*HEADER    HORMONE/GROWTH FACTOR                   16-OCT-98   1BYV              
*TITLE     GLYCOSYLATED EEL CALCITONIN                                           
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: CALCITONIN;                                                
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 OTHER_DETAILS: SYNTHETICALLY GLYCOLYLATED AT ASN3                    
*SOURCE    MOL_ID: 1                                                             
*KEYWDS    HOROMONE, CALCIUM-REGULATOR, OSTEOPOROSIS                             
*EXPDTA    NMR, 10 STRUCTURES                                                    
*AUTHOR    Y.HASHIMOTO, K.TOMA, J.NISHIKIDO, K.YAMAMOTO, K.HANEDA,               
*AUTHOR   2 T.INAZU, K.G.VALENTINE, S.J.OPELLA                                   
*REVDAT   2   22-DEC-99 1BYV    4       HEADER COMPND REMARK JRNL                
*REVDAT   2 2                   4       ATOM   SOURCE SEQRES                     
*REVDAT   1   28-OCT-98 1BYV    0                                                

!BIOSYM restraint 1
!
#chiral
1:CYSN_1:CA          R
1:SER_2:CA           S
1:ASN_3:CA           S
1:LEU_4:CA           S
1:SER_5:CA           S
1:THR_6:CA           S
1:THR_6:CB           R
1:CYS_7:CA           R
1:VAL_8:CA           S
1:LEU_9:CA           S
1:LYS_11:CA          S
1:LEU_12:CA          S
1:SER_13:CA          S
1:GLN_14:CA          S
1:GLU_15:CA          S
1:LEU_16:CA          S
1:HISD_17:CA         S
1:LYS_18:CA          S
1:LEU_19:CA          S
1:GLN_20:CA          S
1:THR_21:CA          S
1:THR_21:CB          R
1:TYR_22:CA          S
1:PRO_23:CA          S
1:ARG_24:CA          S
1:THR_25:CA          S
1:THR_25:CB          R
1:ASP_26:CA          S
1:VAL_27:CA          S
1:ALA_29:CA          S
1:THR_31:CA          S
1:THR_31:CB          R
1:PROC_32:CA         S
1:BDGL_1G:C5         R
1:BDGL_1G:C1         R
1:BDGL_1G:C2         R
1:BDGL_1G:C3         R
1:BDGL_1G:C4         S
!
#distance
1:CYS_7:HB*        1:CYSN_1:S          2.500  3.500  1.00  1.00 1000.000
1:CYSN_1:HB*       1:CYS_7:S           2.500  3.500  1.00  1.00 1000.000
1:CYSN_1:S         1:CYS_7:S           1.900  2.100  1.00  1.00 1000.000
1:LEU_19:N         1:GLU_15:O          2.800  3.300  1.00  1.00 1000.000
1:LYS_18:N         1:GLN_14:O          2.800  3.300  1.00  1.00 1000.000
1:LEU_16:N         1:LEU_12:O          2.800  3.300  1.00  1.00 1000.000
1:GLU_15:N         1:LYS_11:O          2.800  3.300  1.00  1.00 1000.000
1:GLN_14:N         1:GLY_10:O          2.800  3.300  1.00  1.00 1000.000
1:SER_13:N         1:LEU_9:O           2.800  3.300  1.00  1.00 1000.000
1:LEU_12:N         1:VAL_8:O           2.800  3.300  1.00  1.00 1000.000
1:LYS_11:N         1:CYS_7:O           2.800  3.300  1.00  1.00 1000.000
1:GLY_10:N         1:THR_6:O           2.800  3.300  1.00  1.00 1000.000
1:LEU_9:N          1:SER_5:O           2.800  3.300  1.00  1.00 1000.000
1:LEU_9:HN         1:SER_5:O           1.800  2.200  1.00  1.00 1000.000
1:GLY_10:HN        1:THR_6:O           1.800  2.200  1.00  1.00 1000.000
1:LYS_11:HN        1:CYS_7:O           1.800  2.200  1.00  1.00 1000.000
1:LEU_12:HN        1:VAL_8:O           1.800  2.200  1.00  1.00 1000.000
1:SER_13:HN        1:LEU_9:O           1.800  2.200  1.00  1.00 1000.000
1:GLN_14:HN        1:GLY_10:O          1.800  2.200  1.00  1.00 1000.000
1:GLU_15:HN        1:LYS_11:O          1.800  2.200  1.00  1.00 1000.000
1:LEU_16:HN        1:LEU_12:O          1.800  2.200  1.00  1.00 1000.000
1:LYS_18:HN        1:GLN_14:O          1.800  2.200  1.00  1.00 1000.000
1:LEU_19:HN        1:GLU_15:O          1.800  2.200  1.00  1.00 1000.000
1:LEU_9:HN         1:VAL_8:HN          1.800  2.900  1.00  1.00 1000.000
1:CYS_7:HN         1:VAL_8:HN          1.800  2.900  1.00  1.00 1000.000
1:SER_5:HN         1:LEU_4:HN          1.800  3.800  1.00  1.00 1000.000
1:LEU_12:HN        1:SER_13:HN         1.800  3.800  1.00  1.00 1000.000
1:THR_6:HN         1:CYS_7:HN          1.800  3.800  1.00  1.00 1000.000
1:GLN_14:HN        1:SER_13:HN         1.800  3.800  1.00  1.00 1000.000
1:LYS_11:HN        1:LEU_12:HN         1.800  3.800  1.00  1.00 1000.000
1:LYS_11:HN        1:GLY_10:HN         1.800  3.800  1.00  1.00 1000.000
1:HISD_17:HN       1:LEU_16:HN         1.800  3.800  1.00  1.00 1000.000
1:GLU_15:HN        1:LEU_16:HN         1.800  3.800  1.00  1.00 1000.000
1:GLN_14:HN        1:GLU_15:HN         1.800  3.800  1.00  1.00 1000.000
1:LYS_18:HN        1:HISD_17:HN        1.800  3.800  1.00  1.00 1000.000
1:THR_21:HN        1:GLN_20:HN         1.800  3.800  1.00  1.00 1000.000
1:THR_21:HN        1:TYR_22:HN         1.800  3.800  1.00  1.00 1000.000
1:THR_6:HN         1:SER_5:HN          1.800  3.800  1.00  1.00 1000.000
1:GLY_10:HN        1:LEU_9:HN          1.800  3.800  1.00  1.00 1000.000
1:VAL_8:HA         1:VAL_8:HN          1.800  3.800  1.00  1.00 1000.000
1:VAL_8:HA         1:LEU_9:HN          1.800  5.000  1.00  1.00 1000.000
1:VAL_8:HA         1:LYS_11:HN         1.800  3.800  1.00  1.00 1000.000
1:GLY_10:HA2       1:LYS_11:HN         1.800  3.800  1.00  1.00 1000.000
1:GLY_10:HA1       1:LYS_11:HN         1.800  3.800  1.00  1.00 1000.000
1:THR_21:HA        1:THR_21:HN         1.800  3.800  1.00  1.00 1000.000
1:GLN_20:HA        1:THR_21:HN         1.800  3.800  1.00  1.00 1000.000
1:THR_21:HB        1:THR_21:HN         1.800  3.800  1.00  1.00 1000.000
1:LEU_19:HA        1:TYR_22:HN         1.800  3.800  1.00  1.00 1000.000
1:THR_21:HB        1:TYR_22:HN         1.800  6.000  1.00  1.00 1000.000
1:LYS_11:HA        1:LYS_11:HN         1.800  3.800  1.00  1.00 1000.000
1:THR_21:HA        1:TYR_22:HN         1.800  3.800  1.00  1.00 1000.000
1:SER_5:HA         1:SER_5:HN          1.800  3.800  1.00  1.00 1000.000
1:LEU_9:HA         1:LEU_9:HN          1.800  2.900  1.00  1.00 1000.000
1:SER_5:HB*        1:SER_5:HN          1.800  4.800  1.00  1.00 1000.000
1:GLY_10:HA2       1:GLY_10:HN         1.800  3.800  1.00  1.00 1000.000
1:GLY_10:HA1       1:GLY_10:HN         1.800  2.900  1.00  1.00 1000.000
1:THR_6:HA         1:THR_6:HN          1.800  3.800  1.00  1.00 1000.000
1:THR_6:HB         1:THR_6:HN          1.800  3.800  1.00  1.00 1000.000
1:SER_5:HB*        1:THR_6:HN          1.800  4.800  1.00  1.00 1000.000
1:SER_5:HA         1:THR_6:HN          1.800  3.800  1.00  1.00 1000.000
1:LEU_12:HA        1:GLU_15:HN         1.800  3.800  1.00  1.00 1000.000
1:GLN_14:HA        1:GLU_15:HN         1.800  3.800  1.00  1.00 1000.000
1:GLN_14:HA        1:HISD_17:HN        1.800  3.800  1.00  1.00 1000.000
1:THR_6:HA         1:GLY_10:HN         1.800  5.000  1.00  1.00 1000.000
1:THR_6:HA         1:LEU_9:HN          1.800  3.800  1.00  1.00 1000.000
1:THR_6:HA         1:CYS_7:HN          1.800  3.800  1.00  1.00 1000.000
1:SER_5:HA         1:VAL_8:HN          1.800  5.000  1.00  1.00 1000.000
1:LEU_16:HA        1:LEU_16:HN         1.800  2.900  1.00  1.00 1000.000
1:LEU_12:HA        1:LEU_12:HN         1.800  2.900  1.00  1.00 1000.000
1:LEU_4:HA         1:SER_5:HN          1.800  2.900  1.00  1.00 1000.000
1:LEU_4:HA         1:VAL_8:HN          1.800  3.800  1.00  1.00 1000.000
1:SER_5:HA         1:CYS_7:HN          1.800  5.000  1.00  1.00 1000.000
1:THR_6:HB         1:CYS_7:HN          1.800  3.800  1.00  1.00 1000.000
1:LYS_11:HA        1:LEU_12:HN         1.800  3.800  1.00  1.00 1000.000
1:GLU_15:HA        1:LEU_16:HN         1.800  3.800  1.00  1.00 1000.000
1:LEU_19:HA        1:GLN_20:HN         1.800  3.800  1.00  1.00 1000.000
1:GLN_20:HA        1:GLN_20:HN         1.800  3.800  1.00  1.00 1000.000
1:GLU_15:HA        1:GLU_15:HN         1.800  3.800  1.00  1.00 1000.000
1:SER_13:HB*       1:GLN_14:HN         1.800  4.800  1.00  1.00 1000.000
1:LEU_16:HA        1:LEU_19:HN         1.800  3.800  1.00  1.00 1000.000
1:GLN_14:HA        1:GLN_14:HN         1.800  2.900  1.00  1.00 1000.000
1:LYS_18:HA        1:LYS_18:HN         1.800  2.900  1.00  1.00 1000.000
1:LEU_19:HA        1:LEU_19:HN         1.800  3.800  1.00  1.00 1000.000
1:LYS_11:HA        1:GLN_14:HN         1.800  3.800  1.00  1.00 1000.000
1:HISD_17:HA       1:HISD_17:HN        1.800  3.800  1.00  1.00 1000.000
1:HISD_17:HA       1:GLN_20:HN         1.800  5.000  1.00  1.00 1000.000
1:HISD_17:HA       1:LYS_18:HN         1.800  5.000  1.00  1.00 1000.000
1:SER_2:HA         1:SER_2:HN          1.800  5.000  1.00  1.00 1000.000
1:TYR_22:HA        1:TYR_22:HN         1.800  3.800  1.00  1.00 1000.000
1:ASN_3:HA         1:ASN_3:HN          1.800  5.000  1.00  1.00 1000.000
1:GLY_10:HA2       1:SER_13:HN         1.800  5.000  1.00  1.00 1000.000
1:LEU_4:HA         1:LEU_4:HN          1.800  2.900  1.00  1.00 1000.000
1:SER_13:HB*       1:SER_13:HN         1.800  3.900  1.00  1.00 1000.000
1:ASN_3:HA         1:LEU_4:HN          1.800  3.800  1.00  1.00 1000.000
1:SER_13:HA        1:SER_13:HN         1.800  3.800  1.00  1.00 1000.000
1:LEU_16:HA        1:GLN_20:HN         1.800  5.000  1.00  1.00 1000.000
1:VAL_8:HA         1:LEU_12:HN         1.800  5.000  1.00  1.00 1000.000
1:LYS_11:HA        1:GLU_15:HN         1.800  5.000  1.00  1.00 1000.000
1:SER_2:HB*        1:SER_2:HN          1.800  4.800  1.00  1.00 1000.000
1:LEU_4:HA         1:CYS_7:HB*         1.800  4.800  1.00  1.00 1000.000
1:GLN_14:HA        1:HISD_17:HB*       1.800  3.800  1.00  1.00 1000.000
1:HISD_17:HA       1:HISD_17:HB*       1.800  4.800  1.00  1.00 1000.000
1:CYSN_1:HA        1:CYS_7:HB*         1.800  3.800  1.00  1.00 1000.000
1:PRO_23:HD1       1:TYR_22:HB*        1.800  6.000  1.00  1.00 1000.000
1:LEU_19:HA        1:TYR_22:HB*        1.800  6.000  1.00  1.00 1000.000
1:CYSN_1:HA        1:CYSN_1:HB*        1.800  6.000  1.00  1.00 1000.000
1:TYR_22:HA        1:TYR_22:HB*        1.800  3.800  1.00  1.00 1000.000
1:PRO_23:HD1       1:TYR_22:HN         1.800  3.800  1.00  1.00 1000.000
1:PRO_23:HD2       1:TYR_22:HN         1.800  5.000  1.00  1.00 1000.000
1:PRO_23:HD2       1:TYR_22:HD*        1.800  6.000  1.00  1.00 1000.000
1:PRO_23:HD1       1:TYR_22:HD*        1.800  6.000  1.00  1.00 1000.000
1:PRO_23:HD2       1:TYR_22:HB*        1.800  6.000  1.00  1.00 1000.000
1:VAL_8:HA         1:VAL_8:HB          1.800  3.800  1.00  1.00 1000.000
1:PRO_23:HD1       1:PRO_23:HB*        1.800  3.800  1.00  1.00 1000.000
1:VAL_8:HA         1:LYS_11:HB*        1.800  3.800  1.00  1.00 1000.000
1:LYS_18:HE*       1:LYS_18:HG*        1.800  5.800  1.00  1.00 1000.000
1:LYS_18:HE*       1:LYS_18:HD*        1.800  5.800  1.00  1.00 1000.000
1:LYS_11:HE*       1:LYS_11:HG*        1.800  5.800  1.00  1.00 1000.000
1:LYS_11:HE*       1:LYS_11:HD*        1.800  4.900  1.00  1.00 1000.000
1:VAL_8:HA         1:VAL_8:HG2*        1.800  3.900  1.00  1.00 1000.000
1:VAL_8:HA         1:VAL_8:HG1*        1.800  3.900  1.00  1.00 1000.000
1:SER_5:HA         1:VAL_8:HB          1.800  3.800  1.00  1.00 1000.000
1:GLN_14:HA        1:GLN_14:HG*        1.800  4.800  1.00  1.00 1000.000
1:LYS_11:HA        1:GLN_14:HG*        1.800  6.000  1.00  1.00 1000.000
1:GLN_14:HA        1:GLN_14:HB*        1.800  3.800  1.00  1.00 1000.000
1:LYS_11:HA        1:GLN_14:HB*        1.800  3.800  1.00  1.00 1000.000
1:LYS_18:HA        1:LYS_18:HB*        1.800  2.900  1.00  1.00 1000.000
1:GLU_15:HA        1:LYS_18:HB*        1.800  4.800  1.00  1.00 1000.000
1:LEU_12:HA        1:GLU_15:HB*        1.800  3.800  1.00  1.00 1000.000
1:GLN_20:HA        1:GLN_20:HG*        1.800  4.800  1.00  1.00 1000.000
1:GLN_20:HA        1:GLN_20:HB*        1.800  3.900  1.00  1.00 1000.000
1:THR_6:HA         1:LEU_9:HB*         1.800  3.900  1.00  1.00 1000.000
1:LEU_19:HA        1:LEU_19:HB*        1.800  3.900  1.00  1.00 1000.000
1:LEU_19:HA        1:LEU_19:HG         1.800  3.800  1.00  1.00 1000.000
1:LYS_18:HA        1:LYS_18:HG*        1.800  3.800  1.00  1.00 1000.000
1:LYS_18:HA        1:LYS_18:HD*        1.800  6.000  1.00  1.00 1000.000
1:THR_6:HA         1:THR_6:HG2*        1.800  3.900  1.00  1.00 1000.000
1:GLU_15:HA        1:GLU_15:HB*        1.800  4.800  1.00  1.00 1000.000
1:GLU_15:HA        1:GLU_15:HG*        1.800  4.800  1.00  1.00 1000.000
1:HISD_17:HA       1:GLN_20:HB*        1.800  3.800  1.00  1.00 1000.000
1:THR_6:HB         1:THR_6:HG2*        1.800  3.900  1.00  1.00 1000.000
1:LYS_11:HA        1:LYS_11:HG*        1.800  4.800  1.00  1.00 1000.000
1:LYS_11:HA        1:LYS_11:HB*        1.800  4.800  1.00  1.00 1000.000
1:THR_21:HB        1:THR_21:HG2*       1.800  2.900  1.00  1.00 1000.000
1:THR_21:HA        1:THR_21:HG2*       1.800  3.900  1.00  1.00 1000.000
1:HISD_17:HB*      1:HISD_17:HN        1.800  4.800  1.00  1.00 1000.000
1:HISD_17:HB*      1:LYS_18:HN         1.800  4.800  1.00  1.00 1000.000
1:HISD_17:HB*      1:HISD_17:HD2       1.800  4.800  1.00  1.00 1000.000
1:CYS_7:HB*        1:VAL_8:HN          1.800  4.800  1.00  1.00 1000.000
1:ASN_3:HB*        1:SER_5:HN          1.800  6.000  1.00  1.00 1000.000
1:ASN_3:HB*        1:ASN_3:HD2         1.800  4.800  1.00  1.00 1000.000
1:LYS_11:HE*       1:LYS_11:HZ*        1.800  4.800  1.00  1.00 1000.000
1:LYS_18:HE*       1:LYS_18:HZ*        1.800  6.000  1.00  1.00 1000.000
1:TYR_22:HB*       1:TYR_22:HN         1.800  4.800  1.00  1.00 1000.000
1:TYR_22:HB*       1:TYR_22:HD*        1.800  4.800  1.00  1.00 1000.000
1:GLU_15:HG*       1:LEU_16:HN         1.800  6.000  1.00  1.00 1000.000
1:VAL_8:HB         1:VAL_8:HN          1.800  2.900  1.00  1.00 1000.000
1:GLN_14:HG*       1:GLN_14:HN         1.800  4.800  1.00  1.00 1000.000
1:GLN_20:HG*       1:GLN_20:HN         1.800  4.800  1.00  1.00 1000.000
1:GLU_15:HG*       1:GLU_15:HN         1.800  4.800  1.00  1.00 1000.000
1:GLN_20:HB*       1:THR_21:HN         1.800  4.800  1.00  1.00 1000.000
1:LYS_11:HD*       1:LYS_11:HZ*        1.800  5.800  1.00  1.00 1000.000
1:LYS_11:HB*       1:LYS_11:HN         1.800  4.800  1.00  1.00 1000.000
1:THR_21:HG2*      1:THR_21:HN         1.800  4.800  1.00  1.00 1000.000
1:THR_21:HG2*      1:TYR_22:HN         1.800  6.000  1.00  1.00 1000.000
1:GLN_14:HB*       1:GLN_14:HN         1.800  4.800  1.00  1.00 1000.000
1:GLN_20:HB*       1:GLN_20:HN         1.800  3.900  1.00  1.00 1000.000
1:GLN_14:HB*       1:GLU_15:HN         1.800  4.800  1.00  1.00 1000.000
1:GLU_15:HB*       1:GLU_15:HN         1.800  4.800  1.00  1.00 1000.000
1:LEU_16:HB*       1:LEU_16:HN         1.800  3.900  1.00  1.00 1000.000
1:LEU_16:HG        1:LEU_16:HN         1.800  3.800  1.00  1.00 1000.000
1:LEU_16:HB*       1:HISD_17:HN        1.800  4.800  1.00  1.00 1000.000
1:THR_6:HG2*       1:THR_6:HN          1.800  4.800  1.00  1.00 1000.000
1:GLU_15:HB*       1:LEU_16:HN         1.800  4.800  1.00  1.00 1000.000
1:VAL_8:HB         1:LEU_9:HN          1.800  3.800  1.00  1.00 1000.000
1:THR_6:HG2*       1:CYS_7:HN          1.800  6.000  1.00  1.00 1000.000
1:LEU_4:HB*        1:LEU_4:HN          1.800  3.900  1.00  1.00 1000.000
1:LEU_4:HG         1:LEU_4:HN          1.800  3.800  1.00  1.00 1000.000
1:LEU_12:HG        1:SER_13:HN         1.800  3.800  1.00  1.00 1000.000
1:LEU_12:HB*       1:SER_13:HN         1.800  4.800  1.00  1.00 1000.000
1:LEU_12:HG        1:LEU_12:HN         1.800  2.900  1.00  1.00 1000.000
1:LEU_12:HB*       1:LEU_12:HN         1.800  4.800  1.00  1.00 1000.000
1:LEU_9:HB*        1:LEU_9:HN          1.800  3.900  1.00  1.00 1000.000
1:LEU_9:HG         1:LEU_9:HN          1.800  3.800  1.00  1.00 1000.000
1:LYS_11:HB*       1:LEU_12:HN         1.800  4.800  1.00  1.00 1000.000
1:LEU_9:HB*        1:GLY_10:HN         1.800  4.800  1.00  1.00 1000.000
1:LYS_18:HG*       1:LYS_18:HN         1.800  4.800  1.00  1.00 1000.000
1:LYS_18:HB*       1:LYS_18:HN         1.800  3.900  1.00  1.00 1000.000
1:LEU_19:HB*       1:LEU_19:HN         1.800  3.900  1.00  1.00 1000.000
1:LEU_19:HB*       1:GLN_20:HN         1.800  4.800  1.00  1.00 1000.000
1:LEU_19:HG        1:LEU_19:HN         1.800  2.900  1.00  1.00 1000.000
1:LEU_19:HG        1:GLN_20:HN         1.800  3.800  1.00  1.00 1000.000
1:LEU_12:HD1*      1:LEU_12:HN         1.800  4.800  1.00  1.00 1000.000
1:LEU_12:HD2*      1:LEU_12:HN         1.800  4.800  1.00  1.00 1000.000
1:ASN_3:HB*        1:LEU_4:HN          1.800  4.800  1.00  1.00 1000.000
1:CYS_7:HB*        1:CYS_7:HN          1.800  4.800  1.00  1.00 1000.000
1:VAL_8:HA         1:GLY_10:HN         1.800  5.000  1.00  1.00 1000.000
1:GLU_15:HA        1:LYS_18:HN         1.800  3.800  1.00  1.00 1000.000
1:LEU_16:HA        1:GLU_15:HG*        1.800  3.800  1.00  1.00 1000.000
1:TYR_22:HA        1:TYR_22:HD*        1.800  4.800  1.00  1.00 1000.000
1:LEU_16:HA        1:HISD_17:HN        1.800  3.800  1.00  1.00 1000.000
1:BDGL_1G:H1       1:THR_6:HG2*        1.800  4.800  1.00  1.00 1000.000
1:BDGL_1G:H2       1:THR_6:HG2*        1.800  4.800  1.00  1.00 1000.000
1:BDGL_1G:H5       1:THR_6:HG2*        1.800  4.800  1.00  1.00 1000.000
1:BDGL_1G:H1       1:ASN_3:HB*         1.800  3.900  1.00  1.00 1000.000
1:BDGL_1G:H3       1:THR_6:HG2*        1.800  6.000  1.00  1.00 1000.000         
!
