ASN 252           H        ASN 252  61.901   3.738   7.792
   22    HA   ASN 252           HA       ASN 252  60.127   5.216   9.566
   23   1HB   ASN 252          1HB       ASN 252  61.047   5.694   6.725
   24   2HB   ASN 252          2HB       ASN 252  59.940   6.759   7.591
   25   1HD2  ASN 252          1HD2      ASN 252  62.904   5.051   8.732
   26   2HD2  ASN 252          2HD2      ASN 252  63.689   6.463   9.251
   27    H    GLU 253           H        GLU 253  59.756   2.505   7.821
   28    HA   GLU 253           HA       GLU 253  57.675   2.641   6.104
   29   1HB   GLU 253          1HB       GLU 253  56.856   0.503   7.578
   30   2HB   GLU 253          2HB       GLU 253  58.161   0.445   6.392
   31   1HG   GLU 253          1HG       GLU 253  59.834   0.603   8.041
   32   2HG   GLU 253          2HG       GLU 253  58.714   1.236   9.247
   33    H    LEU 254           H        LEU 254  57.237   2.387   9.644
   34    HA   LEU 254           HA       LEU 254  54.522   2.557   9.854
   35   1HB   LEU 254          1HB       LEU 254  56.178   4.296  11.649
   36   2HB   LEU 254          2HB       LEU 254  54.818   3.247  12.053
   37    HG   LEU 254           HG       LEU 254  56.521   1.381  11.131
   38   1HD1  LEU 254          1HD1      LEU 254  58.779   1.875  11.504
   39   2HD1  LEU 254          2HD1      LEU 254  58.406   3.239  12.558
   40   3HD1  LEU 254          3HD1      LEU 254  58.185   3.386  10.816
   41   1HD2  LEU 254          1HD2      LEU 254  55.445   1.349  13.329
   42   2HD2  LEU 254          2HD2      LEU 254  56.531   2.614  13.904
   43   3HD2  LEU 254          3HD2      LEU 254  57.168   1.016  13.514
   44    H    LEU 255           H        LEU 255  56.633   4.930   8.584
   45    HA   LEU 255           HA       LEU 255  54.618   7.058   8.813
   46   1HB   LEU 255          1HB       LEU 255  57.361   7.327   7.591
   47   2HB   LEU 255          2HB       LEU 255  56.331   8.591   8.263
   48    HG   LEU 255           HG       LEU 255  57.674   6.360   9.817
   49   1HD1  LEU 255          1HD1      LEU 255  58.132   9.194  10.502
   50   2HD1  LEU 255          2HD1      LEU 255  58.763   8.712   8.927
   51   3HD1  LEU 255          3HD1      LEU 255  59.285   7.864  10.382
   52   1HD2  LEU 255          1HD2      LEU 255  56.759   7.941  11.735
   53   2HD2  LEU 255          2HD2      LEU 255  55.717   6.705  11.029
   54   3HD2  LEU 255          3HD2      LEU 255  55.571   8.384  10.510
   55    H    HIS 256           H        HIS 256  56.886   6.087   6.244
   56    HA   HIS 256           HA       HIS 256  55.235   7.024   4.143
   57   1HB   HIS 256          1HB       HIS 256  57.350   4.897   3.846
   58   2HB   HIS 256          2HB       HIS 256  56.856   6.122   2.677
   59    HD2  HIS 256           HD2      HIS 256  57.033   8.368   5.468
   60    HE1  HIS 256           HE1      HIS 256  61.128   7.835   4.594
   61    HE2  HIS 256           HE2      HIS 256  59.450   9.286   5.830
   62    H    ILE 257           H        ILE 257  56.237   3.633   4.575
   63    HA   ILE 257           HA       ILE 257  54.395   2.385   3.021
   64    HB   ILE 257           HB       ILE 257  55.653   1.586   5.623
   65   1HG1  ILE 257          1HG1      ILE 257  56.676   1.625   3.176
   66   2HG1  ILE 257          2HG1      ILE 257  57.040   0.298   4.278
   67   1HG2  ILE 257          1HG2      ILE 257  53.615   0.427   5.867
   68   2HG2  ILE 257          2HG2      ILE 257  54.661  -0.746   5.070
   69   3HG2  ILE 257          3HG2      ILE 257  53.463   0.147   4.132
   70   1HD1  ILE 257          1HD1      ILE 257  55.525  -1.164   3.210
   71   2HD1  ILE 257          2HD1      ILE 257  56.289  -0.306   1.874
   72   3HD1  ILE 257          3HD1      ILE 257  54.675   0.155   2.408
   73    H    LEU 258           H        LEU 258  53.834   3.884   6.124
   74    HA   LEU 258           HA       LEU 258  51.145   2.786   6.338
   75   1HB   LEU 258          1HB       LEU 258  52.915   3.455   8.234
   76   2HB   LEU 258          2HB       LEU 258  52.038   4.981   8.124
   77    HG   LEU 258           HG       LEU 258  50.804   2.249   8.593
   78   1HD1  LEU 258          1HD1      LEU 258  52.018   3.214  10.541
   79   2HD1  LEU 258          2HD1      LEU 258  50.277   3.132  10.815
   80   3HD1  LEU 258          3HD1      LEU 258  51.034   4.671  10.404
   81   1HD2  LEU 258          1HD2      LEU 258  49.664   4.988   8.084
   82   2HD2  LEU 258          2HD2      LEU 258  48.784   3.844   9.096
   83   3HD2  LEU 258          3HD2      LEU 258  49.154   3.434   7.422
   84    H    VAL 259           H        VAL 259  52.668   5.964   5.833
   85    HA   VAL 259           HA       VAL 259  50.330   7.500   5.723
   86    HB   VAL 259           HB       VAL 259  53.061   7.825   4.505
   87   1HG1  VAL 259          1HG1      VAL 259  52.161  10.226   4.030
   88   2HG1  VAL 259          2HG1      VAL 259  50.573   9.458   4.046
   89   3HG1  VAL 259          3HG1      VAL 259  51.788   8.945   2.876
   90   1HG2  VAL 259          1HG2      VAL 259  51.808   9.824   6.305
   91   2HG2  VAL 259          2HG2      VAL 259  53.447   9.175   6.313
   92   3HG2  VAL 259          3HG2      VAL 259  52.128   8.247   7.026
   93    H    PHE 260           H        PHE 260  52.210   6.257   2.936
   94    HA   PHE 260           HA       PHE 260  50.331   6.966   0.979
   95   1HB   PHE 260          1HB       PHE 260  51.809   6.033  -0.440
   96   2HB   PHE 260          2HB       PHE 260  52.819   5.766   0.982
   97    HD1  PHE 260           HD1      PHE 260  52.531   3.595   2.289
   98    HD2  PHE 260           HD2      PHE 260  50.873   4.204  -1.627
   99    HE1  PHE 260           HE1      PHE 260  52.296   1.143   2.007
  100    HE2  PHE 260           HE2      PHE 260  50.638   1.752  -1.909
  101    HZ   PHE 260           HZ       PHE 260  51.348   0.220  -0.091
  102    H    GLY 261           H        GLY 261  49.916   4.869   3.492
  103   1HA   GLY 261          1HA       GLY 261  47.947   3.225   2.012
  104   2HA   GLY 261          2HA       GLY 261  48.805   2.676   3.448
  105    H    GLU 262           H        GLU 262  48.340   5.706   4.281
  106    HA   GLU 262           HA       GLU 262  45.906   5.092   5.765
  107   1HB   GLU 262          1HB       GLU 262  46.560   6.686   7.285
  108   2HB   GLU 262          2HB       GLU 262  48.134   6.261   6.618
  109   1HG   GLU 262          1HG       GLU 262  47.730   8.153   4.918
  110   2HG   GLU 262          2HG       GLU 262  46.426   8.671   5.984
  111    H    SER 263           H        SER 263  47.011   7.206   3.199
  112    HA   SER 263           HA       SER 263  44.425   8.591   3.131
  113   1HB   SER 263          1HB       SER 263  45.544  10.311   2.206
  114   2HB   SER 263          2HB       SER 263  47.015   9.446   2.641
  115    HG   SER 263           HG       SER 263  47.342   9.270   0.581
  116    H    LEU 264           H        LEU 264  46.505   6.540   1.126
  117    HA   LEU 264           HA       LEU 264  45.207   6.437  -1.256
  118   1HB   LEU 264          1HB       LEU 264  46.687   4.445   0.362
  119   2HB   LEU 264          2HB       LEU 264  45.680   3.784  -0.923
  120    HG   LEU 264           HG       LEU 264  48.044   4.306  -1.631
  121   1HD1  LEU 264          1HD1      LEU 264  45.596   4.889  -2.959
  122   2HD1  LEU 264          2HD1      LEU 264  47.153   4.496  -3.685
  123   3HD1  LEU 264          3HD1      LEU 264  46.728   6.177  -3.368
  124   1HD2  LEU 264          1HD2      LEU 264  47.802   6.554  -0.167
  125   2HD2  LEU 264          2HD2      LEU 264  47.357   7.202  -1.745
  126   3HD2  LEU 264          3HD2      LEU 264  48.923   6.424  -1.520
  127    H    LEU 265           H        LEU 265  44.106   5.101   1.791
  128    HA   LEU 265           HA       LEU 265  41.832   3.769   0.562
  129   1HB   LEU 265          1HB       LEU 265  42.863   2.677   2.464
  130   2HB   LEU 265          2HB       LEU 265  42.680   4.126   3.449
  131    HG   LEU 265           HG       LEU 265  40.255   3.918   3.398
  132   1HD1  LEU 265          1HD1      LEU 265  39.384   1.701   2.310
  133   2HD1  LEU 265          2HD1      LEU 265  40.874   1.782   1.369
  134   3HD1  LEU 265          3HD1      LEU 265  39.698   3.092   1.273
  135   1HD2  LEU 265          1HD2      LEU 265  40.970   1.079   3.889
  136   2HD2  LEU 265          2HD2      LEU 265  40.162   2.237   4.947
  137   3HD2  LEU 265          3HD2      LEU 265  41.917   2.277   4.772
  138    H    ASN 266           H        ASN 266  42.487   6.593   2.595
  139    HA   ASN 266           HA       ASN 266  39.764   7.359   2.925
  140   1HB   ASN 266          1HB       ASN 266  40.637   8.931   4.271
  141   2HB   ASN 266          2HB       ASN 266  42.203   8.188   3.953
  142   1HD2  ASN 266          1HD2      ASN 266  43.131   8.995   1.648
  143   2HD2  ASN 266          2HD2      ASN 266  43.033  10.673   1.410
  144    H    ASP 267           H        ASP 267  41.600   7.223   0.188
  145    HA   ASP 267           HA       ASP 267  40.764   9.693  -1.057
  146   1HB   ASP 267          1HB       ASP 267  42.635   7.608  -1.616
  147   2HB   ASP 267          2HB       ASP 267  41.557   7.773  -3.001
  148    H    ALA 268           H        ALA 268  39.757   6.310  -1.078
  149    HA   ALA 268           HA       ALA 268  37.629   6.878  -3.007
  150   1HB   ALA 268          1HB       ALA 268  39.055   4.752  -3.036
  151   2HB   ALA 268          2HB       ALA 268  37.308   4.532  -3.132
  152   3HB   ALA 268          3HB       ALA 268  38.149   4.257  -1.606
  153    H    VAL 269           H        VAL 269  37.864   5.327   0.193
  154    HA   VAL 269           HA       VAL 269  35.254   5.145   0.922
  155    HB   VAL 269           HB       VAL 269  37.734   5.812   2.464
  156   1HG1  VAL 269          1HG1      VAL 269  34.889   5.934   3.465
  157   2HG1  VAL 269          2HG1      VAL 269  36.204   7.071   3.755
  158   3HG1  VAL 269          3HG1      VAL 269  36.214   5.493   4.540
  159   1HG2  VAL 269          1HG2      VAL 269  35.718   3.545   2.595
  160   2HG2  VAL 269          2HG2      VAL 269  37.246   3.625   3.472
  161   3HG2  VAL 269          3HG2      VAL 269  37.244   3.495   1.712
  162    H    THR 270           H        THR 270  37.105   8.062   0.517
  163    HA   THR 270           HA       THR 270  35.167   9.744   1.853
  164    HB   THR 270           HB       THR 270  37.638  10.312   0.221
  165    HG1  THR 270           HG1      THR 270  37.737   9.594   2.451
  166   1HG2  THR 270          1HG2      THR 270  35.428  12.109   1.117
  167   2HG2  THR 270          2HG2      THR 270  36.429  12.201  -0.332
  168   3HG2  THR 270          3HG2      THR 270  37.082  12.710   1.225
  169    H    VAL 271           H        VAL 271  36.468  10.212  -1.406
  170    HA   VAL 271           HA       VAL 271  34.375  11.582  -2.508
  171    HB   VAL 271           HB       VAL 271  36.117   9.515  -3.871
  172   1HG1  VAL 271          1HG1      VAL 271  35.577  10.980  -5.898
  173   2HG1  VAL 271          2HG1      VAL 271  34.270  11.663  -4.930
  174   3HG1  VAL 271          3HG1      VAL 271  34.271   9.944  -5.323
  175   1HG2  VAL 271          1HG2      VAL 271  37.635  11.268  -4.279
  176   2HG2  VAL 271          2HG2      VAL 271  37.116  11.578  -2.623
  177   3HG2  VAL 271          3HG2      VAL 271  36.428  12.512  -3.951
  178    H    VAL 272           H        VAL 272  34.344   8.331  -1.481
  179    HA   VAL 272           HA       VAL 272  32.151   7.528  -3.219
  180    HB   VAL 272           HB       VAL 272  33.539   6.128  -0.923
  181   1HG1  VAL 272          1HG1      VAL 272  32.304   4.116  -1.966
  182   2HG1  VAL 272          2HG1      VAL 272  31.259   5.315  -2.728
  183   3HG1  VAL 272          3HG1      VAL 272  31.351   5.217  -0.970
  184   1HG2  VAL 272          1HG2      VAL 272  34.525   6.606  -3.392
  185   2HG2  VAL 272          2HG2      VAL 272  33.591   5.150  -3.735
  186   3HG2  VAL 272          3HG2      VAL 272  34.859   5.115  -2.510
  187    H    LEU 273           H        LEU 273  32.679   8.489   0.141
  188    HA   LEU 273           HA       LEU 273  29.817   8.142   0.715
  189   1HB   LEU 273          1HB       LEU 273  32.287   8.425   2.359
  190   2HB   LEU 273          2HB       LEU 273  30.772   9.016   3.044
  191    HG   LEU 273           HG       LEU 273  30.831   6.305   1.759