#mixing_times
-9.990000E+02 
!
#NMR_dihedral
1:BDGL_1G:H1       1:BDGL_1G:C1       1:BDGL_1G:C2       1:BDGL_1G:H2       130.000 -130.000 30.00 30.00 1000.000
1:BDGL_1G:H3       1:BDGL_1G:C3       1:BDGL_1G:C2       1:BDGL_1G:H2       130.000 -130.000 30.00 30.00 1000.000
1:BDGL_1G:H3       1:BDGL_1G:C3       1:BDGL_1G:C4       1:BDGL_1G:H4       130.000 -130.000 30.00 30.00 1000.000
1:BDGL_1G:H5       1:BDGL_1G:C5       1:BDGL_1G:C4       1:BDGL_1G:H4       130.000 -130.000 30.00 30.00 1000.000
1:BDGL_1G:H5       1:BDGL_1G:C5       1:BDGL_1G:O        1:BDGL_1G:C1       -110.000 -10.000 30.00 30.00 1000.000
!


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    CYS   1          1H        CYS   1   1.693 -15.023   8.172
    2   2H    CYS   1          2H        CYS   1   2.107 -14.109   9.481
    3   3H    CYS   1          3H        CYS   1   1.747 -13.379   8.046
    4    HA   CYS   1           HA       CYS   1   3.621 -14.352   6.999
    5   1HB   CYS   1          1HB       CYS   1   4.109 -12.717   9.497
    6   2HB   CYS   1          2HB       CYS   1   5.414 -13.194   8.416
    7    H    SER   2           H        SER   2   5.753 -15.271   7.285
    8    HA   SER   2           HA       SER   2   6.319 -16.946   9.597
    9   1HB   SER   2          1HB       SER   2   4.757 -18.393   8.294
   10   2HB   SER   2          2HB       SER   2   5.837 -18.252   6.892
   11    HG   SER   2           HG       SER   2   6.222 -20.135   8.123
   12    H    ASN   3           H        ASN   3   7.136 -15.781   6.331
   13    HA   ASN   3           HA       ASN   3   9.783 -16.781   6.225
   14   1HB   ASN   3          1HB       ASN   3   9.234 -14.178   4.870
   15   2HB   ASN   3          2HB       ASN   3  10.028 -15.625   4.272
   16   1HD2  ASN   3          1HD2      ASN   3   7.117 -13.839   4.609
   17    H    LEU   4           H        LEU   4   8.469 -13.637   7.296
   18    HA   LEU   4           HA       LEU   4   9.293 -11.861   8.390
   19   1HB   LEU   4          1HB       LEU   4  11.446 -13.673   9.531
   20   2HB   LEU   4          2HB       LEU   4  10.880 -12.127  10.166
   21    HG   LEU   4           HG       LEU   4   9.265 -14.713  10.017
   22   1HD1  LEU   4          1HD1      LEU   4  11.033 -14.691  11.735
   23   2HD1  LEU   4          2HD1      LEU   4  10.392 -13.165  12.383
   24   3HD1  LEU   4          3HD1      LEU   4   9.416 -14.649  12.462
   25   1HD2  LEU   4          1HD2      LEU   4   8.484 -11.964  11.087
   26   2HD2  LEU   4          2HD2      LEU   4   7.721 -12.830   9.733
   27   3HD2  LEU   4          3HD2      LEU   4   7.578 -13.464  11.374
   28    H    SER   5           H        SER   5   9.914 -12.097   5.766
   29    HA   SER   5           HA       SER   5  12.090 -10.258   5.455
   30   1HB   SER   5          1HB       SER   5  13.500 -12.262   5.632
   31   2HB   SER   5          2HB       SER   5  12.506 -13.116   4.441
   32    HG   SER   5           HG       SER   5  14.386 -12.185   3.536
   33    H    THR   6           H        THR   6  10.613 -12.892   3.494
   34    HA   THR   6           HA       THR   6   9.647 -11.187   1.382
   35    HB   THR   6           HB       THR   6   8.936 -14.001   2.279
   36    HG1  THR   6           HG1      THR   6  10.237 -14.517   0.499
   37   1HG2  THR   6          1HG2      THR   6   8.159 -12.546  -0.280
   38   2HG2  THR   6          2HG2      THR   6   7.962 -14.288   0.022
   39   3HG2  THR   6          3HG2      THR   6   7.045 -13.123   0.976
   40    H    CYS   7           H        CYS   7   8.442 -12.222   4.553
   41    HA   CYS   7           HA       CYS   7   5.769 -11.320   4.489
   42   1HB   CYS   7          1HB       CYS   7   6.652 -12.534   6.376
   43   2HB   CYS   7          2HB       CYS   7   7.897 -11.312   6.636
   44    H    VAL   8           H        VAL   8   8.757  -9.569   5.464
   45    HA   VAL   8           HA       VAL   8   7.508  -7.095   5.956
   46    HB   VAL   8           HB       VAL   8  10.415  -7.746   5.299
   47   1HG1  VAL   8          1HG2      VAL   8   9.169  -5.269   6.566
   48   2HG1  VAL   8          2HG2      VAL   8  10.907  -5.637   6.540
   49   3HG1  VAL   8          3HG2      VAL   8  10.052  -5.347   5.023
   50   1HG2  VAL   8          1HG1      VAL   8   8.950  -7.470   7.960
   51   2HG2  VAL   8          2HG1      VAL   8   9.596  -8.978   7.279
   52   3HG2  VAL   8          3HG1      VAL   8  10.700  -7.688   7.762
   53    H    LEU   9           H        LEU   9   9.485  -8.118   3.132
   54    HA   LEU   9           HA       LEU   9   9.225  -5.763   1.614
   55   1HB   LEU   9          1HB       LEU   9   9.636  -8.658   0.784
   56   2HB   LEU   9          2HB       LEU   9   9.840  -7.287  -0.311
   57    HG   LEU   9           HG       LEU   9  11.442  -7.591   2.272
   58   1HD1  LEU   9          1HD1      LEU   9  11.876  -9.507   0.786
   59   2HD1  LEU   9          2HD1      LEU   9  12.192  -8.398  -0.566
   60   3HD1  LEU   9          3HD1      LEU   9  13.271  -8.416   0.846
   61   1HD2  LEU   9          1HD2      LEU   9  11.838  -5.863  -0.212
   62   2HD2  LEU   9          2HD2      LEU   9  11.394  -5.283   1.409
   63   3HD2  LEU   9          3HD2      LEU   9  12.982  -6.007   1.137
   64    H    GLY  10           H        GLY  10   7.250  -8.770   1.508
   65   1HA   GLY  10          1HA       GLY  10   5.528  -8.000  -0.603
   66   2HA   GLY  10          2HA       GLY  10   5.194  -9.206   0.646
   67    H    LYS  11           H        LYS  11   5.251  -7.598   2.961
   68    HA   LYS  11           HA       LYS  11   2.600  -6.634   3.019
   69   1HB   LYS  11          1HB       LYS  11   3.805  -7.561   4.923
   70   2HB   LYS  11          2HB       LYS  11   4.887  -6.153   4.970
   71   1HG   LYS  11          1HG       LYS  11   2.832  -4.714   5.358
   72   2HG   LYS  11          2HG       LYS  11   1.873  -6.196   5.446
   73   1HD   LYS  11          1HD       LYS  11   4.156  -5.326   7.275
   74   2HD   LYS  11          2HD       LYS  11   2.439  -5.399   7.684
   75   1HE   LYS  11          1HE       LYS  11   4.291  -7.764   7.142
   76   2HE   LYS  11          2HE       LYS  11   3.597  -7.276   8.689
   77   1HZ   LYS  11          1HZ       LYS  11   1.431  -7.742   7.813
   78   2HZ   LYS  11          2HZ       LYS  11   2.073  -8.218   6.370
   79   3HZ   LYS  11          3HZ       LYS  11   2.398  -9.076   7.739
   80    H    LEU  12           H        LEU  12   5.722  -4.773   3.155
   81    HA   LEU  12           HA       LEU  12   4.385  -2.256   3.126
   82   1HB   LEU  12          1HB       LEU  12   6.523  -1.235   2.950
   83   2HB   LEU  12          2HB       LEU  12   6.550  -2.571   4.092
   84    HG   LEU  12           HG       LEU  12   7.496  -3.932   2.000
   85   1HD1  LEU  12          1HD1      LEU  12   8.402  -1.073   1.404
   86   2HD1  LEU  12          2HD1      LEU  12   9.015  -2.547   0.631
   87   3HD1  LEU  12          3HD1      LEU  12   7.351  -2.032   0.352
   88   1HD2  LEU  12          1HD2      LEU  12   8.643  -3.564   4.160
   89   2HD2  LEU  12          2HD2      LEU  12   9.765  -3.415   2.797
   90   3HD2  LEU  12          3HD2      LEU  12   9.158  -1.957   3.613
   91    H    SER  13           H        SER  13   5.579  -4.341   0.485
   92    HA   SER  13           HA       SER  13   5.324  -2.416  -1.606
   93   1HB   SER  13          1HB       SER  13   6.591  -4.497  -1.844
   94   2HB   SER  13          2HB       SER  13   5.100  -5.454  -1.687
   95    HG   SER  13           HG       SER  13   5.706  -5.089  -3.859
   96    H    GLN  14           H        GLN  14   3.080  -4.944  -0.376
   97    HA   GLN  14           HA       GLN  14   0.873  -4.382  -2.033
   98   1HB   GLN  14          1HB       GLN  14   1.166  -6.417  -0.693
   99   2HB   GLN  14          2HB       GLN  14   0.960  -5.490   0.804
  100   1HG   GLN  14          1HG       GLN  14  -1.348  -4.892   0.121
  101   2HG   GLN  14          2HG       GLN  14  -1.132  -5.775  -1.400
  102   1HE2  GLN  14          2HE2      GLN  14  -0.517  -8.163  -1.152
  103   2HE2  GLN  14          1HE2      GLN  14  -1.281  -9.045   0.153
  104    H    GLU  15           H        GLU  15   1.825  -3.009   1.151
  105    HA   GLU  15           HA       GLU  15  -0.476  -1.425   1.596
  106   1HB   GLU  15          1HB       GLU  15   1.142  -1.940   3.334
  107   2HB   GLU  15          2HB       GLU  15   2.408  -1.037   2.483
  108   1HG   GLU  15          1HG       GLU  15   1.189   1.063   2.782
  109   2HG   GLU  15          2HG       GLU  15  -0.185   0.196   3.492
  110    H    LEU  16           H        LEU  16   2.657  -0.625  -0.017
  111    HA   LEU  16           HA       LEU  16   1.980   2.070  -0.606
  112   1HB   LEU  16          1HB       LEU  16   3.937   0.107  -1.844
  113   2HB   LEU  16          2HB       LEU  16   3.832   1.786  -2.374
  114    HG   LEU  16           HG       LEU  16   4.327   1.074   0.545
  115   1HD1  LEU  16          1HD1      LEU  16   6.101   0.039  -0.838
  116   2HD1  LEU  16          2HD1      LEU  16   6.384   1.595  -1.644
  117   3HD1  LEU  16          3HD1      LEU  16   6.726   1.412   0.091
  118   1HD2  LEU  16          1HD2      LEU  16   4.868   3.585  -1.102
  119   2HD2  LEU  16          2HD2      LEU  16   3.604   3.402   0.132
  120   3HD2  LEU  16          3HD2      LEU  16   5.306   3.347   0.601
  121    H    HIS  17           H        HIS  17   1.274  -0.963  -2.361
  122    HA   HIS  17           HA       HIS  17   0.301   0.345  -4.749
  123   1HB   HIS  17          1HB       HIS  17  -0.356  -2.403  -3.617
  124   2HB   HIS  17          2HB       HIS  17  -0.680  -1.837  -5.257
  125    HD1  HIS  17           HD1      HIS  17   1.044  -4.362  -4.652
  126    HD2  HIS  17           HD2      HIS  17   2.605  -0.536  -5.364
  127    HE1  HIS  17           HE1      HIS  17   3.425  -4.656  -5.487
  128    H    LYS  18           H        LYS  18  -1.222  -0.870  -1.744
  129    HA   LYS  18           HA       LYS  18  -3.912  -0.461  -2.535
  130   1HB   LYS  18          1HB       LYS  18  -3.200  -1.997  -0.767
  131   2HB   LYS  18          2HB       LYS  18  -2.656  -0.644   0.236
  132   1HG   LYS  18          1HG       LYS  18  -4.986   0.214   0.342
  133   2HG   LYS  18          2HG       LYS  18  -5.516  -1.117  -0.709
  134   1HD   LYS  18          1HD       LYS  18  -4.802  -2.758   1.007
  135   2HD   LYS  18          2HD       LYS  18  -4.179  -1.441   2.018
  136   1HE   LYS  18          1HE       LYS  18  -6.344  -2.146   2.862
  137   2HE   LYS  18          2HE       LYS  18  -6.473  -0.501   2.214
  138   1HZ   LYS  18          1HZ       LYS  18  -7.273  -2.962   0.824
  139   2HZ   LYS  18          2HZ       LYS  18  -8.293  -1.891   1.554
  140   3HZ   LYS  18          3HZ       LYS  18  -7.424  -1.429   0.233
  141    H    LEU  19           H        LEU  19  -1.897   1.451  -0.225
  142    HA   LEU  19           HA       LEU  19  -3.823   3.590  -0.055
  143   1HB   LEU  19          1HB       LEU  19  -0.898   3.568   0.787
  144   2HB   LEU  19          2HB       LEU  19  -2.154   4.697   1.311
  145    HG   LEU  19           HG       LEU  19  -2.000   1.708   1.926
  146   1HD1  LEU  19          1HD1      LEU  19  -0.393   3.125   3.152
  147   2HD1  LEU  19          2HD1      LEU  19  -1.724   4.162   3.707
  148   3HD1  LEU  19          3HD1      LEU  19  -1.636   2.466   4.231
  149   1HD2  LEU  19          1HD2      LEU  19  -4.106   3.756   2.734
  150   2HD2  LEU  19          2HD2      LEU  19  -4.365   2.299   1.751
  151   3HD2  LEU  19          3HD2      LEU  19  -3.930   2.144   3.455
  152    H    GLN  20           H        GLN  20  -0.463   3.529  -1.332
  153    HA   GLN  20           HA       GLN  20   0.601   4.709  -2.909
  154   1HB   GLN  20          1HB       GLN  20  -1.100   3.251  -4.158
  155   2HB   GLN  20          2HB       GLN  20  -2.023   4.728  -4.448
  156   1HG   GLN  20          1HG       GLN  20  -0.021   5.694  -5.614
  157   2HG   GLN  20          2HG       GLN  20   0.884   4.218  -5.244
  158   1HE2  GLN  20          2HE2      GLN  20   0.976   4.701  -7.784
  159   2HE2  GLN  20          1HE2      GLN  20  -0.168   3.762  -8.719
  160    H    THR  21           H        THR  21  -0.174   6.289  -0.833
  161    HA   THR  21           HA       THR  21  -0.478   8.364  -0.112
  162    HB   THR  21           HB       THR  21   0.188   9.415  -2.883
  163    HG1  THR  21           HG1      THR  21   2.349   9.064  -2.298
  164   1HG2  THR  21          1HG2      THR  21   0.962  10.318  -0.065
  165   2HG2  THR  21          2HG2      THR  21   1.481  11.081  -1.579
  166   3HG2  THR  21          3HG2      THR  21  -0.219  11.138  -1.104
  167    H    TYR  22           H        TYR  22  -2.785   6.944  -1.115
  168    HA   TYR  22           HA       TYR  22  -4.989   7.200  -1.453
  169   1HB   TYR  22          1HB       TYR  22  -4.477   9.847  -0.078
  170   2HB   TYR  22          2HB       TYR  22  -6.023   9.010  -0.238
  171    HD1  TYR  22           HD1      TYR  22  -6.498   6.944   1.020
  172    HD2  TYR  22           HD2      TYR  22  -2.765   9.051   1.495
  173    HE1  TYR  22           HE1      TYR  22  -6.036   5.664   3.091
  174    HE2  TYR  22           HE2      TYR  22  -2.290   7.746   3.545
  175    HH   TYR  22           HH       TYR  22  -3.037   6.128   5.000
  176    HA   PRO  23           HA       PRO  23  -4.864   9.918  -5.215
  177   1HB   PRO  23          1HB       PRO  23  -5.241   8.087  -7.162
  178   2HB   PRO  23          2HB       PRO  23  -3.673   8.245  -6.329
  179   1HG   PRO  23          1HG       PRO  23  -5.868   6.249  -5.703
  180   2HG   PRO  23          2HG       PRO  23  -4.135   5.919  -5.990
  181   1HD   PRO  23          1HD       PRO  23  -5.202   6.225  -3.481
  182   2HD   PRO  23          2HD       PRO  23  -3.539   6.754  -3.879
  183    H    ARG  24           H        ARG  24  -6.807  10.479  -3.758
  184    HA   ARG  24           HA       ARG  24  -9.349   9.222  -4.177
  185   1HB   ARG  24          1HB       ARG  24  -8.676  12.009  -3.137
  186   2HB   ARG  24          2HB       ARG  24 -10.246  11.196  -3.024
  187   1HG   ARG  24          1HG       ARG  24  -9.143   9.355  -1.702
  188   2HG   ARG  24          2HG       ARG  24  -7.635  10.289  -1.738
  189   1HD   ARG  24          1HD       ARG  24  -8.883  12.205  -0.639
  190   2HD   ARG  24          2HD       ARG  24 -10.274  11.126  -0.487
  191    HE   ARG  24           HE       ARG  24  -9.261   9.951   1.201
  192   1HH1  ARG  24          1HH2      ARG  24  -6.844  12.153  -0.226
  193   2HH1  ARG  24          2HH2      ARG  24  -5.690  11.880   1.057
  194   1HH2  ARG  24          1HH1      ARG  24  -7.719   9.614   2.837
  195   2HH2  ARG  24          2HH1      ARG  24  -6.178  10.438   2.782
  196    H    THR  25           H        THR  25  -8.031  12.372  -5.288
  197    HA   THR  25           HA       THR  25  -9.260  12.067  -7.932
  198    HB   THR  25           HB       THR  25  -9.878  14.381  -6.055
  199    HG1  THR  25           HG1      THR  25 -11.997  13.701  -6.354
  200   1HG2  THR  25          1HG2      THR  25 -10.546  14.033  -9.011
  201   2HG2  THR  25          2HG2      THR  25 -11.245  15.278  -7.956
  202   3HG2  THR  25          3HG2      THR  25  -9.513  15.294  -8.297
  203    H    ASP  26           H        ASP  26  -8.034  13.106  -9.477
  204    HA   ASP  26           HA       ASP  26  -5.915  14.999  -8.708
  205   1HB   ASP  26          1HB       ASP  26  -4.865  12.792  -8.386
  206   2HB   ASP  26          2HB       ASP  26  -5.321  12.313 -10.024
  207    H    VAL  27           H        VAL  27  -7.044  16.505  -9.895
  208    HA   VAL  27           HA       VAL  27  -6.637  16.404 -12.779
  209    HB   VAL  27           HB       VAL  27  -8.804  15.266 -12.521
  210   1HG1  VAL  27          1HG1      VAL  27  -9.594  16.424 -10.431
  211   2HG1  VAL  27          2HG1      VAL  27  -9.924  17.872 -11.407
  212   3HG1  VAL  27          3HG1      VAL  27 -10.792  16.366 -11.732
  213   1HG2  VAL  27          1HG2      VAL  27  -8.317  16.616 -14.531
  214   2HG2  VAL  27          2HG2      VAL  27 -10.046  16.589 -14.141
  215   3HG2  VAL  27          3HG2      VAL  27  -9.080  18.029 -13.769
  216    H    GLY  28           H        GLY  28  -7.944  18.164  -9.949
  217   1HA   GLY  28          1HA       GLY  28  -6.397  20.483 -10.295