  192   1HD1  LEU 273          1HD1      LEU 273  31.226   5.623   4.324
  193   2HD1  LEU 273          2HD1      LEU 273  32.159   7.121   4.303
  194   3HD1  LEU 273          3HD1      LEU 273  32.565   5.812   3.193
  195   1HD2  LEU 273          1HD2      LEU 273  28.822   7.732   2.806
  196   2HD2  LEU 273          2HD2      LEU 273  29.415   6.998   4.296
  197   3HD2  LEU 273          3HD2      LEU 273  28.886   5.977   2.959
  198    H    TYR 274           H        TYR 274  32.343  10.639   0.875
  199    HA   TYR 274           HA       TYR 274  30.677  12.772   1.644
  200   1HB   TYR 274          1HB       TYR 274  33.324  12.615   0.217
  201   2HB   TYR 274          2HB       TYR 274  32.531  14.164   0.506
  202    HD1  TYR 274           HD1      TYR 274  33.273  10.993   2.389
  203    HD2  TYR 274           HD2      TYR 274  33.112  15.287   2.465
  204    HE1  TYR 274           HE1      TYR 274  34.112  10.985   4.721
  205    HE2  TYR 274           HE2      TYR 274  33.951  15.276   4.797
  206    HH   TYR 274           HH       TYR 274  35.200  12.420   6.288
  207    H    LYS 275           H        LYS 275  32.245  12.749  -1.526
  208    HA   LYS 275           HA       LYS 275  30.472  14.384  -2.841
  209   1HB   LYS 275          1HB       LYS 275  32.342  12.234  -3.720
  210   2HB   LYS 275          2HB       LYS 275  31.187  12.849  -4.902
  211   1HG   LYS 275          1HG       LYS 275  32.801  14.765  -3.230
  212   2HG   LYS 275          2HG       LYS 275  33.509  14.035  -4.671
  213   1HD   LYS 275          1HD       LYS 275  32.193  15.243  -6.088
  214   2HD   LYS 275          2HD       LYS 275  30.785  15.140  -5.032
  215   1HE   LYS 275          1HE       LYS 275  31.642  16.880  -3.598
  216   2HE   LYS 275          2HE       LYS 275  33.187  16.888  -4.449
  217   1HZ   LYS 275          1HZ       LYS 275  30.847  17.292  -6.110
  218   2HZ   LYS 275          2HZ       LYS 275  32.352  18.082  -6.137
  219   3HZ   LYS 275          3HZ       LYS 275  31.169  18.541  -5.008
  220    H    LYS 276           H        LYS 276  30.396  10.813  -2.827
  221    HA   LYS 276           HA       LYS 276  27.646  10.904  -3.862
  222   1HB   LYS 276          1HB       LYS 276  28.957   9.386  -5.108
  223   2HB   LYS 276          2HB       LYS 276  29.720   8.726  -3.661
  224   1HG   LYS 276          1HG       LYS 276  27.859   7.457  -3.090
  225   2HG   LYS 276          2HG       LYS 276  26.741   8.533  -3.928
  226   1HD   LYS 276          1HD       LYS 276  27.060   6.340  -5.097
  227   2HD   LYS 276          2HD       LYS 276  27.506   7.728  -6.090
  228   1HE   LYS 276          1HE       LYS 276  29.799   7.316  -5.871
  229   2HE   LYS 276          2HE       LYS 276  29.586   6.368  -4.398
  230   1HZ   LYS 276          1HZ       LYS 276  29.356   5.558  -7.172
  231   2HZ   LYS 276          2HZ       LYS 276  28.166   4.933  -6.133
  232   3HZ   LYS 276          3HZ       LYS 276  29.812   4.656  -5.812
  233   1HN   NH2 277          1HN       NH2 277  29.409   9.077  -1.286
  234   2HN   NH2 277          2HN       NH2 277  28.067   9.007  -0.231
  Start of MODEL   65
    1   1H    HIS 250          1H        HIS 250  53.608  -7.424  13.027
    2   2H    HIS 250          2H        HIS 250  55.183  -7.331  13.658
    3   3H    HIS 250          3H        HIS 250  54.908  -8.080  12.157
    4    HA   HIS 250           HA       HIS 250  55.579  -6.106  11.347
    5   1HB   HIS 250          1HB       HIS 250  52.846  -6.428  11.350
    6   2HB   HIS 250          2HB       HIS 250  53.025  -4.813  12.034
    7    HD2  HIS 250           HD2      HIS 250  55.771  -4.119  10.093
    8    HE1  HIS 250           HE1      HIS 250  52.934  -4.457   6.985
    9    HE2  HIS 250           HE2      HIS 250  55.242  -3.589   7.591
   10    H    ILE 251           H        ILE 251  56.447  -4.090  11.771
   11    HA   ILE 251           HA       ILE 251  56.107  -3.059  14.526
   12    HB   ILE 251           HB       ILE 251  58.664  -2.720  12.996
   13   1HG1  ILE 251          1HG1      ILE 251  59.273  -4.812  14.577
   14   2HG1  ILE 251          2HG1      ILE 251  57.586  -5.207  14.240
   15   1HG2  ILE 251          1HG2      ILE 251  58.475  -3.213  15.929
   16   2HG2  ILE 251          2HG2      ILE 251  57.829  -1.684  15.334
   17   3HG2  ILE 251          3HG2      ILE 251  59.517  -2.101  15.040
   18   1HD1  ILE 251          1HD1      ILE 251  58.256  -4.668  11.752
   19   2HD1  ILE 251          2HD1      ILE 251  58.666  -6.236  12.447
   20   3HD1  ILE 251          3HD1      ILE 251  59.892  -4.974  12.331
   21    H    ASN 252           H        ASN 252  58.138  -0.970  13.606
   22    HA   ASN 252           HA       ASN 252  56.150   0.913  12.585
   23   1HB   ASN 252          1HB       ASN 252  59.013   1.536  13.265
   24   2HB   ASN 252          2HB       ASN 252  57.620   2.615  13.289
   25   1HD2  ASN 252          1HD2      ASN 252  59.536   0.516  15.226
   26   2HD2  ASN 252          2HD2      ASN 252  58.530   0.497  16.593
   27    H    GLU 253           H        GLU 253  58.720  -0.998  11.435
   28    HA   GLU 253           HA       GLU 253  59.928   0.394   9.426
   29   1HB   GLU 253          1HB       GLU 253  58.897  -2.447   9.272
   30   2HB   GLU 253          2HB       GLU 253  60.110  -1.743   8.202
   31   1HG   GLU 253          1HG       GLU 253  60.771  -1.285  10.998
   32   2HG   GLU 253          2HG       GLU 253  60.592  -3.005  10.653
   33    H    LEU 254           H        LEU 254  56.590  -0.595   9.568
   34    HA   LEU 254           HA       LEU 254  56.117  -0.135   6.746
   35   1HB   LEU 254          1HB       LEU 254  53.644  -0.300   7.611
   36   2HB   LEU 254          2HB       LEU 254  54.648  -1.745   7.523
   37    HG   LEU 254           HG       LEU 254  55.162  -1.594   9.896
   38   1HD1  LEU 254          1HD1      LEU 254  55.292   0.757  10.285
   39   2HD1  LEU 254          2HD1      LEU 254  53.914   0.204  11.234
   40   3HD1  LEU 254          3HD1      LEU 254  53.653   1.018   9.693
   41   1HD2  LEU 254          1HD2      LEU 254  52.688  -2.200   8.838
   42   2HD2  LEU 254          2HD2      LEU 254  52.279  -1.055  10.115
   43   3HD2  LEU 254          3HD2      LEU 254  53.181  -2.521  10.501
   44    H    LEU 255           H        LEU 255  56.798   1.907   9.142
   45    HA   LEU 255           HA       LEU 255  54.966   3.868   9.449
   46   1HB   LEU 255          1HB       LEU 255  57.923   3.916   9.070
   47   2HB   LEU 255          2HB       LEU 255  57.068   5.457   9.032
   48    HG   LEU 255           HG       LEU 255  56.415   3.543  11.242
   49   1HD1  LEU 255          1HD1      LEU 255  58.973   5.119  10.948
   50   2HD1  LEU 255          2HD1      LEU 255  58.773   3.433  11.423
   51   3HD1  LEU 255          3HD1      LEU 255  58.313   4.723  12.534
   52   1HD2  LEU 255          1HD2      LEU 255  56.100   5.652  12.460
   53   2HD2  LEU 255          2HD2      LEU 255  55.213   5.700  10.937
   54   3HD2  LEU 255          3HD2      LEU 255  56.746   6.558  11.091
   55    H    HIS 256           H        HIS 256  57.395   4.376   6.910
   56    HA   HIS 256           HA       HIS 256  56.005   6.255   5.449
   57   1HB   HIS 256          1HB       HIS 256  57.760   4.142   4.194
   58   2HB   HIS 256          2HB       HIS 256  57.487   5.792   3.632
   59    HD2  HIS 256           HD2      HIS 256  59.473   3.939   6.498
   60    HE1  HIS 256           HE1      HIS 256  60.737   7.965   6.381
   61    HE2  HIS 256           HE2      HIS 256  61.169   5.693   7.428
   62    H    ILE 257           H        ILE 257  55.530   2.815   5.574
   63    HA   ILE 257           HA       ILE 257  53.789   2.817   3.226
   64    HB   ILE 257           HB       ILE 257  54.605   0.603   5.120
   65   1HG1  ILE 257          1HG1      ILE 257  55.456   0.254   2.410
   66   2HG1  ILE 257          2HG1      ILE 257  55.925   1.874   2.923
   67   1HG2  ILE 257          1HG2      ILE 257  52.735   0.740   2.784
   68   2HG2  ILE 257          2HG2      ILE 257  52.604  -0.204   4.269
   69   3HG2  ILE 257          3HG2      ILE 257  53.711  -0.714   2.995
   70   1HD1  ILE 257          1HD1      ILE 257  57.043   0.969   4.895
   71   2HD1  ILE 257          2HD1      ILE 257  57.662   0.162   3.455
   72   3HD1  ILE 257          3HD1      ILE 257  56.495  -0.658   4.492
   73    H    LEU 258           H        LEU 258  53.463   3.683   6.384
   74    HA   LEU 258           HA       LEU 258  50.842   2.483   6.827
   75   1HB   LEU 258          1HB       LEU 258  52.876   3.373   8.513
   76   2HB   LEU 258          2HB       LEU 258  51.597   4.573   8.700
   77    HG   LEU 258           HG       LEU 258  51.268   1.569   8.968
   78   1HD1  LEU 258          1HD1      LEU 258  52.138   3.560  10.810
   79   2HD1  LEU 258          2HD1      LEU 258  51.763   1.869  11.141
   80   3HD1  LEU 258          3HD1      LEU 258  50.502   3.094  11.274
   81   1HD2  LEU 258          1HD2      LEU 258  49.023   2.766  10.012
   82   2HD2  LEU 258          2HD2      LEU 258  49.125   2.077   8.391
   83   3HD2  LEU 258          3HD2      LEU 258  49.375   3.807   8.632
   84    H    VAL 259           H        VAL 259  52.026   5.843   7.080
   85    HA   VAL 259           HA       VAL 259  49.533   7.073   6.821
   86    HB   VAL 259           HB       VAL 259  52.306   8.055   6.132
   87   1HG1  VAL 259          1HG1      VAL 259  50.886   9.445   4.841
   88   2HG1  VAL 259          2HG1      VAL 259  51.122  10.340   6.342
   89   3HG1  VAL 259          3HG1      VAL 259  49.625   9.444   6.076
   90   1HG2  VAL 259          1HG2      VAL 259  52.454   8.583   8.328
   91   2HG2  VAL 259          2HG2      VAL 259  51.053   7.539   8.564
   92   3HG2  VAL 259          3HG2      VAL 259  50.831   9.274   8.344
   93    H    PHE 260           H        PHE 260  52.046   6.812   4.290
   94    HA   PHE 260           HA       PHE 260  50.620   7.777   2.146
   95   1HB   PHE 260          1HB       PHE 260  52.683   5.584   2.299
   96   2HB   PHE 260          2HB       PHE 260  52.024   6.147   0.764
   97    HD1  PHE 260           HD1      PHE 260  53.742   7.308   3.869
   98    HD2  PHE 260           HD2      PHE 260  52.814   8.135  -0.242
   99    HE1  PHE 260           HE1      PHE 260  55.296   9.241   3.906
  100    HE2  PHE 260           HE2      PHE 260  54.367  10.067  -0.205
  101    HZ   PHE 260           HZ       PHE 260  55.609  10.621   1.870
  102    H    GLY 261           H        GLY 261  50.369   4.641   3.693
  103   1HA   GLY 261          1HA       GLY 261  48.642   3.540   1.637
  104   2HA   GLY 261          2HA       GLY 261  49.084   2.770   3.158
  105    H    GLU 262           H        GLU 262  48.269   5.583   4.316
  106    HA   GLU 262           HA       GLU 262  45.520   4.771   4.882
  107   1HB   GLU 262          1HB       GLU 262  47.246   6.977   6.031
  108   2HB   GLU 262          2HB       GLU 262  45.609   6.600   6.567
  109   1HG   GLU 262          1HG       GLU 262  47.203   4.190   6.473
  110   2HG   GLU 262          2HG       GLU 262  48.004   5.411   7.462
  111    H    SER 263           H        SER 263  47.156   7.817   3.976
  112    HA   SER 263           HA       SER 263  44.800   9.187   3.250
  113   1HB   SER 263          1HB       SER 263  46.365  10.800   3.313
  114   2HB   SER 263          2HB       SER 263  47.671   9.637   3.107
  115    HG   SER 263           HG       SER 263  47.164  11.295   1.368
  116    H    LEU 264           H        LEU 264  46.020   6.481   1.876
  117    HA   LEU 264           HA       LEU 264  45.701   7.144  -0.917
  118   1HB   LEU 264          1HB       LEU 264  46.861   5.036   0.548
  119   2HB   LEU 264          2HB       LEU 264  45.542   4.315  -0.376
  120    HG   LEU 264           HG       LEU 264  47.712   6.095  -1.524
  121   1HD1  LEU 264          1HD1      LEU 264  48.484   4.021  -2.622
  122   2HD1  LEU 264          2HD1      LEU 264  47.236   3.109  -1.774
  123   3HD1  LEU 264          3HD1      LEU 264  48.545   3.868  -0.866
  124   1HD2  LEU 264          1HD2      LEU 264  46.272   6.352  -3.242
  125   2HD2  LEU 264          2HD2      LEU 264  45.106   5.269  -2.480
  126   3HD2  LEU 264          3HD2      LEU 264  46.373   4.613  -3.518
  127    H    LEU 265           H        LEU 265  43.955   4.913   1.264