  218   2HA   GLY  28          2HA       GLY  28  -7.944  20.756 -11.125
  219    H    ALA  29           H        ALA  29  -9.828  19.590  -9.658
  220    HA   ALA  29           HA       ALA  29 -10.195  21.305  -7.419
  221   1HB   ALA  29          1HB       ALA  29 -12.043  20.425  -8.766
  222   2HB   ALA  29          2HB       ALA  29 -11.675  18.770  -8.237
  223   3HB   ALA  29          3HB       ALA  29 -12.240  19.979  -7.060
  224    H    GLY  30           H        GLY  30  -9.574  17.748  -7.603
  225   1HA   GLY  30          1HA       GLY  30  -8.522  16.332  -6.149
  226   2HA   GLY  30          2HA       GLY  30  -7.908  17.730  -5.260
  227    H    THR  31           H        THR  31 -11.178  16.357  -5.941
  228    HA   THR  31           HA       THR  31 -12.194  17.100  -3.362
  229    HB   THR  31           HB       THR  31 -14.238  15.899  -4.134
  230    HG1  THR  31           HG1      THR  31 -12.675  15.319  -6.421
  231   1HG2  THR  31          1HG2      THR  31 -13.833  18.260  -4.810
  232   2HG2  THR  31          2HG2      THR  31 -13.035  17.685  -6.292
  233   3HG2  THR  31          3HG2      THR  31 -14.754  17.348  -6.022
  234    HA   PRO  32           HA       PRO  32 -11.152  13.327  -1.188
  235   1HB   PRO  32          1HB       PRO  32 -13.032  13.253   0.794
  236   2HB   PRO  32          2HB       PRO  32 -11.715  14.458   0.738
  237   1HG   PRO  32          1HG       PRO  32 -14.570  14.811  -0.207
  238   2HG   PRO  32          2HG       PRO  32 -13.618  15.899   0.840
  239   1HD   PRO  32          1HD       PRO  32 -13.857  16.323  -1.840
  240   2HD   PRO  32          2HD       PRO  32 -12.327  16.672  -0.984
  241    H1   NAG 300           H1       NAG   3   5.809 -15.371   2.445
  242    H2   NAG 300           H2       NAG   3   4.653 -14.645   5.159
  243    H3   NAG 300           H3       NAG   3   3.057 -15.705   2.794
  244    H4   NAG 300           H4       NAG   3   3.074 -12.944   4.065
  245    H5   NAG 300           H5       NAG   3   4.132 -13.972   1.386
  246   1H6   NAG 300          1H6       NAG   3   3.127 -11.770   1.046
  247   2H6   NAG 300          2H6       NAG   3   4.896 -11.657   1.010
  248   1H8   NAG 300          1H8       NAG   3   6.063 -19.144   4.686
  249   2H8   NAG 300          2H8       NAG   3   4.347 -19.233   5.161
  250   3H8   NAG 300          3H8       NAG   3   4.864 -19.822   3.568
  251    HN2  NAG 300           HN2      NAG   3   4.943 -16.848   5.591
  252    HO4  NAG 300           HO4      NAG   3   1.636 -12.528   2.309
  253    HO3  NAG 300           HO3      NAG   3   2.319 -16.285   4.918
  254    HO6  NAG 300           HO6      NAG   3   3.935 -10.006   2.279
  255   1HN   NH2  33          1HN       NH2  33 -14.622  13.790  -2.131
  256   2HN   NH2  33          2HN       NH2  33 -14.905  12.110  -2.529
  Start of MODEL    2
    1   1H    CYS   1          1H        CYS   1   2.893 -16.729   8.451
    2   2H    CYS   1          2H        CYS   1   3.324 -15.606   9.581
    3   3H    CYS   1          3H        CYS   1   2.398 -15.164   8.289
    4    HA   CYS   1           HA       CYS   1   4.146 -15.634   6.779
    5   1HB   CYS   1          1HB       CYS   1   4.759 -13.701   9.030
    6   2HB   CYS   1          2HB       CYS   1   5.788 -13.879   7.605
    7    H    SER   2           H        SER   2   5.528 -15.623  10.073
    8    HA   SER   2           HA       SER   2   7.047 -16.867  11.115
    9   1HB   SER   2          1HB       SER   2   7.178 -18.794   8.760
   10   2HB   SER   2          2HB       SER   2   7.756 -19.038  10.409
   11    HG   SER   2           HG       SER   2   5.593 -18.795  11.118
   12    H    ASN   3           H        ASN   3   7.946 -16.689   7.618
   13    HA   ASN   3           HA       ASN   3  10.728 -16.488   8.115
   14   1HB   ASN   3          1HB       ASN   3  10.941 -15.877   5.786
   15   2HB   ASN   3          2HB       ASN   3   9.870 -17.259   6.003
   16   1HD2  ASN   3          1HD2      ASN   3   7.678 -17.080   5.458
   17    H    LEU   4           H        LEU   4   8.255 -13.950   7.576
   18    HA   LEU   4           HA       LEU   4   8.289 -11.704   7.798
   19   1HB   LEU   4          1HB       LEU   4  10.315 -12.291   9.989
   20   2HB   LEU   4          2HB       LEU   4   9.394 -10.796   9.803
   21    HG   LEU   4           HG       LEU   4   8.127 -13.533  10.290
   22   1HD1  LEU   4          1HD1      LEU   4   9.514 -12.831  12.197
   23   2HD1  LEU   4          2HD1      LEU   4   8.692 -11.255  12.228
   24   3HD1  LEU   4          3HD1      LEU   4   7.789 -12.741  12.592
   25   1HD2  LEU   4          1HD2      LEU   4   6.980 -10.703  10.384
   26   2HD2  LEU   4          2HD2      LEU   4   6.574 -11.957   9.194
   27   3HD2  LEU   4          3HD2      LEU   4   6.129 -12.178  10.888
   28    H    SER   5           H        SER   5   9.555 -12.307   5.612
   29    HA   SER   5           HA       SER   5  11.640 -10.257   5.354
   30   1HB   SER   5          1HB       SER   5  12.972 -12.211   5.996
   31   2HB   SER   5          2HB       SER   5  12.183 -13.206   4.760
   32    HG   SER   5           HG       SER   5  13.724 -10.865   4.301
   33    H    THR   6           H        THR   6  10.462 -13.113   3.506
   34    HA   THR   6           HA       THR   6   9.874 -11.676   1.080
   35    HB   THR   6           HB       THR   6   8.861 -14.310   2.205
   36    HG1  THR   6           HG1      THR   6  10.964 -13.718   0.406
   37   1HG2  THR   6          1HG2      THR   6   8.800 -13.247  -0.652
   38   2HG2  THR   6          2HG2      THR   6   8.391 -14.905  -0.162
   39   3HG2  THR   6          3HG2      THR   6   7.385 -13.553   0.382
   40    H    CYS   7           H        CYS   7   8.035 -12.747   3.942
   41    HA   CYS   7           HA       CYS   7   5.468 -11.738   3.398
   42   1HB   CYS   7          1HB       CYS   7   5.832 -13.183   5.224
   43   2HB   CYS   7          2HB       CYS   7   7.118 -12.185   5.886
   44    H    VAL   8           H        VAL   8   8.222 -10.123   5.106
   45    HA   VAL   8           HA       VAL   8   6.904  -7.685   5.599
   46    HB   VAL   8           HB       VAL   8   9.839  -8.427   5.360
   47   1HG1  VAL   8          1HG2      VAL   8   8.628  -5.769   6.229
   48   2HG1  VAL   8          2HG2      VAL   8  10.296  -6.278   6.571
   49   3HG1  VAL   8          3HG2      VAL   8   9.781  -6.046   4.899
   50   1HG2  VAL   8          1HG1      VAL   8   8.478  -9.398   7.241
   51   2HG2  VAL   8          2HG1      VAL   8   9.757  -8.309   7.804
   52   3HG2  VAL   8          3HG1      VAL   8   8.071  -7.754   7.756
   53    H    LEU   9           H        LEU   9   9.134  -8.520   2.896
   54    HA   LEU   9           HA       LEU   9   8.953  -6.104   1.455
   55   1HB   LEU   9          1HB       LEU   9   9.378  -8.978   0.582
   56   2HB   LEU   9          2HB       LEU   9   9.528  -7.613  -0.526
   57    HG   LEU   9           HG       LEU   9  11.171  -7.790   2.035
   58   1HD1  LEU   9          1HD1      LEU   9  11.630  -9.784   0.649
   59   2HD1  LEU   9          2HD1      LEU   9  11.907  -8.744  -0.764
   60   3HD1  LEU   9          3HD1      LEU   9  13.002  -8.664   0.633
   61   1HD2  LEU   9          1HD2      LEU   9  11.532  -6.220  -0.558
   62   2HD2  LEU   9          2HD2      LEU   9  11.063  -5.538   1.013
   63   3HD2  LEU   9          3HD2      LEU   9  12.668  -6.246   0.805
   64    H    GLY  10           H        GLY  10   6.838  -8.988   1.411
   65   1HA   GLY  10          1HA       GLY  10   5.163  -8.284  -0.746
   66   2HA   GLY  10          2HA       GLY  10   4.745  -9.332   0.619
   67    H    LYS  11           H        LYS  11   4.725  -7.735   2.802
   68    HA   LYS  11           HA       LYS  11   2.216  -6.423   2.516
   69   1HB   LYS  11          1HB       LYS  11   4.224  -6.530   4.795
   70   2HB   LYS  11          2HB       LYS  11   2.648  -5.758   4.934
   71   1HG   LYS  11          1HG       LYS  11   3.174  -8.706   4.369
   72   2HG   LYS  11          2HG       LYS  11   2.575  -7.996   5.867
   73   1HD   LYS  11          1HD       LYS  11   1.105  -8.198   3.204
   74   2HD   LYS  11          2HD       LYS  11   0.760  -9.043   4.709
   75   1HE   LYS  11          1HE       LYS  11   0.220  -6.868   5.808
   76   2HE   LYS  11          2HE       LYS  11   0.470  -6.038   4.257
   77   1HZ   LYS  11          1HZ       LYS  11  -1.507  -8.137   4.747
   78   2HZ   LYS  11          2HZ       LYS  11  -1.812  -6.519   4.649
   79   3HZ   LYS  11          3HZ       LYS  11  -1.270  -7.336   3.324
   80    H    LEU  12           H        LEU  12   5.541  -5.038   2.920
   81    HA   LEU  12           HA       LEU  12   4.534  -2.370   3.075
   82   1HB   LEU  12          1HB       LEU  12   6.750  -1.589   2.924
   83   2HB   LEU  12          2HB       LEU  12   6.658  -3.000   3.969
   84    HG   LEU  12           HG       LEU  12   7.426  -4.300   1.778
   85   1HD1  LEU  12          1HD2      LEU  12   8.589  -1.507   1.323
   86   2HD1  LEU  12          2HD2      LEU  12   9.037  -2.981   0.445
   87   3HD1  LEU  12          3HD2      LEU  12   7.425  -2.292   0.247
   88   1HD2  LEU  12          1HD1      LEU  12   8.659  -4.173   3.915
   89   2HD2  LEU  12          2HD1      LEU  12   9.766  -4.010   2.542
   90   3HD2  LEU  12          3HD1      LEU  12   9.285  -2.574   3.470
   91    H    SER  13           H        SER  13   5.468  -4.427   0.302
   92    HA   SER  13           HA       SER  13   5.237  -2.379  -1.689
   93   1HB   SER  13          1HB       SER  13   6.372  -4.511  -2.099
   94   2HB   SER  13          2HB       SER  13   4.844  -5.393  -1.896
   95    HG   SER  13           HG       SER  13   5.333  -4.955  -4.084
   96    H    GLN  14           H        GLN  14   2.927  -4.753  -0.313
   97    HA   GLN  14           HA       GLN  14   0.733  -4.231  -1.968
   98   1HB   GLN  14          1HB       GLN  14   1.023  -6.176  -0.429
   99   2HB   GLN  14          2HB       GLN  14   0.712  -5.104   0.947
  100   1HG   GLN  14          1HG       GLN  14  -1.534  -4.554  -0.182
  101   2HG   GLN  14          2HG       GLN  14  -1.189  -5.877  -1.301
  102   1HE2  GLN  14          2HE2      GLN  14  -0.450  -8.005  -0.059
  103   2HE2  GLN  14          1HE2      GLN  14  -1.436  -8.428   1.324
  104    H    GLU  15           H        GLU  15   1.477  -2.835   1.293
  105    HA   GLU  15           HA       GLU  15  -0.892  -1.271   1.369
  106   1HB   GLU  15          1HB       GLU  15  -0.084  -0.380   3.406
  107   2HB   GLU  15          2HB       GLU  15   0.377  -2.088   3.328
  108   1HG   GLU  15          1HG       GLU  15   2.657  -1.297   2.511
  109   2HG   GLU  15          2HG       GLU  15   2.158   0.351   2.912
  110    H    LEU  16           H        LEU  16   2.448  -0.470   0.309
  111    HA   LEU  16           HA       LEU  16   1.932   2.333  -0.057
  112   1HB   LEU  16          1HB       LEU  16   3.990   0.443  -1.248
  113   2HB   LEU  16          2HB       LEU  16   3.977   2.181  -1.562
  114    HG   LEU  16           HG       LEU  16   4.203   1.000   1.242
  115   1HD1  LEU  16          1HD1      LEU  16   6.149   0.376  -0.189
  116   2HD1  LEU  16          2HD1      LEU  16   6.380   2.087  -0.597
  117   3HD1  LEU  16          3HD1      LEU  16   6.597   1.532   1.077
  118   1HD2  LEU  16          1HD2      LEU  16   4.634   3.817   0.154
  119   2HD2  LEU  16          2HD2      LEU  16   3.370   3.304   1.294
  120   3HD2  LEU  16          3HD2      LEU  16   5.061   3.279   1.791
  121    H    HIS  17           H        HIS  17   1.575  -0.523  -2.195
  122    HA   HIS  17           HA       HIS  17   0.851   0.976  -4.535
  123   1HB   HIS  17          1HB       HIS  17   1.641  -1.322  -4.653
  124   2HB   HIS  17          2HB       HIS  17   0.272  -1.888  -3.688
  125    HD1  HIS  17           HD1      HIS  17  -1.989  -2.221  -4.856
  126    HD2  HIS  17           HD2      HIS  17   0.938  -0.545  -7.346
  127    HE1  HIS  17           HE1      HIS  17  -2.905  -2.247  -7.227
  128    H    LYS  18           H        LYS  18  -1.031  -0.508  -1.874
  129    HA   LYS  18           HA       LYS  18  -3.609  -0.093  -2.959
  130   1HB   LYS  18          1HB       LYS  18  -3.039  -1.697  -1.190
  131   2HB   LYS  18          2HB       LYS  18  -2.715  -0.368  -0.059
  132   1HG   LYS  18          1HG       LYS  18  -5.144   0.368  -0.455
  133   2HG   LYS  18          2HG       LYS  18  -5.369  -1.155  -1.326
  134   1HD   LYS  18          1HD       LYS  18  -4.597  -0.788   1.612
  135   2HD   LYS  18          2HD       LYS  18  -6.160  -1.292   0.967
  136   1HE   LYS  18          1HE       LYS  18  -5.276  -3.311   1.635
  137   2HE   LYS  18          2HE       LYS  18  -4.851  -3.306  -0.084
  138   1HZ   LYS  18          1HZ       LYS  18  -3.102  -2.547   2.161
  139   2HZ   LYS  18          2HZ       LYS  18  -3.050  -3.978   1.345
  140   3HZ   LYS  18          3HZ       LYS  18  -2.651  -2.576   0.577
  141    H    LEU  19           H        LEU  19  -1.936   1.712  -0.318
  142    HA   LEU  19           HA       LEU  19  -3.924   3.802  -0.252
  143   1HB   LEU  19          1HB       LEU  19  -1.130   3.686   0.957
  144   2HB   LEU  19          2HB       LEU  19  -2.401   4.839   1.379
  145    HG   LEU  19           HG       LEU  19  -2.551   1.811   1.789
  146   1HD1  LEU  19          1HD1      LEU  19  -0.871   2.890   3.229
  147   2HD1  LEU  19          2HD1      LEU  19  -2.086   4.066   3.779
  148   3HD1  LEU  19          3HD1      LEU  19  -2.270   2.342   4.170
  149   1HD2  LEU  19          1HD2      LEU  19  -4.433   4.053   2.650
  150   2HD2  LEU  19          2HD2      LEU  19  -4.806   2.730   1.520
  151   3HD2  LEU  19          3HD2      LEU  19  -4.517   2.375   3.225
  152    H    GLN  20           H        GLN  20  -0.446   3.805  -1.137
  153    HA   GLN  20           HA       GLN  20   0.815   5.156  -2.376
  154   1HB   GLN  20          1HB       GLN  20  -0.701   3.891  -4.048
  155   2HB   GLN  20          2HB       GLN  20  -1.571   5.410  -4.252
  156   1HG   GLN  20          1HG       GLN  20   0.044   5.185  -6.016
  157   2HG   GLN  20          2HG       GLN  20   0.629   6.474  -4.965
  158   1HE2  GLN  20          2HE2      GLN  20   2.634   6.205  -3.914
  159   2HE2  GLN  20          1HE2      GLN  20   3.644   4.792  -4.124
  160    H    THR  21           H        THR  21  -0.149   6.465  -0.269
  161    HA   THR  21           HA       THR  21  -0.547   8.424   0.690
  162    HB   THR  21           HB       THR  21   0.545   9.765  -1.811
  163    HG1  THR  21           HG1      THR  21   1.930   8.464   0.288
  164   1HG2  THR  21          1HG2      THR  21   0.804  10.389   1.174
  165   2HG2  THR  21          2HG2      THR  21   1.565  11.293  -0.149
  166   3HG2  THR  21          3HG2      THR  21  -0.194  11.307   0.031
  167    H    TYR  22           H        TYR  22  -2.793   7.370  -0.198
  168    HA   TYR  22           HA       TYR  22  -4.968   7.767  -0.776
  169   1HB   TYR  22          1HB       TYR  22  -5.866   9.616   0.639
  170   2HB   TYR  22          2HB       TYR  22  -4.902   8.385   1.422
  171    HD1  TYR  22           HD1      TYR  22  -2.698   8.830   2.370
  172    HD2  TYR  22           HD2      TYR  22  -5.066  11.985   0.625
  173    HE1  TYR  22           HE1      TYR  22  -1.172  10.518   3.338
  174    HE2  TYR  22           HE2      TYR  22  -3.519  13.663   1.561
  175    HH   TYR  22           HH       TYR  22  -0.683  12.754   3.557
  176    HA   PRO  23           HA       PRO  23  -4.317  10.808  -4.267
  177   1HB   PRO  23          1HB       PRO  23  -5.333   9.241  -6.294
  178   2HB   PRO  23          2HB       PRO  23  -3.631   9.216  -5.756
  179   1HG   PRO  23          1HG       PRO  23  -5.837   7.310  -4.971
  180   2HG   PRO  23          2HG       PRO  23  -4.166   6.925  -5.462
  181   1HD   PRO  23          1HD       PRO  23  -4.922   7.030  -2.856
  182   2HD   PRO  23          2HD       PRO  23  -3.301   7.592  -3.369
  183    H    ARG  24           H        ARG  24  -7.069   8.507  -3.882
  184    HA   ARG  24           HA       ARG  24  -9.062  10.678  -4.008
  185   1HB   ARG  24          1HB       ARG  24  -9.427   8.293  -4.848
  186   2HB   ARG  24          2HB       ARG  24  -9.466   7.780  -3.162
  187   1HG   ARG  24          1HG       ARG  24 -11.327   9.770  -4.553