  128    HA   LEU 265           HA       LEU 265  41.728   4.668  -0.520
  129   1HB   LEU 265          1HB       LEU 265  40.655   3.564   1.507
  130   2HB   LEU 265          2HB       LEU 265  42.146   2.823   0.926
  131    HG   LEU 265           HG       LEU 265  42.678   4.951   2.845
  132   1HD1  LEU 265          1HD1      LEU 265  41.855   3.569   4.811
  133   2HD1  LEU 265          2HD1      LEU 265  40.899   2.638   3.658
  134   3HD1  LEU 265          3HD1      LEU 265  40.587   4.360   3.874
  135   1HD2  LEU 265          1HD2      LEU 265  43.253   1.972   2.913
  136   2HD2  LEU 265          2HD2      LEU 265  44.098   3.228   3.817
  137   3HD2  LEU 265          3HD2      LEU 265  44.247   3.153   2.061
  138    H    ASN 266           H        ASN 266  42.711   7.150   1.461
  139    HA   ASN 266           HA       ASN 266  40.468   8.065   2.795
  140   1HB   ASN 266          1HB       ASN 266  42.947   9.205   1.811
  141   2HB   ASN 266          2HB       ASN 266  41.623  10.361   1.699
  142   1HD2  ASN 266          1HD2      ASN 266  43.056   8.029   4.052
  143   2HD2  ASN 266          2HD2      ASN 266  42.710   8.977   5.417
  144    H    ASP 267           H        ASP 267  41.395   8.701  -0.586
  145    HA   ASP 267           HA       ASP 267  38.949  10.120  -1.146
  146   1HB   ASP 267          1HB       ASP 267  41.292   9.200  -2.786
  147   2HB   ASP 267          2HB       ASP 267  39.837   9.815  -3.567
  148    H    ALA 268           H        ALA 268  39.809   6.861  -0.920
  149    HA   ALA 268           HA       ALA 268  37.811   5.952  -2.860
  150   1HB   ALA 268          1HB       ALA 268  38.713   3.781  -2.572
  151   2HB   ALA 268          2HB       ALA 268  39.475   4.214  -1.041
  152   3HB   ALA 268          3HB       ALA 268  40.108   4.859  -2.555
  153    H    VAL 269           H        VAL 269  38.402   6.093   0.607
  154    HA   VAL 269           HA       VAL 269  36.052   4.563   1.290
  155    HB   VAL 269           HB       VAL 269  38.274   4.936   2.645
  156   1HG1  VAL 269          1HG1      VAL 269  38.303   6.767   4.125
  157   2HG1  VAL 269          2HG1      VAL 269  36.591   7.111   3.878
  158   3HG1  VAL 269          3HG1      VAL 269  37.757   7.485   2.608
  159   1HG2  VAL 269          1HG2      VAL 269  35.452   4.814   3.716
  160   2HG2  VAL 269          2HG2      VAL 269  36.848   4.706   4.789
  161   3HG2  VAL 269          3HG2      VAL 269  36.609   3.496   3.528
  162    H    THR 270           H        THR 270  36.813   7.876   0.648
  163    HA   THR 270           HA       THR 270  34.618   9.064   2.030
  164    HB   THR 270           HB       THR 270  36.775  10.176   1.107
  165    HG1  THR 270           HG1      THR 270  34.427  11.568   0.458
  166   1HG2  THR 270          1HG2      THR 270  36.752  10.938  -1.119
  167   2HG2  THR 270          2HG2      THR 270  35.026  10.629  -1.302
  168   3HG2  THR 270          3HG2      THR 270  36.164   9.281  -1.248
  169    H    VAL 271           H        VAL 271  34.832   7.178  -0.778
  170    HA   VAL 271           HA       VAL 271  32.998   8.195  -2.549
  171    HB   VAL 271           HB       VAL 271  33.515   5.350  -1.691
  172   1HG1  VAL 271          1HG1      VAL 271  31.550   6.467  -3.675
  173   2HG1  VAL 271          2HG1      VAL 271  31.340   5.140  -2.533
  174   3HG1  VAL 271          3HG1      VAL 271  32.319   4.910  -3.982
  175   1HG2  VAL 271          1HG2      VAL 271  34.105   6.713  -4.324
  176   2HG2  VAL 271          2HG2      VAL 271  34.826   5.242  -3.671
  177   3HG2  VAL 271          3HG2      VAL 271  35.222   6.808  -2.962
  178    H    VAL 272           H        VAL 272  32.436   6.904   0.624
  179    HA   VAL 272           HA       VAL 272  29.536   6.803   0.215
  180    HB   VAL 272           HB       VAL 272  31.199   6.133   2.655
  181   1HG1  VAL 272          1HG1      VAL 272  28.264   5.883   1.983
  182   2HG1  VAL 272          2HG1      VAL 272  29.000   6.637   3.397
  183   3HG1  VAL 272          3HG1      VAL 272  29.022   4.883   3.222
  184   1HG2  VAL 272          1HG2      VAL 272  30.563   3.772   1.960
  185   2HG2  VAL 272          2HG2      VAL 272  31.716   4.576   0.894
  186   3HG2  VAL 272          3HG2      VAL 272  30.019   4.452   0.426
  187    H    LEU 273           H        LEU 273  31.913   8.992   1.249
  188    HA   LEU 273           HA       LEU 273  30.749  10.383   3.342
  189   1HB   LEU 273          1HB       LEU 273  32.998  10.759   2.026
  190   2HB   LEU 273          2HB       LEU 273  32.031  11.911   1.108
  191    HG   LEU 273           HG       LEU 273  32.343  11.896   4.126
  192   1HD1  LEU 273          1HD1      LEU 273  33.321  14.283   3.194
  193   2HD1  LEU 273          2HD1      LEU 273  33.834  13.170   1.925
  194   3HD1  LEU 273          3HD1      LEU 273  34.318  12.886   3.597
  195   1HD2  LEU 273          1HD2      LEU 273  31.291  14.250   3.715
  196   2HD2  LEU 273          2HD2      LEU 273  30.228  12.843   3.705
  197   3HD2  LEU 273          3HD2      LEU 273  30.752  13.563   2.183
  198    H    TYR 274           H        TYR 274  30.497  11.375  -0.085
  199    HA   TYR 274           HA       TYR 274  28.368  13.179   0.362
  200   1HB   TYR 274          1HB       TYR 274  28.167  13.293  -2.035
  201   2HB   TYR 274          2HB       TYR 274  29.881  13.175  -1.641
  202    HD1  TYR 274           HD1      TYR 274  26.918  11.186  -2.740
  203    HD2  TYR 274           HD2      TYR 274  31.198  11.356  -2.405
  204    HE1  TYR 274           HE1      TYR 274  27.109   9.154  -4.144
  205    HE2  TYR 274           HE2      TYR 274  31.387   9.323  -3.813
  206    HH   TYR 274           HH       TYR 274  28.576   7.915  -5.394
  207    H    LYS 275           H        LYS 275  28.440   9.778  -0.591
  208    HA   LYS 275           HA       LYS 275  25.912   9.271  -1.411
  209   1HB   LYS 275          1HB       LYS 275  27.729   7.573  -1.049
  210   2HB   LYS 275          2HB       LYS 275  27.331   7.589   0.667
  211   1HG   LYS 275          1HG       LYS 275  25.399   6.409   0.369
  212   2HG   LYS 275          2HG       LYS 275  25.028   7.193  -1.165