  188   2HG   ARG  24          2HG       ARG  24 -11.708   8.114  -4.061
  189   1HD   ARG  24          1HD       ARG  24 -11.260   8.840  -1.653
  190   2HD   ARG  24          2HD       ARG  24 -11.184  10.504  -2.258
  191    HE   ARG  24           HE       ARG  24 -13.430  10.575  -2.611
  192   1HH1  ARG  24          1HH2      ARG  24 -12.547   7.220  -1.781
  193   2HH1  ARG  24          2HH2      ARG  24 -14.203   6.753  -1.481
  194   1HH2  ARG  24          1HH1      ARG  24 -15.566   9.919  -2.214
  195   2HH2  ARG  24          2HH1      ARG  24 -15.912   8.274  -1.733
  196    H    THR  25           H        THR  25  -8.684  12.051  -2.304
  197    HA   THR  25           HA       THR  25  -7.426  11.293   0.116
  198    HB   THR  25           HB       THR  25  -8.989  13.800  -0.614
  199    HG1  THR  25           HG1      THR  25  -7.172  13.318  -1.910
  200   1HG2  THR  25          1HG2      THR  25  -7.010  13.270   1.653
  201   2HG2  THR  25          2HG2      THR  25  -7.632  14.864   1.179
  202   3HG2  THR  25          3HG2      THR  25  -8.739  13.650   1.835
  203    H    ASP  26           H        ASP  26 -10.758  12.579  -0.239
  204    HA   ASP  26           HA       ASP  26 -12.688  12.205   0.774
  205   1HB   ASP  26          1HB       ASP  26 -12.269   9.795   0.258
  206   2HB   ASP  26          2HB       ASP  26 -11.589   9.585   1.874
  207    H    VAL  27           H        VAL  27 -13.626  13.012   2.611
  208    HA   VAL  27           HA       VAL  27 -11.916  13.768   4.847
  209    HB   VAL  27           HB       VAL  27 -14.917  14.081   4.425
  210   1HG1  VAL  27          1HG1      VAL  27 -13.023  15.295   6.493
  211   2HG1  VAL  27          2HG1      VAL  27 -14.714  15.773   6.243
  212   3HG1  VAL  27          3HG1      VAL  27 -14.339  14.150   6.831
  213   1HG2  VAL  27          1HG2      VAL  27 -12.613  16.043   4.063
  214   2HG2  VAL  27          2HG2      VAL  27 -13.600  15.343   2.762
  215   3HG2  VAL  27          3HG2      VAL  27 -14.340  16.432   3.943
  216    H    GLY  28           H        GLY  28 -15.089  12.069   4.915
  217   1HA   GLY  28          1HA       GLY  28 -15.792  10.207   6.029
  218   2HA   GLY  28          2HA       GLY  28 -14.112   9.735   6.325
  219    H    ALA  29           H        ALA  29 -12.943  10.964   8.013
  220    HA   ALA  29           HA       ALA  29 -14.434  12.562   9.951
  221   1HB   ALA  29          1HB       ALA  29 -13.160   9.905  10.757
  222   2HB   ALA  29          2HB       ALA  29 -13.784  11.141  11.875
  223   3HB   ALA  29          3HB       ALA  29 -14.893  10.288  10.787
  224    H    GLY  30           H        GLY  30 -12.840  13.789   8.494
  225   1HA   GLY  30          1HA       GLY  30 -10.999  15.197   8.675
  226   2HA   GLY  30          2HA       GLY  30 -10.248  14.146   9.883
  227    H    THR  31           H        THR  31  -9.532  15.277   7.024
  228    HA   THR  31           HA       THR  31  -9.356  13.102   5.257
  229    HB   THR  31           HB       THR  31  -7.717  14.577   4.028
  230    HG1  THR  31           HG1      THR  31  -7.398  16.644   4.913
  231   1HG2  THR  31          1HG2      THR  31 -10.139  14.814   3.637
  232   2HG2  THR  31          2HG2      THR  31 -10.256  15.967   4.988
  233   3HG2  THR  31          3HG2      THR  31  -9.313  16.378   3.543
  234    HA   PRO  32           HA       PRO  32  -5.649  11.052   6.809
  235   1HB   PRO  32          1HB       PRO  32  -4.958   9.522   4.662
  236   2HB   PRO  32          2HB       PRO  32  -6.449   9.221   5.600
  237   1HG   PRO  32          1HG       PRO  32  -6.192  10.818   3.035
  238   2HG   PRO  32          2HG       PRO  32  -7.324   9.475   3.372
  239   1HD   PRO  32          1HD       PRO  32  -8.039  12.085   3.650
  240   2HD   PRO  32          2HD       PRO  32  -8.628  10.849   4.805
  241    H1   NAG 300           H1       NAG   3   7.136 -14.818   3.566
  242    H2   NAG 300           H2       NAG   3   6.740 -17.830   3.209
  243    H3   NAG 300           H3       NAG   3   6.366 -15.501   1.288
  244    H4   NAG 300           H4       NAG   3   4.370 -17.400   2.577
  245    H5   NAG 300           H5       NAG   3   4.858 -14.416   3.035
  246   1H6   NAG 300          1H6       NAG   3   2.464 -15.055   3.241
  247   2H6   NAG 300          2H6       NAG   3   3.180 -14.591   4.789
  248   1H8   NAG 300          1H8       NAG   3  10.622 -17.698   1.047
  249   2H8   NAG 300          2H8       NAG   3  11.164 -16.716   2.429
  250   3H8   NAG 300          3H8       NAG   3  11.334 -18.484   2.473
  251    HN2  NAG 300           HN2      NAG   3   8.659 -16.246   1.600
  252    HO4  NAG 300           HO4      NAG   3   2.870 -16.026   1.507
  253    HO3  NAG 300           HO3      NAG   3   5.918 -18.322   1.018
  254    HO6  NAG 300           HO6      NAG   3   2.766 -17.240   3.854
  255   1HN   NH2  33          1HN       NH2  33  -3.279  10.878   6.264
  256   2HN   NH2  33          2HN       NH2  33  -2.543  12.173   5.343
  Start of MODEL    3
    1   1H    CYS   1          1H        CYS   1   4.729 -15.884   5.987
    2   2H    CYS   1          2H        CYS   1   3.373 -15.802   6.922
    3   3H    CYS   1          3H        CYS   1   3.819 -14.509   6.003
    4    HA   CYS   1           HA       CYS   1   5.813 -14.224   7.271
    5   1HB   CYS   1          1HB       CYS   1   3.102 -13.984   8.457
    6   2HB   CYS   1          2HB       CYS   1   4.452 -13.882   9.581
    7    H    SER   2           H        SER   2   7.256 -15.737   7.445
    8    HA   SER   2           HA       SER   2   7.318 -17.403   9.852
    9   1HB   SER   2          1HB       SER   2   7.893 -19.446   8.524
   10   2HB   SER   2          2HB       SER   2   6.210 -18.927   8.327
   11    HG   SER   2           HG       SER   2   7.178 -19.431   6.338
   12    H    ASN   3           H        ASN   3   8.880 -16.615   6.707
   13    HA   ASN   3           HA       ASN   3  11.593 -16.507   7.692
   14   1HB   ASN   3          1HB       ASN   3  10.216 -15.025   5.406
   15   2HB   ASN   3          2HB       ASN   3  11.962 -15.106   5.675
   16   1HD2  ASN   3          1HD2      ASN   3   9.918 -16.133   3.560
   17    H    LEU   4           H        LEU   4   8.850 -14.242   7.474
   18    HA   LEU   4           HA       LEU   4   8.474 -12.140   8.145
   19   1HB   LEU   4          1HB       LEU   4  10.695 -12.487  10.200
   20   2HB   LEU   4          2HB       LEU   4   9.375 -11.317  10.219
   21    HG   LEU   4           HG       LEU   4   9.099 -14.346  10.502
   22   1HD1  LEU   4          1HD1      LEU   4  10.083 -13.223  12.463
   23   2HD1  LEU   4          2HD1      LEU   4   8.715 -12.089  12.508
   24   3HD1  LEU   4          3HD1      LEU   4   8.450 -13.821  12.808
   25   1HD2  LEU   4          1HD2      LEU   4   6.976 -12.154  10.590
   26   2HD2  LEU   4          2HD2      LEU   4   7.100 -13.459   9.389
   27   3HD2  LEU   4          3HD2      LEU   4   6.724 -13.846  11.070
   28    H    SER   5           H        SER   5   9.696 -12.322   5.897
   29    HA   SER   5           HA       SER   5  11.404  -9.965   5.681
   30   1HB   SER   5          1HB       SER   5  13.071 -11.700   6.230
   31   2HB   SER   5          2HB       SER   5  12.455 -12.736   4.929
   32    HG   SER   5           HG       SER   5  13.031 -11.074   3.465
   33    H    THR   6           H        THR   6  10.444 -12.968   3.918
   34    HA   THR   6           HA       THR   6   9.849 -11.652   1.435
   35    HB   THR   6           HB       THR   6   8.698 -13.790   0.901
   36    HG1  THR   6           HG1      THR   6   7.947 -14.333   2.961
   37   1HG2  THR   6          1HG2      THR   6  11.183 -13.515   0.626
   38   2HG2  THR   6          2HG2      THR   6  11.402 -14.275   2.222
   39   3HG2  THR   6          3HG2      THR   6  10.659 -15.182   0.892
   40    H    CYS   7           H        CYS   7   7.899 -12.693   4.244
   41    HA   CYS   7           HA       CYS   7   5.351 -11.827   3.350
   42   1HB   CYS   7          1HB       CYS   7   5.740 -13.348   5.206
   43   2HB   CYS   7          2HB       CYS   7   6.537 -12.068   6.134
   44    H    VAL   8           H        VAL   8   7.894 -10.183   5.297
   45    HA   VAL   8           HA       VAL   8   6.512  -7.786   5.812
   46    HB   VAL   8           HB       VAL   8   9.488  -8.376   5.570
   47   1HG1  VAL   8          1HG2      VAL   8   8.069  -5.931   6.709
   48   2HG1  VAL   8          2HG2      VAL   8   9.780  -6.327   6.977
   49   3HG1  VAL   8          3HG2      VAL   8   9.212  -5.969   5.345
   50   1HG2  VAL   8          1HG1      VAL   8   8.281  -9.658   7.341
   51   2HG2  VAL   8          2HG1      VAL   8   9.388  -8.464   8.032
   52   3HG2  VAL   8          3HG1      VAL   8   7.644  -8.137   7.991
   53    H    LEU   9           H        LEU   9   8.698  -8.646   3.089
   54    HA   LEU   9           HA       LEU   9   8.614  -6.224   1.675
   55   1HB   LEU   9          1HB       LEU   9   9.997  -8.404   1.364
   56   2HB   LEU   9          2HB       LEU   9   8.677  -8.943   0.328
   57    HG   LEU   9           HG       LEU   9  10.409  -6.450   0.000
   58   1HD1  LEU   9          1HD1      LEU   9  11.580  -8.588  -0.417
   59   2HD1  LEU   9          2HD1      LEU   9  10.319  -9.055  -1.579
   60   3HD1  LEU   9          3HD1      LEU   9  11.373  -7.664  -1.915
   61   1HD2  LEU   9          1HD2      LEU   9   8.153  -7.518  -1.751
   62   2HD2  LEU   9          2HD2      LEU   9   8.317  -5.893  -1.034
   63   3HD2  LEU   9          3HD2      LEU   9   9.392  -6.388  -2.335
   64    H    GLY  10           H        GLY  10   6.483  -9.126   1.460
   65   1HA   GLY  10          1HA       GLY  10   4.692  -8.305  -0.515
   66   2HA   GLY  10          2HA       GLY  10   4.322  -9.395   0.830
   67    H    LYS  11           H        LYS  11   4.520  -7.728   3.044
   68    HA   LYS  11           HA       LYS  11   1.963  -6.489   3.022
   69   1HB   LYS  11          1HB       LYS  11   4.265  -6.420   5.004
   70   2HB   LYS  11          2HB       LYS  11   2.698  -5.673   5.324
   71   1HG   LYS  11          1HG       LYS  11   3.002  -8.632   4.652
   72   2HG   LYS  11          2HG       LYS  11   3.052  -7.980   6.295
   73   1HD   LYS  11          1HD       LYS  11   0.774  -7.034   5.987
   74   2HD   LYS  11          2HD       LYS  11   0.703  -7.749   4.362
   75   1HE   LYS  11          1HE       LYS  11   1.015 -10.006   5.336
   76   2HE   LYS  11          2HE       LYS  11   1.062  -9.296   6.963
   77   1HZ   LYS  11          1HZ       LYS  11  -1.197  -9.155   5.097
   78   2HZ   LYS  11          2HZ       LYS  11  -1.092 -10.133   6.422
   79   3HZ   LYS  11          3HZ       LYS  11  -1.154  -8.495   6.608
   80    H    LEU  12           H        LEU  12   5.266  -4.986   3.186
   81    HA   LEU  12           HA       LEU  12   4.185  -2.342   3.171
   82   1HB   LEU  12          1HB       LEU  12   6.416  -1.537   2.997
   83   2HB   LEU  12          2HB       LEU  12   6.299  -2.863   4.147
   84    HG   LEU  12           HG       LEU  12   7.120  -4.331   2.088
   85   1HD1  LEU  12          1HD1      LEU  12   8.286  -1.585   1.428
   86   2HD1  LEU  12          2HD1      LEU  12   8.767  -3.127   0.694
   87   3HD1  LEU  12          3HD1      LEU  12   7.156  -2.474   0.395
   88   1HD2  LEU  12          1HD2      LEU  12   8.297  -4.040   4.235
   89   2HD2  LEU  12          2HD2      LEU  12   9.430  -4.011   2.874
   90   3HD2  LEU  12          3HD2      LEU  12   8.958  -2.493   3.670
   91    H    SER  13           H        SER  13   5.079  -4.553   0.543
   92    HA   SER  13           HA       SER  13   5.020  -2.603  -1.564
   93   1HB   SER  13          1HB       SER  13   6.123  -4.770  -1.816
   94   2HB   SER  13          2HB       SER  13   4.573  -5.617  -1.613
   95    HG   SER  13           HG       SER  13   5.214  -3.749  -3.653
   96    H    GLN  14           H        GLN  14   2.589  -4.885  -0.221
   97    HA   GLN  14           HA       GLN  14   0.422  -4.224  -1.911
   98   1HB   GLN  14          1HB       GLN  14   0.514  -6.218  -0.505
   99   2HB   GLN  14          2HB       GLN  14   0.486  -5.227   0.964
  100   1HG   GLN  14          1HG       GLN  14  -1.786  -4.419   0.383
  101   2HG   GLN  14          2HG       GLN  14  -1.724  -5.334  -1.134
  102   1HE2  GLN  14          2HE2      GLN  14  -1.281  -5.821   2.429
  103   2HE2  GLN  14          1HE2      GLN  14  -2.096  -7.369   2.488
  104    H    GLU  15           H        GLU  15   1.430  -2.898   1.270
  105    HA   GLU  15           HA       GLU  15  -0.674  -1.057   1.646
  106   1HB   GLU  15          1HB       GLU  15   0.820  -1.758   3.418
  107   2HB   GLU  15          2HB       GLU  15   2.218  -1.047   2.594
  108   1HG   GLU  15          1HG       GLU  15   1.319   1.202   2.883
  109   2HG   GLU  15          2HG       GLU  15  -0.191   0.553   3.548
  110    H    LEU  16           H        LEU  16   2.603  -0.581   0.212
  111    HA   LEU  16           HA       LEU  16   2.360   2.148  -0.339
  112   1HB   LEU  16          1HB       LEU  16   4.483   0.974  -0.303
  113   2HB   LEU  16          2HB       LEU  16   3.992  -0.053  -1.657
  114    HG   LEU  16           HG       LEU  16   3.966   1.899  -3.162
  115   1HD1  LEU  16          1HD1      LEU  16   4.955   3.444  -0.718
  116   2HD1  LEU  16          2HD1      LEU  16   4.986   4.049  -2.387
  117   3HD1  LEU  16          3HD1      LEU  16   3.438   3.729  -1.601
  118   1HD2  LEU  16          1HD2      LEU  16   6.006   0.541  -2.902
  119   2HD2  LEU  16          2HD2      LEU  16   6.401   2.237  -3.235
  120   3HD2  LEU  16          3HD2      LEU  16   6.553   1.600  -1.583
  121    H    HIS  17           H        HIS  17   1.663  -0.705  -2.423
  122    HA   HIS  17           HA       HIS  17   0.876   0.684  -4.754
  123   1HB   HIS  17          1HB       HIS  17   1.373  -1.694  -4.737
  124   2HB   HIS  17          2HB       HIS  17   0.019  -2.017  -3.646
  125    HD1  HIS  17           HD1      HIS  17  -2.385  -1.994  -4.631
  126    HD2  HIS  17           HD2      HIS  17   0.610  -1.175  -7.447
  127    HE1  HIS  17           HE1      HIS  17  -3.457  -2.105  -6.934
  128    H    LYS  18           H        LYS  18  -1.071  -0.508  -1.974
  129    HA   LYS  18           HA       LYS  18  -3.607   0.157  -2.922
  130   1HB   LYS  18          1HB       LYS  18  -3.216  -1.304  -1.026
  131   2HB   LYS  18          2HB       LYS  18  -2.543   0.038  -0.081
  132   1HG   LYS  18          1HG       LYS  18  -4.731   1.167  -0.066
  133   2HG   LYS  18          2HG       LYS  18  -5.391  -0.055  -1.160
  134   1HD   LYS  18          1HD       LYS  18  -6.092  -0.426   1.170
  135   2HD   LYS  18          2HD       LYS  18  -5.172  -1.790   0.524
  136   1HE   LYS  18          1HE       LYS  18  -4.578  -1.236   2.871
  137   2HE   LYS  18          2HE       LYS  18  -3.189  -1.132   1.786
  138   1HZ   LYS  18          1HZ       LYS  18  -4.796   1.137   2.734
  139   2HZ   LYS  18          2HZ       LYS  18  -3.303   0.709   3.291
  140   3HZ   LYS  18          3HZ       LYS  18  -3.482   1.238   1.741
  141    H    LEU  19           H        LEU  19  -1.488   2.144  -0.741
  142    HA   LEU  19           HA       LEU  19  -3.333   4.340  -0.765
  143   1HB   LEU  19          1HB       LEU  19  -1.743   5.536   0.543
  144   2HB   LEU  19          2HB       LEU  19  -1.913   3.876   1.098
  145    HG   LEU  19           HG       LEU  19   0.250   3.470  -0.404
  146   1HD1  LEU  19          1HD1      LEU  19   0.511   6.420   0.343
  147   2HD1  LEU  19          2HD1      LEU  19   1.809   5.389  -0.287
  148   3HD1  LEU  19          3HD1      LEU  19   0.433   5.795  -1.313
  149   1HD2  LEU  19          1HD2      LEU  19   0.069   3.115   2.032
  150   2HD2  LEU  19          2HD2      LEU  19   1.620   3.854   1.601
  151   3HD2  LEU  19          3HD2      LEU  19   0.328   4.849   2.307
  152    H    GLN  20           H        GLN  20  -0.636   3.464  -2.896
  153    HA   GLN  20           HA       GLN  20  -0.284   6.060  -4.037
  154   1HB   GLN  20          1HB       GLN  20   1.416   4.339  -4.237
  155   2HB   GLN  20          2HB       GLN  20   0.307   3.276  -5.116
  156   1HG   GLN  20          1HG       GLN  20   1.875   4.314  -6.638
  157   2HG   GLN  20          2HG       GLN  20   0.249   4.881  -7.005