  213   1HD   LYS 275          1HD       LYS 275  27.306   5.229  -0.904
  214   2HD   LYS 275          2HD       LYS 275  25.661   4.697  -1.250
  215   1HE   LYS 275          1HE       LYS 275  25.757   5.428  -3.392
  216   2HE   LYS 275          2HE       LYS 275  26.530   6.944  -2.932
  217   1HZ   LYS 275          1HZ       LYS 275  28.214   4.637  -2.602
  218   2HZ   LYS 275          2HZ       LYS 275  28.546   6.126  -3.350
  219   3HZ   LYS 275          3HZ       LYS 275  27.745   4.900  -4.211
  220    H    LYS 276           H        LYS 276  26.900  10.201   1.803
  221    HA   LYS 276           HA       LYS 276  24.177   9.772   2.833
  222   1HB   LYS 276          1HB       LYS 276  26.000   8.900   4.215
  223   2HB   LYS 276          2HB       LYS 276  26.740  10.500   4.270
  224   1HG   LYS 276          1HG       LYS 276  25.217  11.302   5.777
  225   2HG   LYS 276          2HG       LYS 276  23.889  10.373   5.082
  226   1HD   LYS 276          1HD       LYS 276  26.111   8.976   6.557
  227   2HD   LYS 276          2HD       LYS 276  24.771   9.704   7.444
  228   1HE   LYS 276          1HE       LYS 276  24.015   8.031   5.113
  229   2HE   LYS 276          2HE       LYS 276  24.708   7.168   6.485
  230   1HZ   LYS 276          1HZ       LYS 276  22.206   7.552   6.469
  231   2HZ   LYS 276          2HZ       LYS 276  22.565   9.169   6.848
  232   3HZ   LYS 276          3HZ       LYS 276  23.040   7.921   7.898
  233   1HN   NH2 277          1HN       NH2 277  26.588  12.376   3.466
  234   2HN   NH2 277          2HN       NH2 277  25.474  13.651   3.242
  Start of MODEL   66
    1   1H    HIS 250          1H        HIS 250  41.135  -7.715   7.004
    2   2H    HIS 250          2H        HIS 250  41.419  -6.888   5.548
    3   3H    HIS 250          3H        HIS 250  42.382  -6.572   6.911
    4    HA   HIS 250           HA       HIS 250  42.549  -9.303   6.453
    5   1HB   HIS 250          1HB       HIS 250  42.002  -7.870   4.044
    6   2HB   HIS 250          2HB       HIS 250  43.695  -8.360   4.008
    7    HD2  HIS 250           HD2      HIS 250  43.734 -11.319   5.097
    8    HE1  HIS 250           HE1      HIS 250  40.336 -12.115   2.722
    9    HE2  HIS 250           HE2      HIS 250  42.239 -13.174   4.027
   10    H    ILE 251           H        ILE 251  44.975  -9.592   5.436
   11    HA   ILE 251           HA       ILE 251  46.721  -7.459   6.422
   12    HB   ILE 251           HB       ILE 251  48.066  -9.406   7.573
   13   1HG1  ILE 251          1HG1      ILE 251  46.602 -11.115   8.545
   14   2HG1  ILE 251          2HG1      ILE 251  45.206 -10.424   7.717
   15   1HG2  ILE 251          1HG2      ILE 251  46.861  -8.903   9.685
   16   2HG2  ILE 251          2HG2      ILE 251  45.552  -8.180   8.749
   17   3HG2  ILE 251          3HG2      ILE 251  47.157  -7.447   8.735
   18   1HD1  ILE 251          1HD1      ILE 251  47.643 -11.355   6.196
   19   2HD1  ILE 251          2HD1      ILE 251  46.015 -11.067   5.583
   20   3HD1  ILE 251          3HD1      ILE 251  46.335 -12.462   6.612
   21    H    ASN 252           H        ASN 252  45.934  -9.150   3.913
   22    HA   ASN 252           HA       ASN 252  48.539 -10.230   3.158
   23   1HB   ASN 252          1HB       ASN 252  45.858 -10.135   1.768
   24   2HB   ASN 252          2HB       ASN 252  47.315 -10.776   1.012
   25   1HD2  ASN 252          1HD2      ASN 252  44.863 -11.396   3.461
   26   2HD2  ASN 252          2HD2      ASN 252  45.375 -12.972   3.834
   27    H    GLU 253           H        GLU 253  46.587  -7.402   2.675
   28    HA   GLU 253           HA       GLU 253  47.886  -6.439   0.324
   29   1HB   GLU 253          1HB       GLU 253  46.331  -4.943   2.448
   30   2HB   GLU 253          2HB       GLU 253  46.782  -4.302   0.868
   31   1HG   GLU 253          1HG       GLU 253  45.088  -6.781   1.292
   32   2HG   GLU 253          2HG       GLU 253  44.442  -5.183   0.924
   33    H    LEU 254           H        LEU 254  49.238  -7.063   3.174
   34    HA   LEU 254           HA       LEU 254  50.532  -4.834   4.136
   35   1HB   LEU 254          1HB       LEU 254  52.263  -6.309   4.940
   36   2HB   LEU 254          2HB       LEU 254  50.722  -7.159   5.047
   37    HG   LEU 254           HG       LEU 254  51.577  -7.782   2.491
   38   1HD1  LEU 254          1HD1      LEU 254  53.961  -7.843   4.367
   39   2HD1  LEU 254          2HD1      LEU 254  53.789  -6.772   2.978
   40   3HD1  LEU 254          3HD1      LEU 254  53.914  -8.514   2.738
   41   1HD2  LEU 254          1HD2      LEU 254  50.600  -9.420   3.926
   42   2HD2  LEU 254          2HD2      LEU 254  51.857  -9.210   5.144
   43   3HD2  LEU 254          3HD2      LEU 254  52.238  -9.993   3.611
   44    H    LEU 255           H        LEU 255  50.719  -6.047   0.995
   45    HA   LEU 255           HA       LEU 255  53.369  -4.884   0.497
   46   1HB   LEU 255          1HB       LEU 255  52.877  -7.146  -0.405
   47   2HB   LEU 255          2HB       LEU 255  51.576  -6.451  -1.371
   48    HG   LEU 255           HG       LEU 255  53.945  -4.886  -1.775
   49   1HD1  LEU 255          1HD1      LEU 255  54.279  -7.863  -2.269
   50   2HD1  LEU 255          2HD1      LEU 255  55.158  -6.924  -1.060
   51   3HD1  LEU 255          3HD1      LEU 255  55.402  -6.600  -2.777
   52   1HD2  LEU 255          1HD2      LEU 255  52.091  -5.064  -3.360
   53   2HD2  LEU 255          2HD2      LEU 255  52.383  -6.794  -3.545
   54   3HD2  LEU 255          3HD2      LEU 255  53.572  -5.631  -4.129
   55    H    HIS 256           H        HIS 256  49.962  -4.497  -0.300
   56    HA   HIS 256           HA       HIS 256  50.531  -2.252  -2.083
   57   1HB   HIS 256          1HB       HIS 256  48.032  -3.757  -1.332
   58   2HB   HIS 256          2HB       HIS 256  47.957  -2.227  -2.205
   59    HD2  HIS 256           HD2      HIS 256  49.876  -5.683  -2.782
   60    HE1  HIS 256           HE1      HIS 256  48.811  -4.026  -6.516
   61    HE2  HIS 256           HE2      HIS 256  49.905  -6.013  -5.373
   62    H    ILE 257           H        ILE 257  47.905  -2.507   0.267
   63    HA   ILE 257           HA       ILE 257  47.584   0.100   0.918