  158   1HE2  GLN  20          2HE2      GLN  20  -0.313   7.103  -6.494
  159   2HE2  GLN  20          1HE2      GLN  20   0.932   8.300  -6.202
  160    H    THR  21           H        THR  21  -2.121   3.162  -5.160
  161    HA   THR  21           HA       THR  21  -3.315   4.482  -7.404
  162    HB   THR  21           HB       THR  21  -4.783   2.468  -7.451
  163    HG1  THR  21           HG1      THR  21  -4.857   2.075  -5.210
  164   1HG2  THR  21          1HG2      THR  21  -2.572   2.460  -8.562
  165   2HG2  THR  21          2HG2      THR  21  -1.820   1.841  -7.076
  166   3HG2  THR  21          3HG2      THR  21  -3.016   0.859  -7.944
  167    H    TYR  22           H        TYR  22  -4.416   3.828  -4.070
  168    HA   TYR  22           HA       TYR  22  -6.748   5.656  -4.436
  169   1HB   TYR  22          1HB       TYR  22  -7.387   3.308  -4.788
  170   2HB   TYR  22          2HB       TYR  22  -6.792   2.895  -3.190
  171    HD1  TYR  22           HD1      TYR  22  -8.172   3.337  -1.221
  172    HD2  TYR  22           HD2      TYR  22  -9.342   4.841  -5.092
  173    HE1  TYR  22           HE1      TYR  22 -10.408   3.892  -0.330
  174    HE2  TYR  22           HE2      TYR  22 -11.609   5.319  -4.214
  175    HH   TYR  22           HH       TYR  22 -12.512   4.687  -0.799
  176    HA   PRO  23           HA       PRO  23  -4.389   6.658  -0.539
  177   1HB   PRO  23          1HB       PRO  23  -4.501   9.385  -0.748
  178   2HB   PRO  23          2HB       PRO  23  -3.250   8.394  -1.545
  179   1HG   PRO  23          1HG       PRO  23  -5.781   9.503  -2.752
  180   2HG   PRO  23          2HG       PRO  23  -4.135   9.531  -3.438
  181   1HD   PRO  23          1HD       PRO  23  -5.997   7.680  -4.163
  182   2HD   PRO  23          2HD       PRO  23  -4.264   7.256  -4.069
  183    H    ARG  24           H        ARG  24  -7.337   8.049  -2.012
  184    HA   ARG  24           HA       ARG  24  -8.914   7.439   0.353
  185   1HB   ARG  24          1HB       ARG  24  -9.721   9.722   0.706
  186   2HB   ARG  24          2HB       ARG  24  -7.974   9.645   0.929
  187   1HG   ARG  24          1HG       ARG  24  -7.637  10.578  -1.365
  188   2HG   ARG  24          2HG       ARG  24  -9.394  10.635  -1.588
  189   1HD   ARG  24          1HD       ARG  24  -8.600  12.823  -1.023
  190   2HD   ARG  24          2HD       ARG  24  -9.593  12.224   0.302
  191    HE   ARG  24           HE       ARG  24  -6.643  12.623   0.210
  192   1HH1  ARG  24          1HH2      ARG  24  -9.422  11.599   2.211
  193   2HH1  ARG  24          2HH2      ARG  24  -8.521  11.750   3.699
  194   1HH2  ARG  24          1HH1      ARG  24  -5.526  12.786   2.166
  195   2HH2  ARG  24          2HH1      ARG  24  -6.322  12.409   3.677
  196    H    THR  25           H        THR  25 -11.241   8.705  -0.293
  197    HA   THR  25           HA       THR  25 -12.192   7.348  -2.641
  198    HB   THR  25           HB       THR  25 -13.459   9.548  -0.959
  199    HG1  THR  25           HG1      THR  25 -12.939   7.654   0.190
  200   1HG2  THR  25          1HG2      THR  25 -14.671   7.542  -2.921
  201   2HG2  THR  25          2HG2      THR  25 -15.587   8.628  -1.856
  202   3HG2  THR  25          3HG2      THR  25 -14.588   9.303  -3.154
  203    H    ASP  26           H        ASP  26 -11.460   7.923  -4.590
  204    HA   ASP  26           HA       ASP  26 -11.538  10.779  -5.438
  205   1HB   ASP  26          1HB       ASP  26  -9.318   8.766  -6.005
  206   2HB   ASP  26          2HB       ASP  26  -9.430  10.401  -6.672
  207    H    VAL  27           H        VAL  27 -11.726  11.042  -7.731
  208    HA   VAL  27           HA       VAL  27 -12.406   8.776  -9.414
  209    HB   VAL  27           HB       VAL  27 -14.503   9.099  -8.165
  210   1HG1  VAL  27          1HG1      VAL  27 -14.303  11.515  -7.615
  211   2HG1  VAL  27          2HG1      VAL  27 -14.580  11.920  -9.323
  212   3HG1  VAL  27          3HG1      VAL  27 -15.849  11.122  -8.379
  213   1HG2  VAL  27          1HG2      VAL  27 -14.547   8.380 -10.549
  214   2HG2  VAL  27          2HG2      VAL  27 -16.015   9.229 -10.031
  215   3HG2  VAL  27          3HG2      VAL  27 -14.818  10.071 -11.030
  216    H    GLY  28           H        GLY  28 -12.396   9.329 -11.622
  217   1HA   GLY  28          1HA       GLY  28 -12.211  12.019 -12.609
  218   2HA   GLY  28          2HA       GLY  28 -10.596  11.302 -12.426
  219    H    ALA  29           H        ALA  29 -13.845  10.694 -13.812
  220    HA   ALA  29           HA       ALA  29 -12.682   9.701 -16.305
  221   1HB   ALA  29          1HB       ALA  29 -12.748   7.641 -14.932
  222   2HB   ALA  29          2HB       ALA  29 -14.464   7.929 -14.574
  223   3HB   ALA  29          3HB       ALA  29 -13.949   7.571 -16.235
  224    H    GLY  30           H        GLY  30 -14.304   9.467 -17.977
  225   1HA   GLY  30          1HA       GLY  30 -16.258  11.543 -18.030
  226   2HA   GLY  30          2HA       GLY  30 -16.061  10.231 -19.206
  227    H    THR  31           H        THR  31 -16.515   7.969 -17.782
  228    HA   THR  31           HA       THR  31 -19.155   8.220 -16.412
  229    HB   THR  31           HB       THR  31 -18.454   6.203 -18.575
  230    HG1  THR  31           HG1      THR  31 -20.252   8.391 -18.515
  231   1HG2  THR  31          1HG2      THR  31 -21.013   6.674 -16.968
  232   2HG2  THR  31          2HG2      THR  31 -20.837   5.552 -18.332
  233   3HG2  THR  31          3HG2      THR  31 -19.955   5.254 -16.826
  234    HA   PRO  32           HA       PRO  32 -15.998   6.104 -13.795
  235   1HB   PRO  32          1HB       PRO  32 -18.145   6.876 -11.809
  236   2HB   PRO  32          2HB       PRO  32 -16.369   6.902 -11.597
  237   1HG   PRO  32          1HG       PRO  32 -17.689   9.206 -12.121
  238   2HG   PRO  32          2HG       PRO  32 -16.184   8.841 -13.019
  239   1HD   PRO  32          1HD       PRO  32 -19.043   8.433 -13.937
  240   2HD   PRO  32          2HD       PRO  32 -17.671   9.178 -14.807
  241    H1   NAG 300           H1       NAG   3  11.348 -18.683   3.042
  242    H2   NAG 300           H2       NAG   3   8.317 -18.272   3.031
  243    H3   NAG 300           H3       NAG   3   9.930 -20.708   2.166
  244    H4   NAG 300           H4       NAG   3   8.269 -18.744   0.550
  245    H5   NAG 300           H5       NAG   3  11.289 -19.216   0.686
  246   1H6   NAG 300          1H6       NAG   3   9.660 -17.224  -0.955
  247   2H6   NAG 300          2H6       NAG   3  10.527 -18.638  -1.602
  248   1H8   NAG 300          1H8       NAG   3   9.981 -19.938   7.080
  249   2H8   NAG 300          2H8       NAG   3   8.841 -21.200   6.552
  250   3H8   NAG 300          3H8       NAG   3  10.573 -21.568   6.697
  251    HN2  NAG 300           HN2      NAG   3   8.424 -19.189   5.092
  252    HO4  NAG 300           HO4      NAG   3   9.880 -21.005  -0.176
  253    HO3  NAG 300           HO3      NAG   3   7.854 -21.152   3.115
  254    HO6  NAG 300           HO6      NAG   3  12.454 -17.714  -0.769
  255   1HN   NH2  33          1HN       NH2  33 -17.399   2.962 -12.858
  256   2HN   NH2  33          2HN       NH2  33 -16.014   4.030 -12.775
  Start of MODEL    4
    1   1H    CYS   1          1H        CYS   1   2.346 -16.309   7.587
    2   2H    CYS   1          2H        CYS   1   2.490 -15.631   6.089
    3   3H    CYS   1          3H        CYS   1   3.349 -16.987   6.465
    4    HA   CYS   1           HA       CYS   1   4.768 -15.124   6.469
    5   1HB   CYS   1          1HB       CYS   1   2.948 -13.496   6.974
    6   2HB   CYS   1          2HB       CYS   1   2.934 -14.061   8.643
    7    H    SER   2           H        SER   2   6.605 -15.819   7.448
    8    HA   SER   2           HA       SER   2   6.592 -16.760  10.254
    9   1HB   SER   2          1HB       SER   2   7.394 -18.509   7.882
   10   2HB   SER   2          2HB       SER   2   7.726 -18.875   9.588
   11    HG   SER   2           HG       SER   2   5.828 -19.877   8.817
   12    H    ASN   3           H        ASN   3   8.644 -16.753   7.312
   13    HA   ASN   3           HA       ASN   3  11.089 -16.372   8.677
   14   1HB   ASN   3          1HB       ASN   3  11.960 -15.779   6.382
   15   2HB   ASN   3          2HB       ASN   3  11.152 -17.339   6.537
   16   1HD2  ASN   3          1HD2      ASN   3   9.317 -17.776   5.421
   17    H    LEU   4           H        LEU   4   8.706 -13.997   7.603
   18    HA   LEU   4           HA       LEU   4   8.614 -11.756   7.691
   19   1HB   LEU   4          1HB       LEU   4  10.565 -12.167   9.986
   20   2HB   LEU   4          2HB       LEU   4   9.816 -10.619   9.610
   21    HG   LEU   4           HG       LEU   4   8.081 -13.065  10.067
   22   1HD1  LEU   4          1HD1      LEU   4   9.188 -11.183  12.190
   23   2HD1  LEU   4          2HD1      LEU   4   7.917 -12.400  12.440
   24   3HD1  LEU   4          3HD1      LEU   4   9.560 -12.913  12.020
   25   1HD2  LEU   4          1HD2      LEU   4   7.057 -10.969   9.118
   26   2HD2  LEU   4          2HD2      LEU   4   6.435 -11.367  10.728
   27   3HD2  LEU   4          3HD2      LEU   4   7.638 -10.077  10.534
   28    H    SER   5           H        SER   5   9.774 -12.321   5.552
   29    HA   SER   5           HA       SER   5  11.846 -10.280   5.160
   30   1HB   SER   5          1HB       SER   5  13.207 -12.255   5.672
   31   2HB   SER   5          2HB       SER   5  12.322 -13.223   4.480
   32    HG   SER   5           HG       SER   5  13.838 -10.883   3.947
   33    H    THR   6           H        THR   6  10.476 -13.106   3.386
   34    HA   THR   6           HA       THR   6   9.750 -11.562   1.050
   35    HB   THR   6           HB       THR   6   8.871 -14.293   2.046
   36    HG1  THR   6           HG1      THR   6  10.862 -13.480   0.193
   37   1HG2  THR   6          1HG2      THR   6   8.616 -12.999  -0.702
   38   2HG2  THR   6          2HG2      THR   6   8.368 -14.725  -0.373
   39   3HG2  THR   6          3HG2      THR   6   7.285 -13.528   0.358
   40    H    CYS   7           H        CYS   7   8.107 -12.725   4.003
   41    HA   CYS   7           HA       CYS   7   5.485 -11.780   3.511
   42   1HB   CYS   7          1HB       CYS   7   5.918 -13.279   5.312
   43   2HB   CYS   7          2HB       CYS   7   7.126 -12.205   6.019
   44    H    VAL   8           H        VAL   8   8.315 -10.158   5.060
   45    HA   VAL   8           HA       VAL   8   6.984  -7.731   5.676
   46    HB   VAL   8           HB       VAL   8   9.913  -8.448   5.307
   47   1HG1  VAL   8          1HG1      VAL   8   8.707  -5.825   6.285
   48   2HG1  VAL   8          2HG1      VAL   8  10.398  -6.313   6.525
   49   3HG1  VAL   8          3HG1      VAL   8   9.788  -6.052   4.889
   50   1HG2  VAL   8          1HG2      VAL   8   8.654  -9.469   7.228
   51   2HG2  VAL   8          2HG2      VAL   8   9.935  -8.366   7.755
   52   3HG2  VAL   8          3HG2      VAL   8   8.239  -7.842   7.788
   53    H    LEU   9           H        LEU   9   9.105  -8.561   2.880
   54    HA   LEU   9           HA       LEU   9   8.896  -6.098   1.518
   55   1HB   LEU   9          1HB       LEU   9   9.337  -8.943   0.560
   56   2HB   LEU   9          2HB       LEU   9   9.441  -7.553  -0.523
   57    HG   LEU   9           HG       LEU   9  11.143  -7.753   1.997
   58   1HD1  LEU   9          1HD1      LEU   9  11.605  -9.708   0.552
   59   2HD1  LEU   9          2HD1      LEU   9  11.835  -8.630  -0.840
   60   3HD1  LEU   9          3HD1      LEU   9  12.957  -8.564   0.536
   61   1HD2  LEU   9          1HD2      LEU   9  11.412  -6.117  -0.566
   62   2HD2  LEU   9          2HD2      LEU   9  10.976  -5.482   1.034
   63   3HD2  LEU   9          3HD2      LEU   9  12.585  -6.157   0.765
   64    H    GLY  10           H        GLY  10   6.834  -9.027   1.325
   65   1HA   GLY  10          1HA       GLY  10   5.091  -8.172  -0.734
   66   2HA   GLY  10          2HA       GLY  10   4.734  -9.356   0.534
   67    H    LYS  11           H        LYS  11   4.927  -7.785   2.840
   68    HA   LYS  11           HA       LYS  11   2.333  -6.683   2.922
   69   1HB   LYS  11          1HB       LYS  11   3.452  -7.736   4.857
   70   2HB   LYS  11          2HB       LYS  11   4.652  -6.453   4.879
   71   1HG   LYS  11          1HG       LYS  11   2.976  -6.129   6.619
   72   2HG   LYS  11          2HG       LYS  11   2.999  -4.790   5.479
   73   1HD   LYS  11          1HD       LYS  11   0.752  -5.305   6.127
   74   2HD   LYS  11          2HD       LYS  11   0.917  -5.638   4.408
   75   1HE   LYS  11          1HE       LYS  11   1.189  -7.837   6.511
   76   2HE   LYS  11          2HE       LYS  11  -0.391  -7.295   5.925
   77   1HZ   LYS  11          1HZ       LYS  11   0.252  -7.843   3.720
   78   2HZ   LYS  11          2HZ       LYS  11   1.718  -8.397   4.227
   79   3HZ   LYS  11          3HZ       LYS  11   0.341  -9.158   4.710
   80    H    LEU  12           H        LEU  12   5.555  -5.021   3.082
   81    HA   LEU  12           HA       LEU  12   4.373  -2.424   3.165
   82   1HB   LEU  12          1HB       LEU  12   6.571  -1.533   2.965
   83   2HB   LEU  12          2HB       LEU  12   6.528  -2.892   4.081
   84    HG   LEU  12           HG       LEU  12   7.336  -4.263   1.927
   85   1HD1  LEU  12          1HD1      LEU  12   7.311  -2.289   0.358
   86   2HD1  LEU  12          2HD1      LEU  12   8.460  -1.465   1.422
   87   3HD1  LEU  12          3HD1      LEU  12   8.932  -2.953   0.579
   88   1HD2  LEU  12          1HD2      LEU  12   8.532  -4.077   4.075
   89   2HD2  LEU  12          2HD2      LEU  12   9.653  -3.933   2.711
   90   3HD2  LEU  12          3HD2      LEU  12   9.149  -2.481   3.604
   91    H    SER  13           H        SER  13   5.420  -4.491   0.441
   92    HA   SER  13           HA       SER  13   5.210  -2.512  -1.597
   93   1HB   SER  13          1HB       SER  13   6.332  -4.647  -1.960
   94   2HB   SER  13          2HB       SER  13   4.806  -5.530  -1.723
   95    HG   SER  13           HG       SER  13   5.336  -3.595  -3.732
   96    H    GLN  14           H        GLN  14   2.832  -4.881  -0.290
   97    HA   GLN  14           HA       GLN  14   0.647  -4.137  -1.922
   98   1HB   GLN  14          1HB       GLN  14   0.769  -6.215  -0.625
   99   2HB   GLN  14          2HB       GLN  14   0.656  -5.303   0.892
  100   1HG   GLN  14          1HG       GLN  14  -1.582  -4.462   0.226
  101   2HG   GLN  14          2HG       GLN  14  -1.458  -5.329  -1.314
  102   1HE2  GLN  14          2HE2      GLN  14  -1.081  -7.775  -1.111
  103   2HE2  GLN  14          1HE2      GLN  14  -1.947  -8.598   0.168
  104    H    GLU  15           H        GLU  15   1.636  -2.992   1.354
  105    HA   GLU  15           HA       GLU  15  -0.490  -1.263   1.883
  106   1HB   GLU  15          1HB       GLU  15   1.168  -1.910   3.532
  107   2HB   GLU  15          2HB       GLU  15   2.449  -1.062   2.650
  108   1HG   GLU  15          1HG       GLU  15   1.375   1.100   3.070
  109   2HG   GLU  15          2HG       GLU  15  -0.006   0.295   3.836
  110    H    LEU  16           H        LEU  16   2.677  -0.445   0.370
  111    HA   LEU  16           HA       LEU  16   2.105   2.256  -0.182
  112   1HB   LEU  16          1HB       LEU  16   3.973   0.255  -1.496
  113   2HB   LEU  16          2HB       LEU  16   3.974   1.973  -1.905
  114    HG   LEU  16           HG       LEU  16   4.408   0.990   0.949
  115   1HD1  LEU  16          1HD1      LEU  16   6.148   0.034  -0.531
  116   2HD1  LEU  16          2HD1      LEU  16   6.490   1.653  -1.176
  117   3HD1  LEU  16          3HD1      LEU  16   6.816   1.284   0.532
  118   1HD2  LEU  16          1HD2      LEU  16   5.024   3.630  -0.449
  119   2HD2  LEU  16          2HD2      LEU  16   3.769   3.367   0.780
  120   3HD2  LEU  16          3HD2      LEU  16   5.473   3.213   1.216
  121    H    HIS  17           H        HIS  17   1.575  -0.673  -2.205
  122    HA   HIS  17           HA       HIS  17   0.723   0.668  -4.546
  123   1HB   HIS  17          1HB       HIS  17   1.347  -1.690  -4.502
  124   2HB   HIS  17          2HB       HIS  17  -0.033  -2.073  -3.467
  125    HD1  HIS  17           HD1      HIS  17   0.908  -1.334  -7.025
  126    HD2  HIS  17           HD2      HIS  17  -2.576  -2.003  -4.795
  127    HE1  HIS  17           HE1      HIS  17  -0.985  -1.721  -8.675