   64    HB   ILE 257           HB       ILE 257  47.349  -2.381   2.592
   65   1HG1  ILE 257          1HG1      ILE 257  45.286  -0.321   1.767
   66   2HG1  ILE 257          2HG1      ILE 257  45.712  -1.702   0.755
   67   1HG2  ILE 257          1HG2      ILE 257  47.116   0.491   3.477
   68   2HG2  ILE 257          2HG2      ILE 257  47.892  -0.860   4.306
   69   3HG2  ILE 257          3HG2      ILE 257  46.132  -0.763   4.231
   70   1HD1  ILE 257          1HD1      ILE 257  44.746  -3.230   2.189
   71   2HD1  ILE 257          2HD1      ILE 257  43.717  -1.838   2.527
   72   3HD1  ILE 257          3HD1      ILE 257  45.046  -2.238   3.616
   73    H    LEU 258           H        LEU 258  49.910  -2.087   2.503
   74    HA   LEU 258           HA       LEU 258  50.993  -0.454   4.403
   75   1HB   LEU 258          1HB       LEU 258  51.689  -2.806   3.914
   76   2HB   LEU 258          2HB       LEU 258  52.642  -2.192   2.562
   77    HG   LEU 258           HG       LEU 258  53.307  -0.573   4.780
   78   1HD1  LEU 258          1HD1      LEU 258  52.333  -2.313   6.233
   79   2HD1  LEU 258          2HD1      LEU 258  54.086  -2.254   6.415
   80   3HD1  LEU 258          3HD1      LEU 258  53.342  -3.532   5.453
   81   1HD2  LEU 258          1HD2      LEU 258  54.833  -1.175   2.977
   82   2HD2  LEU 258          2HD2      LEU 258  54.744  -2.878   3.426
   83   3HD2  LEU 258          3HD2      LEU 258  55.521  -1.720   4.506
   84    H    VAL 259           H        VAL 259  51.573  -0.347   0.925
   85    HA   VAL 259           HA       VAL 259  53.748   1.335   0.753
   86    HB   VAL 259           HB       VAL 259  51.256   1.424  -0.969
   87   1HG1  VAL 259          1HG1      VAL 259  54.103   2.362  -1.437
   88   2HG1  VAL 259          2HG1      VAL 259  52.663   3.375  -1.348
   89   3HG1  VAL 259          3HG1      VAL 259  52.870   2.256  -2.694
   90   1HG2  VAL 259          1HG2      VAL 259  53.705   0.040  -1.884
   91   2HG2  VAL 259          2HG2      VAL 259  52.016  -0.438  -2.046
   92   3HG2  VAL 259          3HG2      VAL 259  52.876  -0.739  -0.537
   93    H    PHE 260           H        PHE 260  50.517   2.680   0.177
   94    HA   PHE 260           HA       PHE 260  51.356   5.257   1.183
   95   1HB   PHE 260          1HB       PHE 260  48.622   5.400   0.816
   96   2HB   PHE 260          2HB       PHE 260  49.839   5.782  -0.402
   97    HD1  PHE 260           HD1      PHE 260  47.318   3.381   0.696
   98    HD2  PHE 260           HD2      PHE 260  50.540   4.060  -2.061
   99    HE1  PHE 260           HE1      PHE 260  46.544   1.466  -0.677
  100    HE2  PHE 260           HE2      PHE 260  49.770   2.144  -3.434
  101    HZ   PHE 260           HZ       PHE 260  47.771   0.847  -2.743
  102    H    GLY 261           H        GLY 261  48.615   3.123   2.012
  103   1HA   GLY 261          1HA       GLY 261  48.233   2.393   4.292
  104   2HA   GLY 261          2HA       GLY 261  48.959   3.899   4.844
  105    H    GLU 262           H        GLU 262  47.703   5.692   5.086
  106    HA   GLU 262           HA       GLU 262  44.816   5.304   4.781
  107   1HB   GLU 262          1HB       GLU 262  44.687   7.422   6.123
  108   2HB   GLU 262          2HB       GLU 262  45.516   6.100   6.945
  109   1HG   GLU 262          1HG       GLU 262  47.479   7.219   6.991
  110   2HG   GLU 262          2HG       GLU 262  47.321   7.727   5.311
  111    H    SER 263           H        SER 263  47.436   6.900   3.257
  112    HA   SER 263           HA       SER 263  46.492   9.216   2.202
  113   1HB   SER 263          1HB       SER 263  48.607   7.604   1.626
  114   2HB   SER 263          2HB       SER 263  47.650   7.433   0.157
  115    HG   SER 263           HG       SER 263  48.020   9.461  -0.317
  116    H    LEU 264           H        LEU 264  46.088   6.128   0.453
  117    HA   LEU 264           HA       LEU 264  43.998   7.207  -1.194
  118   1HB   LEU 264          1HB       LEU 264  44.612   4.276  -0.846
  119   2HB   LEU 264          2HB       LEU 264  43.978   5.104  -2.269
  120    HG   LEU 264           HG       LEU 264  46.772   5.312  -1.121
  121   1HD1  LEU 264          1HD1      LEU 264  47.475   4.260  -3.107
  122   2HD1  LEU 264          2HD1      LEU 264  45.970   4.638  -3.948
  123   3HD1  LEU 264          3HD1      LEU 264  45.995   3.393  -2.699
  124   1HD2  LEU 264          1HD2      LEU 264  45.307   6.999  -3.152
  125   2HD2  LEU 264          2HD2      LEU 264  47.063   6.838  -3.197
  126   3HD2  LEU 264          3HD2      LEU 264  46.277   7.531  -1.779
  127    H    LEU 265           H        LEU 265  44.077   4.701   1.348
  128    HA   LEU 265           HA       LEU 265  41.439   3.997   1.485
  129   1HB   LEU 265          1HB       LEU 265  43.680   3.740   3.158
  130   2HB   LEU 265          2HB       LEU 265  42.421   4.453   4.166
  131    HG   LEU 265           HG       LEU 265  40.847   2.671   3.328
  132   1HD1  LEU 265          1HD1      LEU 265  41.479   1.290   1.665
  133   2HD1  LEU 265          2HD1      LEU 265  42.915   0.803   2.567
  134   3HD1  LEU 265          3HD1      LEU 265  42.972   2.220   1.518
  135   1HD2  LEU 265          1HD2      LEU 265  41.478   1.923   5.376
  136   2HD2  LEU 265          2HD2      LEU 265  43.169   2.343   5.098
  137   3HD2  LEU 265          3HD2      LEU 265  42.530   0.811   4.498
  138    H    ASN 266           H        ASN 266  42.787   7.087   2.128
  139    HA   ASN 266           HA       ASN 266  40.477   8.005   3.663
  140   1HB   ASN 266          1HB       ASN 266  43.053   9.311   2.792
  141   2HB   ASN 266          2HB       ASN 266  41.744  10.219   3.546
  142   1HD2  ASN 266          1HD2      ASN 266  41.992   6.935   4.609
  143   2HD2  ASN 266          2HD2      ASN 266  42.755   7.251   6.092
  144    H    ASP 267           H        ASP 267  42.034   8.621   0.528
  145    HA   ASP 267           HA       ASP 267  39.804  10.312  -0.308
  146   1HB   ASP 267          1HB       ASP 267  42.051  11.025  -0.917
  147   2HB   ASP 267          2HB       ASP 267  42.347   9.488  -1.729
  148    H    ALA 268           H        ALA 268  40.304   7.082  -0.112
  149    HA   ALA 268           HA       ALA 268  39.141   6.376  -2.701