  128    H    LYS  18           H        LYS  18  -1.197  -0.640  -1.791
  129    HA   LYS  18           HA       LYS  18  -3.744  -0.051  -2.799
  130   1HB   LYS  18          1HB       LYS  18  -2.693  -0.282   0.041
  131   2HB   LYS  18          2HB       LYS  18  -4.413  -0.130  -0.330
  132   1HG   LYS  18          1HG       LYS  18  -2.741  -2.336  -1.589
  133   2HG   LYS  18          2HG       LYS  18  -3.420  -2.485   0.041
  134   1HD   LYS  18          1HD       LYS  18  -5.692  -2.191  -0.851
  135   2HD   LYS  18          2HD       LYS  18  -5.042  -1.909  -2.475
  136   1HE   LYS  18          1HE       LYS  18  -5.820  -4.200  -2.330
  137   2HE   LYS  18          2HE       LYS  18  -4.052  -4.195  -2.474
  138   1HZ   LYS  18          1HZ       LYS  18  -5.562  -4.518   0.021
  139   2HZ   LYS  18          2HZ       LYS  18  -4.830  -5.727  -0.828
  140   3HZ   LYS  18          3HZ       LYS  18  -3.919  -4.549  -0.125
  141    H    LEU  19           H        LEU  19  -1.726   1.966  -0.550
  142    HA   LEU  19           HA       LEU  19  -3.696   4.060  -0.538
  143   1HB   LEU  19          1HB       LEU  19  -2.154   5.313   0.808
  144   2HB   LEU  19          2HB       LEU  19  -2.262   3.638   1.334
  145    HG   LEU  19           HG       LEU  19  -0.081   3.354  -0.188
  146   1HD1  LEU  19          1HD1      LEU  19  -0.007   5.735  -0.988
  147   2HD1  LEU  19          2HD1      LEU  19   0.090   6.272   0.697
  148   3HD1  LEU  19          3HD1      LEU  19   1.403   5.314  -0.013
  149   1HD2  LEU  19          1HD2      LEU  19  -0.246   2.889   2.232
  150   2HD2  LEU  19          2HD2      LEU  19   1.271   3.716   1.840
  151   3HD2  LEU  19          3HD2      LEU  19  -0.068   4.621   2.580
  152    H    GLN  20           H        GLN  20  -0.874   3.448  -2.616
  153    HA   GLN  20           HA       GLN  20  -0.789   6.081  -3.738
  154   1HB   GLN  20          1HB       GLN  20   1.108   4.585  -3.905
  155   2HB   GLN  20          2HB       GLN  20   0.157   3.386  -4.793
  156   1HG   GLN  20          1HG       GLN  20   1.620   4.619  -6.290
  157   2HG   GLN  20          2HG       GLN  20  -0.063   4.936  -6.704
  158   1HE2  GLN  20          2HE2      GLN  20  -0.958   7.055  -6.257
  159   2HE2  GLN  20          1HE2      GLN  20   0.087   8.427  -5.953
  160    H    THR  21           H        THR  21  -1.993   3.002  -5.148
  161    HA   THR  21           HA       THR  21  -4.028   4.493  -6.736
  162    HB   THR  21           HB       THR  21  -2.661   3.297  -8.191
  163    HG1  THR  21           HG1      THR  21  -4.843   3.069  -8.599
  164   1HG2  THR  21          1HG2      THR  21  -2.967   0.787  -6.500
  165   2HG2  THR  21          2HG2      THR  21  -2.259   0.882  -8.119
  166   3HG2  THR  21          3HG2      THR  21  -1.474   1.719  -6.779
  167    H    TYR  22           H        TYR  22  -5.330   4.850  -4.868
  168    HA   TYR  22           HA       TYR  22  -6.524   2.790  -3.359
  169   1HB   TYR  22          1HB       TYR  22  -8.200   4.330  -2.727
  170   2HB   TYR  22          2HB       TYR  22  -6.623   5.102  -2.698
  171    HD1  TYR  22           HD1      TYR  22  -9.819   4.825  -4.632
  172    HD2  TYR  22           HD2      TYR  22  -6.199   7.086  -3.998
  173    HE1  TYR  22           HE1      TYR  22 -10.645   6.584  -6.164
  174    HE2  TYR  22           HE2      TYR  22  -7.063   8.875  -5.476
  175    HH   TYR  22           HH       TYR  22  -8.783   9.568  -6.840
  176    HA   PRO  23           HA       PRO  23  -9.804   2.372  -6.881
  177   1HB   PRO  23          1HB       PRO  23  -7.861   2.457  -9.189
  178   2HB   PRO  23          2HB       PRO  23  -9.596   2.886  -9.172
  179   1HG   PRO  23          1HG       PRO  23  -7.744   4.847  -9.140
  180   2HG   PRO  23          2HG       PRO  23  -9.128   4.941  -8.006
  181   1HD   PRO  23          1HD       PRO  23  -6.364   3.843  -7.474
  182   2HD   PRO  23          2HD       PRO  23  -7.220   5.098  -6.561
  183    H    ARG  24           H        ARG  24  -6.389   1.397  -7.317
  184    HA   ARG  24           HA       ARG  24  -5.316  -0.528  -7.041
  185   1HB   ARG  24          1HB       ARG  24  -7.385  -0.939  -5.368
  186   2HB   ARG  24          2HB       ARG  24  -7.740  -2.233  -6.517
  187   1HG   ARG  24          1HG       ARG  24  -5.127  -1.789  -4.995
  188   2HG   ARG  24          2HG       ARG  24  -6.420  -2.906  -4.538
  189   1HD   ARG  24          1HD       ARG  24  -6.072  -4.140  -6.692
  190   2HD   ARG  24          2HD       ARG  24  -4.678  -3.086  -7.002
  191    HE   ARG  24           HE       ARG  24  -4.720  -4.515  -4.439
  192   1HH1  ARG  24          1HH2      ARG  24  -3.429  -4.498  -7.773
  193   2HH1  ARG  24          2HH2      ARG  24  -2.072  -5.512  -7.349
  194   1HH2  ARG  24          1HH1      ARG  24  -2.938  -5.817  -3.949
  195   2HH2  ARG  24          2HH1      ARG  24  -1.798  -6.266  -5.197
  196    H    THR  25           H        THR  25  -4.538  -1.914  -8.583
  197    HA   THR  25           HA       THR  25  -5.815  -1.956 -11.177
  198    HB   THR  25           HB       THR  25  -3.715  -3.078 -11.845
  199    HG1  THR  25           HG1      THR  25  -3.422  -4.248  -9.893
  200   1HG2  THR  25          1HG2      THR  25  -3.783  -0.604 -11.676
  201   2HG2  THR  25          2HG2      THR  25  -3.206  -0.704  -9.998
  202   3HG2  THR  25          3HG2      THR  25  -2.175  -1.268 -11.325
  203    H    ASP  26           H        ASP  26  -7.586  -3.229  -9.605
  204    HA   ASP  26           HA       ASP  26  -7.826  -5.833 -10.870
  205   1HB   ASP  26          1HB       ASP  26  -7.731  -5.563  -7.824
  206   2HB   ASP  26          2HB       ASP  26  -8.418  -6.945  -8.682
  207    H    VAL  27           H        VAL  27  -9.097  -3.747  -8.231
  208    HA   VAL  27           HA       VAL  27 -11.861  -4.370  -8.894
  209    HB   VAL  27           HB       VAL  27 -10.655  -2.444  -6.863
  210   1HG1  VAL  27          1HG1      VAL  27 -13.486  -3.547  -7.163
  211   2HG1  VAL  27          2HG1      VAL  27 -12.892  -2.594  -5.789
  212   3HG1  VAL  27          3HG1      VAL  27 -12.997  -1.855  -7.391
  213   1HG2  VAL  27          1HG2      VAL  27 -11.682  -5.301  -6.566
  214   2HG2  VAL  27          2HG2      VAL  27  -9.995  -4.771  -6.391
  215   3HG2  VAL  27          3HG2      VAL  27 -11.212  -4.230  -5.230
  216    H    GLY  28           H        GLY  28  -9.901  -1.332  -8.759
  217   1HA   GLY  28          1HA       GLY  28 -10.029   0.584 -10.021
  218   2HA   GLY  28          2HA       GLY  28 -11.237  -0.160 -11.080
  219    H    ALA  29           H        ALA  29 -10.971   0.599  -7.577
  220    HA   ALA  29           HA       ALA  29 -13.793   1.224  -7.321
  221   1HB   ALA  29          1HB       ALA  29 -12.494  -0.023  -5.614
  222   2HB   ALA  29          2HB       ALA  29 -11.498   1.418  -5.327
  223   3HB   ALA  29          3HB       ALA  29 -13.232   1.440  -4.943
  224    H    GLY  30           H        GLY  30 -14.272   3.183  -5.822
  225   1HA   GLY  30          1HA       GLY  30 -12.810   5.670  -6.592
  226   2HA   GLY  30          2HA       GLY  30 -14.565   5.540  -6.797
  227    H    THR  31           H        THR  31 -11.940   5.150  -4.389
  228    HA   THR  31           HA       THR  31 -13.563   4.813  -2.156
  229    HB   THR  31           HB       THR  31 -10.707   5.856  -2.201
  230    HG1  THR  31           HG1      THR  31 -10.266   3.648  -2.008
  231   1HG2  THR  31          1HG2      THR  31 -12.332   4.446  -0.045
  232   2HG2  THR  31          2HG2      THR  31 -10.589   4.779   0.016
  233   3HG2  THR  31          3HG2      THR  31 -11.741   6.123   0.018
  234    HA   PRO  32           HA       PRO  32 -13.133   9.591  -1.253
  235   1HB   PRO  32          1HB       PRO  32 -13.321  10.517  -4.124
  236   2HB   PRO  32          2HB       PRO  32 -12.545  11.335  -2.736
  237   1HG   PRO  32          1HG       PRO  32 -11.018  10.000  -4.522
  238   2HG   PRO  32          2HG       PRO  32 -10.719   9.762  -2.772
  239   1HD   PRO  32          1HD       PRO  32 -12.328   8.003  -4.641
  240   2HD   PRO  32          2HD       PRO  32 -11.052   7.546  -3.474
  241    H1   NAG 300           H1       NAG   3   8.099 -15.693   3.679
  242    H2   NAG 300           H2       NAG   3   9.165 -18.419   2.760
  243    H3   NAG 300           H3       NAG   3   7.758 -16.176   1.265
  244    H4   NAG 300           H4       NAG   3   6.884 -19.007   1.948
  245    H5   NAG 300           H5       NAG   3   5.851 -16.333   3.018
  246   1H6   NAG 300          1H6       NAG   3   5.165 -19.234   3.678
  247   2H6   NAG 300          2H6       NAG   3   4.095 -18.043   2.899
  248   1H8   NAG 300          1H8       NAG   3  12.640 -16.191   1.107
  249   2H8   NAG 300          2H8       NAG   3  12.526 -15.250   2.614
  250   3H8   NAG 300          3H8       NAG   3  13.548 -16.702   2.547
  251    HN2  NAG 300           HN2      NAG   3  10.164 -15.858   1.660
  252    HO4  NAG 300           HO4      NAG   3   5.540 -16.812   0.681
  253    HO3  NAG 300           HO3      NAG   3   7.860 -17.733  -0.456
  254    HO6  NAG 300           HO6      NAG   3   3.730 -18.254   5.157
  255   1HN   NH2  33          1HN       NH2  33 -16.581  10.433  -1.617
  256   2HN   NH2  33          2HN       NH2  33 -15.044  10.833  -0.880
  Start of MODEL    5
    1   1H    CYS   1          1H        CYS   1   3.224 -16.949   9.039
    2   2H    CYS   1          2H        CYS   1   3.151 -15.439   9.698
    3   3H    CYS   1          3H        CYS   1   2.540 -15.712   8.191
    4    HA   CYS   1           HA       CYS   1   4.675 -16.196   7.321
    5   1HB   CYS   1          1HB       CYS   1   4.505 -13.554   8.799
    6   2HB   CYS   1          2HB       CYS   1   5.703 -13.961   7.557
    7    H    SER   2           H        SER   2   6.282 -17.507   7.872
    8    HA   SER   2           HA       SER   2   7.348 -17.614  10.591
    9   1HB   SER   2          1HB       SER   2   6.889 -19.667   9.344
   10   2HB   SER   2          2HB       SER   2   8.019 -19.182   8.065
   11    HG   SER   2           HG       SER   2   8.658 -19.599  10.801
   12    H    ASN   3           H        ASN   3   8.742 -17.139   7.297
   13    HA   ASN   3           HA       ASN   3  11.329 -16.492   8.223
   14   1HB   ASN   3          1HB       ASN   3  11.793 -15.823   5.925
   15   2HB   ASN   3          2HB       ASN   3  10.959 -17.375   6.016
   16   1HD2  ASN   3          1HD2      ASN   3   8.787 -17.544   5.297
   17    H    LEU   4           H        LEU   4   8.576 -14.378   7.386
   18    HA   LEU   4           HA       LEU   4   8.230 -12.162   7.551
   19   1HB   LEU   4          1HB       LEU   4  10.171 -12.423   9.885
   20   2HB   LEU   4          2HB       LEU   4   9.149 -11.018   9.590
   21    HG   LEU   4           HG       LEU   4   7.968 -13.798   9.946
   22   1HD1  LEU   4          1HD1      LEU   4   8.520 -11.699  12.080
   23   2HD1  LEU   4          2HD1      LEU   4   7.575 -13.189  12.302
   24   3HD1  LEU   4          3HD1      LEU   4   9.307 -13.287  11.938
   25   1HD2  LEU   4          1HD2      LEU   4   6.828 -10.985  10.322
   26   2HD2  LEU   4          2HD2      LEU   4   6.480 -12.049   8.948
   27   3HD2  LEU   4          3HD2      LEU   4   5.954 -12.507  10.575
   28    H    SER   5           H        SER   5   9.667 -12.584   5.465
   29    HA   SER   5           HA       SER   5  11.542 -10.297   5.309
   30   1HB   SER   5          1HB       SER   5  12.238 -13.144   4.430
   31   2HB   SER   5          2HB       SER   5  13.179 -11.681   4.071
   32    HG   SER   5           HG       SER   5  13.360 -11.393   6.356
   33    H    THR   6           H        THR   6  10.405 -13.071   3.314
   34    HA   THR   6           HA       THR   6   9.828 -11.506   0.976
   35    HB   THR   6           HB       THR   6   8.787 -14.206   1.899
   36    HG1  THR   6           HG1      THR   6  11.008 -13.514   0.281
   37   1HG2  THR   6          1HG2      THR   6   8.905 -12.973  -0.884
   38   2HG2  THR   6          2HG2      THR   6   8.515 -14.669  -0.534
   39   3HG2  THR   6          3HG2      THR   6   7.435 -13.385   0.033
   40    H    CYS   7           H        CYS   7   7.908 -12.778   3.714
   41    HA   CYS   7           HA       CYS   7   5.353 -11.811   2.983
   42   1HB   CYS   7          1HB       CYS   7   5.627 -13.484   4.657
   43   2HB   CYS   7          2HB       CYS   7   6.665 -12.452   5.640
   44    H    VAL   8           H        VAL   8   7.968 -10.294   4.954
   45    HA   VAL   8           HA       VAL   8   6.506  -7.958   5.652
   46    HB   VAL   8           HB       VAL   8   9.476  -8.586   5.528
   47   1HG1  VAL   8          1HG2      VAL   8   8.101  -6.084   6.598
   48   2HG1  VAL   8          2HG2      VAL   8   9.774  -6.555   6.964
   49   3HG1  VAL   8          3HG2      VAL   8   9.321  -6.163   5.304
   50   1HG2  VAL   8          1HG1      VAL   8   8.072  -9.802   7.214
   51   2HG2  VAL   8          2HG1      VAL   8   9.233  -8.699   7.973
   52   3HG2  VAL   8          3HG1      VAL   8   7.523  -8.243   7.852
   53    H    LEU   9           H        LEU   9   8.939  -8.488   3.041
   54    HA   LEU   9           HA       LEU   9   8.772  -5.931   1.856
   55   1HB   LEU   9          1HB       LEU   9   9.414  -8.673   0.725
   56   2HB   LEU   9          2HB       LEU   9   9.582  -7.190  -0.218
   57    HG   LEU   9           HG       LEU   9  11.024  -7.584   2.439
   58   1HD1  LEU   9          1HD1      LEU   9  11.698  -9.370   0.861
   59   2HD1  LEU   9          2HD1      LEU   9  12.032  -8.147  -0.383
   60   3HD1  LEU   9          3HD1      LEU   9  13.003  -8.197   1.104
   61   1HD2  LEU   9          1HD2      LEU   9  11.484  -5.689   0.091
   62   2HD2  LEU   9          2HD2      LEU   9  10.874  -5.233   1.695
   63   3HD2  LEU   9          3HD2      LEU   9  12.524  -5.835   1.520
   64    H    GLY  10           H        GLY  10   6.851  -8.895   1.248
   65   1HA   GLY  10          1HA       GLY  10   5.301  -7.958  -0.924
   66   2HA   GLY  10          2HA       GLY  10   4.855  -9.229   0.227
   67    H    LYS  11           H        LYS  11   4.730  -7.827   2.629
   68    HA   LYS  11           HA       LYS  11   2.109  -6.799   2.487
   69   1HB   LYS  11          1HB       LYS  11   3.012  -7.973   4.441
   70   2HB   LYS  11          2HB       LYS  11   4.180  -6.683   4.714
   71   1HG   LYS  11          1HG       LYS  11   2.290  -6.534   6.260
   72   2HG   LYS  11          2HG       LYS  11   2.422  -5.094   5.254
   73   1HD   LYS  11          1HD       LYS  11   0.097  -5.771   5.565
   74   2HD   LYS  11          2HD       LYS  11   0.532  -5.853   3.857
   75   1HE   LYS  11          1HE       LYS  11   0.766  -8.310   4.013
   76   2HE   LYS  11          2HE       LYS  11   0.469  -8.241   5.763
   77   1HZ   LYS  11          1HZ       LYS  11  -1.419  -7.447   3.665
   78   2HZ   LYS  11          2HZ       LYS  11  -1.472  -8.845   4.537
   79   3HZ   LYS  11          3HZ       LYS  11  -1.704  -7.395   5.288
   80    H    LEU  12           H        LEU  12   5.247  -5.085   3.125
   81    HA   LEU  12           HA       LEU  12   3.987  -2.528   3.292
   82   1HB   LEU  12          1HB       LEU  12   6.167  -1.575   3.388
   83   2HB   LEU  12          2HB       LEU  12   6.048  -3.017   4.388
   84    HG   LEU  12           HG       LEU  12   7.116  -4.200   2.238
   85   1HD1  LEU  12          1HD2      LEU  12   7.196  -2.116   0.823
   86   2HD1  LEU  12          2HD2      LEU  12   8.202  -1.348   2.060
   87   3HD1  LEU  12          3HD2      LEU  12   8.805  -2.756   1.167
   88   1HD2  LEU  12          1HD1      LEU  12   8.078  -4.154   4.508
   89   2HD2  LEU  12          2HD1      LEU  12   9.329  -3.875   3.286
   90   3HD2  LEU  12          3HD1      LEU  12   8.688  -2.511   4.226
   91    H    SER  13           H        SER  13   5.380  -4.333   0.534
   92    HA   SER  13           HA       SER  13   5.283  -2.195  -1.351
   93   1HB   SER  13          1HB       SER  13   6.540  -4.249  -1.757
   94   2HB   SER  13          2HB       SER  13   5.040  -5.205  -1.761
   95    HG   SER  13           HG       SER  13   5.688  -3.086  -3.535
   96    H    GLN  14           H        GLN  14   2.916  -4.748  -0.468
   97    HA   GLN  14           HA       GLN  14   0.844  -4.031  -2.242