  150   1HB   ALA 268          1HB       ALA 268  40.259   4.798  -0.395
  151   2HB   ALA 268          2HB       ALA 268  40.809   4.845  -2.070
  152   3HB   ALA 268          3HB       ALA 268  39.308   4.017  -1.658
  153    H    VAL 269           H        VAL 269  38.404   5.597   0.707
  154    HA   VAL 269           HA       VAL 269  35.852   4.599   0.364
  155    HB   VAL 269           HB       VAL 269  37.010   4.525   2.512
  156   1HG1  VAL 269          1HG1      VAL 269  37.947   6.897   2.209
  157   2HG1  VAL 269          2HG1      VAL 269  37.421   6.461   3.834
  158   3HG1  VAL 269          3HG1      VAL 269  36.393   7.469   2.816
  159   1HG2  VAL 269          1HG2      VAL 269  35.097   4.726   3.825
  160   2HG2  VAL 269          2HG2      VAL 269  34.383   4.701   2.212
  161   3HG2  VAL 269          3HG2      VAL 269  34.604   6.234   3.057
  162    H    THR 270           H        THR 270  36.945   7.778  -0.174
  163    HA   THR 270           HA       THR 270  34.326   9.011   0.189
  164    HB   THR 270           HB       THR 270  35.448  11.084  -0.443
  165    HG1  THR 270           HG1      THR 270  37.229  11.029  -1.540
  166   1HG2  THR 270          1HG2      THR 270  37.261  11.052   1.324
  167   2HG2  THR 270          2HG2      THR 270  36.970   9.321   1.487
  168   3HG2  THR 270          3HG2      THR 270  35.687  10.470   1.868
  169    H    VAL 271           H        VAL 271  35.656   7.092  -2.098
  170    HA   VAL 271           HA       VAL 271  34.142   8.393  -4.285
  171    HB   VAL 271           HB       VAL 271  36.681   6.758  -4.480
  172   1HG1  VAL 271          1HG1      VAL 271  36.171   7.975  -6.923
  173   2HG1  VAL 271          2HG1      VAL 271  34.576   7.432  -6.401
  174   3HG1  VAL 271          3HG1      VAL 271  35.898   6.273  -6.548
  175   1HG2  VAL 271          1HG2      VAL 271  36.232   9.525  -4.013
  176   2HG2  VAL 271          2HG2      VAL 271  36.759   9.371  -5.690
  177   3HG2  VAL 271          3HG2      VAL 271  37.763   8.733  -4.387
  178    H    VAL 272           H        VAL 272  35.022   5.440  -2.622
  179    HA   VAL 272           HA       VAL 272  33.462   3.757  -4.397
  180    HB   VAL 272           HB       VAL 272  34.598   2.999  -1.706
  181   1HG1  VAL 272          1HG1      VAL 272  34.554   0.774  -2.592
  182   2HG1  VAL 272          2HG1      VAL 272  34.227   1.360  -4.223
  183   3HG1  VAL 272          3HG1      VAL 272  32.986   1.485  -2.975
  184   1HG2  VAL 272          1HG2      VAL 272  36.520   3.826  -2.753
  185   2HG2  VAL 272          2HG2      VAL 272  35.937   3.417  -4.366
  186   3HG2  VAL 272          3HG2      VAL 272  36.519   2.146  -3.290
  187    H    LEU 273           H        LEU 273  33.042   5.471  -1.402
  188    HA   LEU 273           HA       LEU 273  30.521   4.083  -0.831
  189   1HB   LEU 273          1HB       LEU 273  32.220   4.583   0.980
  190   2HB   LEU 273          2HB       LEU 273  31.830   6.287   0.770
  191    HG   LEU 273           HG       LEU 273  29.339   5.414   1.045
  192   1HD1  LEU 273          1HD1      LEU 273  30.507   3.011   1.246
  193   2HD1  LEU 273          2HD1      LEU 273  29.054   3.413   2.160
  194   3HD1  LEU 273          3HD1      LEU 273  30.635   3.499   2.935
  195   1HD2  LEU 273          1HD2      LEU 273  30.405   7.034   2.529
  196   2HD2  LEU 273          2HD2      LEU 273  31.322   5.750   3.316
  197   3HD2  LEU 273          3HD2      LEU 273  29.570   5.821   3.500
  198    H    TYR 274           H        TYR 274  31.622   7.484  -0.977
  199    HA   TYR 274           HA       TYR 274  29.054   8.609  -1.163
  200   1HB   TYR 274          1HB       TYR 274  31.810   9.568  -1.862
  201   2HB   TYR 274          2HB       TYR 274  30.402  10.545  -2.279
  202    HD1  TYR 274           HD1      TYR 274  31.805   8.612   0.614
  203    HD2  TYR 274           HD2      TYR 274  29.574  12.044  -0.686
  204    HE1  TYR 274           HE1      TYR 274  31.676   9.416   2.957
  205    HE2  TYR 274           HE2      TYR 274  29.444  12.847   1.655
  206    HH   TYR 274           HH       TYR 274  29.978  10.988   4.267
  207    H    LYS 275           H        LYS 275  31.341   8.970  -3.831
  208    HA   LYS 275           HA       LYS 275  29.567   9.369  -5.861
  209   1HB   LYS 275          1HB       LYS 275  32.307   8.232  -5.728
  210   2HB   LYS 275          2HB       LYS 275  31.418   7.986  -7.231
  211   1HG   LYS 275          1HG       LYS 275  31.502  10.711  -5.951
  212   2HG   LYS 275          2HG       LYS 275  32.843  10.162  -6.955
  213   1HD   LYS 275          1HD       LYS 275  31.624  10.289  -8.882
  214   2HD   LYS 275          2HD       LYS 275  30.142   9.736  -8.101
  215   1HE   LYS 275          1HE       LYS 275  29.991  12.111  -8.835
  216   2HE   LYS 275          2HE       LYS 275  29.814  11.936  -7.088
  217   1HZ   LYS 275          1HZ       LYS 275  32.215  12.813  -8.587
  218   2HZ   LYS 275          2HZ       LYS 275  32.260  12.377  -6.946
  219   3HZ   LYS 275          3HZ       LYS 275  31.319  13.698  -7.451
  220    H    LYS 276           H        LYS 276  30.838   6.184  -4.863
  221    HA   LYS 276           HA       LYS 276  28.743   4.898  -6.481
  222   1HB   LYS 276          1HB       LYS 276  30.923   3.998  -6.897
  223   2HB   LYS 276          2HB       LYS 276  31.250   3.833  -5.172
  224   1HG   LYS 276          1HG       LYS 276  29.799   2.014  -4.933
  225   2HG   LYS 276          2HG       LYS 276  28.875   2.437  -6.375
  226   1HD   LYS 276          1HD       LYS 276  30.296   0.465  -6.793
  227   2HD   LYS 276          2HD       LYS 276  30.803   1.828  -7.792
  228   1HE   LYS 276          1HE       LYS 276  32.650   2.316  -6.337
  229   2HE   LYS 276          2HE       LYS 276  32.061   1.192  -5.113
  230   1HZ   LYS 276          1HZ       LYS 276  33.704   0.007  -6.213
  231   2HZ   LYS 276          2HZ       LYS 276  33.260   0.595  -7.744
  232   3HZ   LYS 276          3HZ       LYS 276  32.282  -0.547  -6.953
  233   1HN   NH2 277          1HN       NH2 277  30.184   4.212  -3.239
  234   2HN   NH2 277          2HN       NH2 277  28.689   3.826  -2.509