   98   1HB   GLN  14          1HB       GLN  14   0.962  -6.160  -1.059
   99   2HB   GLN  14          2HB       GLN  14   0.753  -5.346   0.501
  100   1HG   GLN  14          1HG       GLN  14  -1.516  -4.612  -0.177
  101   2HG   GLN  14          2HG       GLN  14  -1.277  -5.346  -1.772
  102   1HE2  GLN  14          2HE2      GLN  14  -1.055  -6.206   1.741
  103   2HE2  GLN  14          1HE2      GLN  14  -1.773  -7.793   1.569
  104    H    GLU  15           H        GLU  15   1.555  -2.931   1.112
  105    HA   GLU  15           HA       GLU  15  -0.779  -1.377   1.461
  106   1HB   GLU  15          1HB       GLU  15   0.650  -2.117   3.309
  107   2HB   GLU  15          2HB       GLU  15   1.991  -1.134   2.709
  108   1HG   GLU  15          1HG       GLU  15   0.887  -0.033   4.584
  109   2HG   GLU  15          2HG       GLU  15   0.710   0.932   3.122
  110    H    LEU  16           H        LEU  16   2.549  -0.387   0.488
  111    HA   LEU  16           HA       LEU  16   2.005   2.349   0.102
  112   1HB   LEU  16          1HB       LEU  16   4.050   0.474  -1.134
  113   2HB   LEU  16          2HB       LEU  16   4.069   2.217  -1.417
  114    HG   LEU  16           HG       LEU  16   4.180   1.042   1.393
  115   1HD1  LEU  16          1HD1      LEU  16   6.095   0.194   0.067
  116   2HD1  LEU  16          2HD1      LEU  16   6.491   1.855  -0.421
  117   3HD1  LEU  16          3HD1      LEU  16   6.618   1.371   1.284
  118   1HD2  LEU  16          1HD2      LEU  16   4.934   3.771   0.255
  119   2HD2  LEU  16          2HD2      LEU  16   3.540   3.425   1.300
  120   3HD2  LEU  16          3HD2      LEU  16   5.179   3.246   1.933
  121    H    HIS  17           H        HIS  17   1.793  -0.407  -2.190
  122    HA   HIS  17           HA       HIS  17   1.080   1.094  -4.495
  123   1HB   HIS  17          1HB       HIS  17   1.811  -1.207  -4.651
  124   2HB   HIS  17          2HB       HIS  17   0.449  -1.762  -3.668
  125    HD1  HIS  17           HD1      HIS  17  -1.865  -1.985  -4.782
  126    HD2  HIS  17           HD2      HIS  17   1.076  -0.438  -7.336
  127    HE1  HIS  17           HE1      HIS  17  -2.840  -1.953  -7.129
  128    H    LYS  18           H        LYS  18  -0.925  -0.417  -1.912
  129    HA   LYS  18           HA       LYS  18  -3.404   0.007  -3.133
  130   1HB   LYS  18          1HB       LYS  18  -3.018  -1.562  -1.278
  131   2HB   LYS  18          2HB       LYS  18  -2.701  -0.223  -0.179
  132   1HG   LYS  18          1HG       LYS  18  -4.945  -1.110   0.146
  133   2HG   LYS  18          2HG       LYS  18  -4.999   0.569  -0.373
  134   1HD   LYS  18          1HD       LYS  18  -6.736  -0.787  -1.460
  135   2HD   LYS  18          2HD       LYS  18  -5.637  -0.078  -2.639
  136   1HE   LYS  18          1HE       LYS  18  -6.222  -2.402  -3.203
  137   2HE   LYS  18          2HE       LYS  18  -4.486  -2.244  -2.922
  138   1HZ   LYS  18          1HZ       LYS  18  -6.455  -3.251  -0.989
  139   2HZ   LYS  18          2HZ       LYS  18  -5.406  -4.170  -1.869
  140   3HZ   LYS  18          3HZ       LYS  18  -4.831  -3.128  -0.729
  141    H    LEU  19           H        LEU  19  -1.748   2.031  -0.628
  142    HA   LEU  19           HA       LEU  19  -3.821   4.008  -0.624
  143   1HB   LEU  19          1HB       LEU  19  -2.421   5.282   0.835
  144   2HB   LEU  19          2HB       LEU  19  -2.434   3.580   1.278
  145    HG   LEU  19           HG       LEU  19  -0.181   3.511  -0.155
  146   1HD1  LEU  19          1HD1      LEU  19  -0.240   5.934  -0.851
  147   2HD1  LEU  19          2HD1      LEU  19  -0.244   6.395   0.858
  148   3HD1  LEU  19          3HD1      LEU  19   1.157   5.560   0.160
  149   1HD2  LEU  19          1HD2      LEU  19  -0.385   4.650   2.660
  150   2HD2  LEU  19          2HD2      LEU  19  -0.395   2.930   2.221
  151   3HD2  LEU  19          3HD2      LEU  19   1.059   3.901   1.947
  152    H    GLN  20           H        GLN  20  -0.864   3.637  -2.570
  153    HA   GLN  20           HA       GLN  20  -0.831   6.305  -3.591
  154   1HB   GLN  20          1HB       GLN  20   1.130   4.868  -3.663
  155   2HB   GLN  20          2HB       GLN  20   0.287   3.694  -4.687
  156   1HG   GLN  20          1HG       GLN  20   1.820   5.028  -6.004
  157   2HG   GLN  20          2HG       GLN  20   0.169   5.356  -6.520
  158   1HE2  GLN  20          2HE2      GLN  20  -0.782   7.440  -6.005
  159   2HE2  GLN  20          1HE2      GLN  20   0.226   8.799  -5.551
  160    H    THR  21           H        THR  21  -2.066   3.212  -4.936
  161    HA   THR  21           HA       THR  21  -3.229   4.235  -7.296
  162    HB   THR  21           HB       THR  21  -3.958   1.784  -5.629
  163    HG1  THR  21           HG1      THR  21  -1.818   1.792  -6.292
  164   1HG2  THR  21          1HG2      THR  21  -4.522   2.447  -8.554
  165   2HG2  THR  21          2HG2      THR  21  -4.790   0.870  -7.783
  166   3HG2  THR  21          3HG2      THR  21  -5.739   2.272  -7.270
  167    H    TYR  22           H        TYR  22  -4.609   3.619  -4.051
  168    HA   TYR  22           HA       TYR  22  -6.496   4.206  -3.015
  169   1HB   TYR  22          1HB       TYR  22  -5.491   6.398  -3.175
  170   2HB   TYR  22          2HB       TYR  22  -6.227   6.677  -4.746
  171    HD1  TYR  22           HD1      TYR  22  -7.479   5.502  -1.356
  172    HD2  TYR  22           HD2      TYR  22  -7.921   8.278  -4.633
  173    HE1  TYR  22           HE1      TYR  22  -9.360   6.594  -0.183
  174    HE2  TYR  22           HE2      TYR  22  -9.744   9.415  -3.417
  175    HH   TYR  22           HH       TYR  22 -10.854   8.344  -0.180
  176    HA   PRO  23           HA       PRO  23  -9.167   2.763  -6.572
  177   1HB   PRO  23          1HB       PRO  23  -9.861   0.309  -5.600
  178   2HB   PRO  23          2HB       PRO  23  -8.332   0.612  -6.474
  179   1HG   PRO  23          1HG       PRO  23  -8.739   0.493  -3.476
  180   2HG   PRO  23          2HG       PRO  23  -7.487  -0.322  -4.453
  181   1HD   PRO  23          1HD       PRO  23  -7.030   2.035  -3.158
  182   2HD   PRO  23          2HD       PRO  23  -6.284   1.682  -4.744
  183    H    ARG  24           H        ARG  24 -10.951   4.019  -6.300
  184    HA   ARG  24           HA       ARG  24 -12.063   4.569  -3.733
  185   1HB   ARG  24          1HB       ARG  24 -13.045   5.225  -6.536
  186   2HB   ARG  24          2HB       ARG  24 -13.785   5.802  -5.032
  187   1HG   ARG  24          1HG       ARG  24 -11.588   6.840  -4.387
  188   2HG   ARG  24          2HG       ARG  24 -10.917   6.335  -5.944
  189   1HD   ARG  24          1HD       ARG  24 -11.640   8.691  -6.029
  190   2HD   ARG  24          2HD       ARG  24 -12.573   7.687  -7.144
  191    HE   ARG  24           HE       ARG  24 -14.488   8.129  -5.988
  192   1HH1  ARG  24          1HH2      ARG  24 -11.759   9.042  -3.896
  193   2HH1  ARG  24          2HH2      ARG  24 -12.793   9.685  -2.643
  194   1HH2  ARG  24          1HH1      ARG  24 -15.806   8.948  -4.329
  195   2HH2  ARG  24          2HH1      ARG  24 -15.090   9.642  -2.896
  196    H    THR  25           H        THR  25 -13.176   3.114  -2.598
  197    HA   THR  25           HA       THR  25 -14.771   1.010  -3.805
  198    HB   THR  25           HB       THR  25 -15.338   0.543  -1.397
  199    HG1  THR  25           HG1      THR  25 -14.114   1.704   0.138
  200   1HG2  THR  25          1HG2      THR  25 -13.398  -0.530  -2.515
  201   2HG2  THR  25          2HG2      THR  25 -12.361   0.823  -2.011
  202   3HG2  THR  25          3HG2      THR  25 -13.094  -0.236  -0.792
  203    H    ASP  26           H        ASP  26 -15.543   3.766  -1.625
  204    HA   ASP  26           HA       ASP  26 -18.399   3.617  -2.413
  205   1HB   ASP  26          1HB       ASP  26 -16.943   4.974  -0.117
  206   2HB   ASP  26          2HB       ASP  26 -18.683   5.081  -0.401
  207    H    VAL  27           H        VAL  27 -19.545   5.755  -2.426
  208    HA   VAL  27           HA       VAL  27 -18.358   7.523  -4.430
  209    HB   VAL  27           HB       VAL  27 -21.072   7.534  -3.042
  210   1HG1  VAL  27          1HG1      VAL  27 -20.052   9.097  -5.457
  211   2HG1  VAL  27          2HG1      VAL  27 -21.742   9.030  -4.917
  212   3HG1  VAL  27          3HG1      VAL  27 -20.520   9.783  -3.886
  213   1HG2  VAL  27          1HG2      VAL  27 -20.215   6.538  -5.797
  214   2HG2  VAL  27          2HG2      VAL  27 -20.754   5.523  -4.442
  215   3HG2  VAL  27          3HG2      VAL  27 -21.888   6.640  -5.211
  216    H    GLY  28           H        GLY  28 -19.610   7.775  -1.060
  217   1HA   GLY  28          1HA       GLY  28 -18.590  10.474  -0.626
  218   2HA   GLY  28          2HA       GLY  28 -19.296   9.366   0.561
  219    H    ALA  29           H        ALA  29 -16.375  10.163  -1.241
  220    HA   ALA  29           HA       ALA  29 -14.185   9.834  -0.962
  221   1HB   ALA  29          1HB       ALA  29 -14.518  10.415   1.442
  222   2HB   ALA  29          2HB       ALA  29 -14.681   8.682   1.810
  223   3HB   ALA  29          3HB       ALA  29 -13.169   9.307   1.137
  224    H    GLY  30           H        GLY  30 -12.534   8.066  -0.961
  225   1HA   GLY  30          1HA       GLY  30 -13.645   5.658  -2.205
  226   2HA   GLY  30          2HA       GLY  30 -11.946   6.144  -2.060
  227    H    THR  31           H        THR  31 -14.517   5.608   0.377
  228    HA   THR  31           HA       THR  31 -13.392   3.278   1.573
  229    HB   THR  31           HB       THR  31 -11.621   4.736   2.328
  230    HG1  THR  31           HG1      THR  31 -11.958   4.586   4.558
  231   1HG2  THR  31          1HG2      THR  31 -12.707   6.955   2.064
  232   2HG2  THR  31          2HG2      THR  31 -13.737   6.614   3.474
  233   3HG2  THR  31          3HG2      THR  31 -11.983   6.747   3.662
  234    HA   PRO  32           HA       PRO  32 -17.632   3.676   3.032
  235   1HB   PRO  32          1HB       PRO  32 -17.827   1.586   4.764
  236   2HB   PRO  32          2HB       PRO  32 -17.622   1.344   3.005
  237   1HG   PRO  32          1HG       PRO  32 -15.451   1.340   5.125
  238   2HG   PRO  32          2HG       PRO  32 -15.763   0.090   3.883
  239   1HD   PRO  32          1HD       PRO  32 -13.904   2.029   3.508
  240   2HD   PRO  32          2HD       PRO  32 -14.936   1.487   2.154
  241    H1   NAG 300           H1       NAG   3   7.833 -15.324   3.539
  242    H2   NAG 300           H2       NAG   3   8.357 -18.235   2.735
  243    H3   NAG 300           H3       NAG   3   7.350 -15.854   1.135
  244    H4   NAG 300           H4       NAG   3   5.988 -18.431   2.007
  245    H5   NAG 300           H5       NAG   3   5.520 -15.549   2.914
  246   1H6   NAG 300          1H6       NAG   3   4.293 -18.177   3.867
  247   2H6   NAG 300          2H6       NAG   3   3.467 -16.967   2.856
  248   1H8   NAG 300          1H8       NAG   3  12.102 -16.707   0.885
  249   2H8   NAG 300          2H8       NAG   3  12.282 -15.824   2.420
  250   3H8   NAG 300          3H8       NAG   3  12.960 -17.457   2.249
  251    HN2  NAG 300           HN2      NAG   3   9.784 -15.933   1.519
  252    HO4  NAG 300           HO4      NAG   3   5.314 -17.524  -0.024
  253    HO3  NAG 300           HO3      NAG   3   7.791 -18.603   0.443
  254    HO6  NAG 300           HO6      NAG   3   3.786 -15.466   4.540
  255   1HN   NH2  33          1HN       NH2  33 -18.861   4.218   4.988
  256   2HN   NH2  33          2HN       NH2  33 -18.044   4.943   6.356
  Start of MODEL    6
    1   1H    CYS   1          1H        CYS   1   2.527 -15.381   6.348
    2   2H    CYS   1          2H        CYS   1   2.376 -15.451   7.989
    3   3H    CYS   1          3H        CYS   1   1.816 -14.137   7.165
    4    HA   CYS   1           HA       CYS   1   3.977 -13.543   6.480
    5   1HB   CYS   1          1HB       CYS   1   3.041 -12.584   8.507
    6   2HB   CYS   1          2HB       CYS   1   3.664 -13.901   9.485
    7    H    SER   2           H        SER   2   4.984 -15.370   9.338
    8    HA   SER   2           HA       SER   2   6.546 -16.932   9.710
    9   1HB   SER   2          1HB       SER   2   5.228 -18.192   7.269
   10   2HB   SER   2          2HB       SER   2   6.125 -19.047   8.542
   11    HG   SER   2           HG       SER   2   3.873 -19.074   8.881
   12    H    ASN   3           H        ASN   3   7.769 -14.819   8.332
   13    HA   ASN   3           HA       ASN   3  10.093 -16.235   7.198
   14   1HB   ASN   3          1HB       ASN   3   8.504 -14.134   5.667
   15   2HB   ASN   3          2HB       ASN   3  10.175 -14.564   5.295
   16   1HD2  ASN   3          1HD2      ASN   3   6.934 -15.277   4.680
   17    H    LEU   4           H        LEU   4   8.561 -13.069   7.847
   18    HA   LEU   4           HA       LEU   4   9.324 -11.082   8.526
   19   1HB   LEU   4          1HB       LEU   4  11.583 -12.552   9.937
   20   2HB   LEU   4          2HB       LEU   4  11.014 -10.915  10.257
   21    HG   LEU   4           HG       LEU   4   9.369 -13.452  10.691
   22   1HD1  LEU   4          1HD1      LEU   4  11.275 -13.265  12.240
   23   2HD1  LEU   4          2HD1      LEU   4  10.773 -11.617  12.674
   24   3HD1  LEU   4          3HD1      LEU   4   9.736 -13.002  13.079
   25   1HD2  LEU   4          1HD2      LEU   4   8.808 -10.536  11.410
   26   2HD2  LEU   4          2HD2      LEU   4   7.912 -11.514  10.228
   27   3HD2  LEU   4          3HD2      LEU   4   7.846 -11.930  11.943
   28    H    SER   5           H        SER   5   9.926 -11.857   5.971
   29    HA   SER   5           HA       SER   5  12.084 -10.075   5.277
   30   1HB   SER   5          1HB       SER   5  13.483 -12.012   5.816
   31   2HB   SER   5          2HB       SER   5  12.477 -13.073   4.819
   32    HG   SER   5           HG       SER   5  13.954 -10.821   3.919
   33    H    THR   6           H        THR   6  10.660 -13.016   3.766
   34    HA   THR   6           HA       THR   6   9.702 -11.729   1.388
   35    HB   THR   6           HB       THR   6   8.939 -14.295   2.827
   36    HG1  THR   6           HG1      THR   6  10.591 -13.778   0.591
   37   1HG2  THR   6          1HG2      THR   6   8.209 -13.398   0.015
   38   2HG2  THR   6          2HG2      THR   6   8.009 -15.043   0.658
   39   3HG2  THR   6          3HG2      THR   6   7.083 -13.708   1.358
   40    H    CYS   7           H        CYS   7   8.330 -12.479   4.577
   41    HA   CYS   7           HA       CYS   7   5.675 -11.567   4.266
   42   1HB   CYS   7          1HB       CYS   7   6.375 -12.893   6.137
   43   2HB   CYS   7          2HB       CYS   7   7.597 -11.707   6.603
   44    H    VAL   8           H        VAL   8   8.656  -9.834   5.333
   45    HA   VAL   8           HA       VAL   8   7.393  -7.348   5.862
   46    HB   VAL   8           HB       VAL   8  10.284  -8.068   5.239
   47   1HG1  VAL   8          1HG2      VAL   8   9.107  -5.453   6.273
   48   2HG1  VAL   8          2HG2      VAL   8  10.829  -5.883   6.334
   49   3HG1  VAL   8          3HG2      VAL   8  10.032  -5.692   4.771
   50   1HG2  VAL   8          1HG1      VAL   8   9.316  -9.082   7.304
   51   2HG2  VAL   8          2HG1      VAL   8  10.565  -7.885   7.673
   52   3HG2  VAL   8          3HG1      VAL   8   8.849  -7.467   7.865
   53    H    LEU   9           H        LEU   9   9.196  -8.501   2.969
   54    HA   LEU   9           HA       LEU   9   8.911  -6.172   1.391
   55   1HB   LEU   9          1HB       LEU   9   9.203  -9.110   0.685
   56   2HB   LEU   9          2HB       LEU   9   9.256  -7.827  -0.526
   57    HG   LEU   9           HG       LEU   9  11.154  -7.868   1.860
   58   1HD1  LEU   9          1HD1      LEU   9  11.581  -9.018  -0.929
   59   2HD1  LEU   9          2HD1      LEU   9  12.818  -8.865   0.338
   60   3HD1  LEU   9          3HD1      LEU   9  11.441  -9.954   0.574
   61   1HD2  LEU   9          1HD2      LEU   9  11.259  -6.469  -0.850
   62   2HD2  LEU   9          2HD2      LEU   9  10.974  -5.684   0.717
   63   3HD2  LEU   9          3HD2      LEU   9  12.536  -6.437   0.382
   64    H    GLY  10           H        GLY  10   6.809  -9.071   1.670
   65   1HA   GLY  10          1HA       GLY  10   4.889  -8.377  -0.289
   66   2HA   GLY  10          2HA       GLY  10   4.640  -9.433   1.112
   67    H    LYS  11           H        LYS  11   5.043  -7.690   3.232
   68    HA   LYS  11           HA       LYS  11   2.510  -6.500   3.532
   69   1HB   LYS  11          1HB       LYS  11   3.852  -7.354   5.375
   70   2HB   LYS  11          2HB       LYS  11   5.091  -6.132   5.086
   71   1HG   LYS  11          1HG       LYS  11   3.347  -4.346   5.636
   72   2HG   LYS  11          2HG       LYS  11   2.207  -5.664   5.936
   73   1HD   LYS  11          1HD       LYS  11   2.900  -5.244   8.071
   74   2HD   LYS  11          2HD       LYS  11   4.063  -6.502   7.642
   75   1HE   LYS  11          1HE       LYS  11   4.525  -3.473   7.585
   76   2HE   LYS  11          2HE       LYS  11   5.101  -4.594   8.829
   77   1HZ   LYS  11          1HZ       LYS  11   6.406  -5.681   7.134
   78   2HZ   LYS  11          2HZ       LYS  11   5.928  -4.559   6.021
   79   3HZ   LYS  11          3HZ       LYS  11   6.821  -4.096   7.324
   80    H    LEU  12           H        LEU  12   5.745  -4.884   3.148
   81    HA   LEU  12           HA       LEU  12   4.579  -2.284   3.067
   82   1HB   LEU  12          1HB       LEU  12   6.752  -1.438   2.589
   83   2HB   LEU  12          2HB       LEU  12   6.805  -2.680   3.833
   84    HG   LEU  12           HG       LEU  12   7.425  -4.264   1.769
   85   1HD1  LEU  12          1HD2      LEU  12   7.258  -2.470   0.009
   86   2HD1  LEU  12          2HD2      LEU  12   8.487  -1.540   0.879
   87   3HD1  LEU  12          3HD2      LEU  12   8.896  -3.109   0.160
   88   1HD2  LEU  12          1HD1      LEU  12   8.805  -3.855   3.777
   89   2HD2  LEU  12          2HD1      LEU  12   9.797  -3.878   2.310
   90   3HD2  LEU  12          3HD1      LEU  12   9.380  -2.330   3.075
   91    H    SER  13           H        SER  13   5.378  -4.612   0.470
   92    HA   SER  13           HA       SER  13   5.003  -2.827  -1.717
   93   1HB   SER  13          1HB       SER  13   6.075  -5.009  -1.959
   94   2HB   SER  13          2HB       SER  13   4.559  -5.837  -1.536
   95    HG   SER  13           HG       SER  13   3.630  -4.856  -3.384
   96    H    GLN  14           H        GLN  14   2.740  -5.042  -0.016
   97    HA   GLN  14           HA       GLN  14   0.401  -4.456  -1.472
   98   1HB   GLN  14          1HB       GLN  14   0.606  -6.367  -0.042
   99   2HB   GLN  14          2HB       GLN  14   0.833  -5.382   1.401
  100   1HG   GLN  14          1HG       GLN  14  -1.688  -5.298  -0.314
  101   2HG   GLN  14          2HG       GLN  14  -1.472  -6.428   1.027
  102   1HE2  GLN  14          2HE2      GLN  14  -3.271  -3.918   0.488
  103   2HE2  GLN  14          1HE2      GLN  14  -3.150  -3.038   1.995
  104    H    GLU  15           H        GLU  15   1.708  -2.945   1.528
  105    HA   GLU  15           HA       GLU  15  -0.438  -1.196   1.990
  106   1HB   GLU  15          1HB       GLU  15   1.279  -1.768   3.657
  107   2HB   GLU  15          2HB       GLU  15   2.513  -0.928   2.709
  108   1HG   GLU  15          1HG       GLU  15   1.787   0.464   4.566
  109   2HG   GLU  15          2HG       GLU  15   1.333   1.227   3.044
  110    H    LEU  16           H        LEU  16   2.694  -0.572   0.318
  111    HA   LEU  16           HA       LEU  16   2.164   2.135  -0.311
  112   1HB   LEU  16          1HB       LEU  16   3.978   0.053  -1.578
  113   2HB   LEU  16          2HB       LEU  16   3.991   1.752  -2.060
  114    HG   LEU  16           HG       LEU  16   4.488   0.882   0.820
  115   1HD1  LEU  16          1HD1      LEU  16   6.185  -0.136  -0.674
  116   2HD1  LEU  16          2HD1      LEU  16   6.517   1.459  -1.380
  117   3HD1  LEU  16          3HD1      LEU  16   6.885   1.144   0.330
  118   1HD2  LEU  16          1HD2      LEU  16   5.074   3.465  -0.693
  119   2HD2  LEU  16          2HD2      LEU  16   3.858   3.253   0.586
  120   3HD2  LEU  16          3HD2      LEU  16   5.575   3.108   0.971
  121    H    HIS  17           H        HIS  17   1.511  -0.880  -2.158
  122    HA   HIS  17           HA       HIS  17   0.584   0.462  -4.510
  123   1HB   HIS  17          1HB       HIS  17   1.394  -1.844  -4.525
  124   2HB   HIS  17          2HB       HIS  17   0.051  -2.346  -3.485
  125    HD1  HIS  17           HD1      HIS  17   0.117  -0.218  -6.705
  126    HD2  HIS  17           HD2      HIS  17  -1.725  -3.640  -5.127
  127    HE1  HIS  17           HE1      HIS  17  -1.554  -1.043  -8.429
  128    H    LYS  18           H        LYS  18  -1.033  -0.664  -1.525
  129    HA   LYS  18           HA       LYS  18  -3.711  -0.320  -2.403
  130   1HB   LYS  18          1HB       LYS  18  -3.138  -1.660  -0.465
  131   2HB   LYS  18          2HB       LYS  18  -2.454  -0.259   0.368
  132   1HG   LYS  18          1HG       LYS  18  -4.600  -0.790   1.285
  133   2HG   LYS  18          2HG       LYS  18  -4.697   0.784   0.489
  134   1HD   LYS  18          1HD       LYS  18  -5.786  -0.261  -1.478
  135   2HD   LYS  18          2HD       LYS  18  -5.636  -1.862  -0.729
  136   1HE   LYS  18          1HE       LYS  18  -7.217   0.487   0.417
  137   2HE   LYS  18          2HE       LYS  18  -7.909  -0.853  -0.514
  138   1HZ   LYS  18          1HZ       LYS  18  -7.137  -2.352   1.170
  139   2HZ   LYS  18          2HZ       LYS  18  -6.529  -1.103   2.059
  140   3HZ   LYS  18          3HZ       LYS  18  -8.153  -1.217   1.802
  141    H    LEU  19           H        LEU  19  -1.423   1.864  -0.684
  142    HA   LEU  19           HA       LEU  19  -3.217   4.140  -0.691
  143   1HB   LEU  19          1HB       LEU  19  -0.212   3.857  -0.283
  144   2HB   LEU  19          2HB       LEU  19  -1.094   5.379  -0.088
  145    HG   LEU  19           HG       LEU  19  -1.700   2.843   1.489
  146   1HD1  LEU  19          1HD1      LEU  19   0.597   3.595   1.939
  147   2HD1  LEU  19          2HD1      LEU  19   0.011   5.243   2.256
  148   3HD1  LEU  19          3HD1      LEU  19  -0.448   3.908   3.335
  149   1HD2  LEU  19          1HD2      LEU  19  -2.505   5.761   1.901
  150   2HD2  LEU  19          2HD2      LEU  19  -3.594   4.421   1.477
  151   3HD2  LEU  19          3HD2      LEU  19  -2.805   4.447   3.055
  152    H    GLN  20           H        GLN  20  -0.020   4.140  -2.214
  153    HA   GLN  20           HA       GLN  20   0.800   4.679  -4.182
  154   1HB   GLN  20          1HB       GLN  20  -0.412   2.669  -4.761
  155   2HB   GLN  20          2HB       GLN  20  -1.835   3.593  -5.257
  156   1HG   GLN  20          1HG       GLN  20  -0.547   4.618  -7.081
  157   2HG   GLN  20          2HG       GLN  20   0.944   3.870  -6.480
  158   1HE2  GLN  20          2HE2      GLN  20  -2.383   2.998  -7.594
  159   2HE2  GLN  20          1HE2      GLN  20  -1.912   1.496  -8.360
  160    H    THR  21           H        THR  21  -2.571   5.555  -4.954
  161    HA   THR  21           HA       THR  21  -1.728   8.294  -5.722
  162    HB   THR  21           HB       THR  21  -2.902   7.241  -7.449
  163    HG1  THR  21           HG1      THR  21  -4.697   8.898  -6.024
  164   1HG2  THR  21          1HG2      THR  21  -5.089   6.441  -5.484
  165   2HG2  THR  21          2HG2      THR  21  -5.201   6.346  -7.247
  166   3HG2  THR  21          3HG2      THR  21  -4.011   5.363  -6.390
  167    H    TYR  22           H        TYR  22  -3.983   6.519  -3.597
  168    HA   TYR  22           HA       TYR  22  -5.399   7.187  -1.967
  169   1HB   TYR  22          1HB       TYR  22  -4.239   7.953   0.005
  170   2HB   TYR  22          2HB       TYR  22  -3.435   6.634  -0.821
  171    HD1  TYR  22           HD1      TYR  22  -3.036   9.992   0.495
  172    HD2  TYR  22           HD2      TYR  22  -1.323   7.029  -2.117
  173    HE1  TYR  22           HE1      TYR  22  -0.885  11.211   0.518
  174    HE2  TYR  22           HE2      TYR  22   0.832   8.243  -2.089
  175    HH   TYR  22           HH       TYR  22   1.983  10.077  -1.310
  176    HA   PRO  23           HA       PRO  23  -6.178  11.556  -3.367
  177   1HB   PRO  23          1HB       PRO  23  -8.655  11.269  -4.455
  178   2HB   PRO  23          2HB       PRO  23  -7.171  10.804  -5.336
  179   1HG   PRO  23          1HG       PRO  23  -8.973   8.977  -3.712
  180   2HG   PRO  23          2HG       PRO  23  -8.432   8.753  -5.402
  181   1HD   PRO  23          1HD       PRO  23  -7.138   7.570  -3.338
  182   2HD   PRO  23          2HD       PRO  23  -6.221   8.263  -4.710
  183    H    ARG  24           H        ARG  24  -7.619  13.096  -2.409
  184    HA   ARG  24           HA       ARG  24  -8.424  12.511   0.259
  185   1HB   ARG  24          1HB       ARG  24  -7.664  14.720  -0.405
  186   2HB   ARG  24          2HB       ARG  24  -8.975  14.878  -1.577
  187   1HG   ARG  24          1HG       ARG  24  -9.426  16.186   0.424
  188   2HG   ARG  24          2HG       ARG  24 -10.644  14.920   0.241
  189   1HD   ARG  24          1HD       ARG  24  -9.525  13.558   1.961
  190   2HD   ARG  24          2HD       ARG  24  -8.210  14.751   2.071
  191    HE   ARG  24           HE       ARG  24 -10.661  16.082   2.533
  192   1HH1  ARG  24          1HH2      ARG  24  -8.620  13.629   4.107
  193   2HH1  ARG  24          2HH2      ARG  24  -9.165  14.045   5.715
  194   1HH2  ARG  24          1HH1      ARG  24 -11.352  16.600   4.646
  195   2HH2  ARG  24          2HH1      ARG  24 -10.713  15.729   6.021
  196    H    THR  25           H        THR  25 -10.415  13.486  -2.589
  197    HA   THR  25           HA       THR  25 -12.861  12.417  -1.450
  198    HB   THR  25           HB       THR  25 -12.854  14.367  -2.943
  199    HG1  THR  25           HG1      THR  25 -14.582  13.612  -4.213
  200   1HG2  THR  25          1HG2      THR  25 -11.056  13.678  -4.549
  201   2HG2  THR  25          2HG2      THR  25 -12.141  12.427  -5.195
  202   3HG2  THR  25          3HG2      THR  25 -12.564  14.139  -5.354
  203    H    ASP  26           H        ASP  26 -13.967  10.548  -2.110
  204    HA   ASP  26           HA       ASP  26 -12.819   8.673  -4.017
  205   1HB   ASP  26          1HB       ASP  26 -11.372   8.267  -2.046
  206   2HB   ASP  26          2HB       ASP  26 -12.797   8.003  -1.038
  207    H    VAL  27           H        VAL  27 -14.949   8.844  -1.117
  208    HA   VAL  27           HA       VAL  27 -17.310   8.251  -2.722
  209    HB   VAL  27           HB       VAL  27 -16.354   6.013  -2.268
  210   1HG1  VAL  27          1HG1      VAL  27 -15.210   6.511  -0.099
  211   2HG1  VAL  27          2HG1      VAL  27 -16.797   6.605   0.692
  212   3HG1  VAL  27          3HG1      VAL  27 -16.252   5.082  -0.027
  213   1HG2  VAL  27          1HG2      VAL  27 -18.809   6.336  -2.450
  214   2HG2  VAL  27          2HG2      VAL  27 -18.361   4.971  -1.411
  215   3HG2  VAL  27          3HG2      VAL  27 -18.908   6.490  -0.681
  216    H    GLY  28           H        GLY  28 -19.218   8.883  -1.691
  217   1HA   GLY  28          1HA       GLY  28 -19.570   9.534   1.014
  218   2HA   GLY  28          2HA       GLY  28 -18.980  11.002   0.207
  219    H    ALA  29           H        ALA  29 -20.086  11.461  -1.946
  220    HA   ALA  29           HA       ALA  29 -21.832  12.054  -3.174
  221   1HB   ALA  29          1HB       ALA  29 -22.261   9.663  -3.438
  222   2HB   ALA  29          2HB       ALA  29 -23.329   9.663  -2.021
  223   3HB   ALA  29          3HB       ALA  29 -23.758  10.613  -3.452
  224    H    GLY  30           H        GLY  30 -23.644  10.908  -0.283
  225   1HA   GLY  30          1HA       GLY  30 -25.137  13.426  -0.098
  226   2HA   GLY  30          2HA       GLY  30 -25.308  11.974   0.898
  227    H    THR  31           H        THR  31 -22.936  14.569   0.191
  228    HA   THR  31           HA       THR  31 -22.559  15.159   3.004
  229    HB   THR  31           HB       THR  31 -21.062  13.239   2.760
  230    HG1  THR  31           HG1      THR  31 -20.371  14.940   4.050
  231   1HG2  THR  31          1HG2      THR  31 -20.612  13.361   0.302
  232   2HG2  THR  31          2HG2      THR  31 -19.589  14.788   0.582
  233   3HG2  THR  31          3HG2      THR  31 -19.142  13.227   1.279
  234    HA   PRO  32           HA       PRO  32 -21.956  19.044   0.857
  235   1HB   PRO  32          1HB       PRO  32 -21.014  20.652   2.859
  236   2HB   PRO  32          2HB       PRO  32 -22.700  20.070   2.774
  237   1HG   PRO  32          1HG       PRO  32 -20.430  18.893   4.393
  238   2HG   PRO  32          2HG       PRO  32 -22.083  19.285   4.942
  239   1HD   PRO  32          1HD       PRO  32 -21.382  16.769   4.208
  240   2HD   PRO  32          2HD       PRO  32 -22.998  17.418   3.809
  241    H1   NAG 300           H1       NAG   3   7.783 -17.318   2.706
  242    H2   NAG 300           H2       NAG   3   5.404 -17.537   4.606
  243    H3   NAG 300           H3       NAG   3   6.128 -19.364   2.280
  244    H4   NAG 300           H4       NAG   3   3.814 -17.432   2.662
  245    H5   NAG 300           H5       NAG   3   6.254 -17.311   0.820
  246   1H6   NAG 300          1H6       NAG   3   4.210 -16.391  -0.252
  247   2H6   NAG 300          2H6       NAG   3   5.399 -15.130   0.126
  248   1H8   NAG 300          1H8       NAG   3   8.000 -20.947   6.112
  249   2H8   NAG 300          2H8       NAG   3   9.341 -21.227   4.981
  250   3H8   NAG 300          3H8       NAG   3   9.359 -19.801   6.038
  251    HN2  NAG 300           HN2      NAG   3   6.800 -18.854   5.807
  252    HO4  NAG 300           HO4      NAG   3   4.634 -19.090   0.469
  253    HO3  NAG 300           HO3      NAG   3   4.089 -20.295   2.875
  254    HO6  NAG 300           HO6      NAG   3   3.270 -14.545   0.738
  255   1HN   NH2  33          1HN       NH2  33 -19.228  17.850   2.931
  256   2HN   NH2  33          2HN       NH2  33 -17.964  18.354   1.832
  Start of MODEL    7
    1   1H    CYS   1          1H        CYS   1   4.754 -17.453   6.410
    2   2H    CYS   1          2H        CYS   1   3.367 -17.117   7.234
    3   3H    CYS   1          3H        CYS   1   3.630 -16.440   5.753
    4    HA   CYS   1           HA       CYS   1   5.457 -15.202   6.545
    5   1HB   CYS   1          1HB       CYS   1   3.139 -14.290   6.639
    6   2HB   CYS   1          2HB       CYS   1   2.997 -14.858   8.297
    7    H    SER   2           H        SER   2   6.835 -17.025   7.345
    8    HA   SER   2           HA       SER   2   7.127 -16.981  10.321
    9   1HB   SER   2          1HB       SER   2   7.187 -19.430   8.506
   10   2HB   SER   2          2HB       SER   2   7.541 -19.407  10.249
   11    HG   SER   2           HG       SER   2   5.409 -18.616  10.564
   12    H    ASN   3           H        ASN   3   8.548 -15.251   9.090
   13    HA   ASN   3           HA       ASN   3  11.230 -15.895   9.602
   14   1HB   ASN   3          1HB       ASN   3  12.157 -15.602   7.259
   15   2HB   ASN   3          2HB       ASN   3  11.452 -17.168   7.617
   16   1HD2  ASN   3          1HD2      ASN   3   9.738 -17.907   6.440
   17    H    LEU   4           H        LEU   4   8.890 -13.862   7.897
   18    HA   LEU   4           HA       LEU   4   8.584 -11.659   7.760
   19   1HB   LEU   4          1HB       LEU   4  10.635 -11.295   9.979
   20   2HB   LEU   4          2HB       LEU   4   9.374 -10.176   9.473
   21    HG   LEU   4           HG       LEU   4   8.965 -12.888  10.810
   22   1HD1  LEU   4          1HD1      LEU   4   9.790 -11.092  12.288
   23   2HD1  LEU   4          2HD1      LEU   4   8.447 -10.046  11.774
   24   3HD1  LEU   4          3HD1      LEU   4   8.119 -11.541  12.677
   25   1HD2  LEU   4          1HD2      LEU   4   6.911 -10.854   9.829
   26   2HD2  LEU   4          2HD2      LEU   4   7.105 -12.533   9.273
   27   3HD2  LEU   4          3HD2      LEU   4   6.556 -12.211  10.920
   28    H    SER   5           H        SER   5   9.652 -12.250   5.680
   29    HA   SER   5           HA       SER   5  11.707 -10.239   5.069
   30   1HB   SER   5          1HB       SER   5  13.069 -12.205   5.623
   31   2HB   SER   5          2HB       SER   5  12.115 -13.217   4.524
   32    HG   SER   5           HG       SER   5  13.639 -10.933   3.802
   33    H    THR   6           H        THR   6  10.183 -13.134   3.548
   34    HA   THR   6           HA       THR   6   9.419 -11.744   1.130
   35    HB   THR   6           HB       THR   6   8.071 -13.800   0.731
   36    HG1  THR   6           HG1      THR   6   7.533 -14.276   2.867
   37   1HG2  THR   6          1HG2      THR   6  10.450 -13.774   0.081
   38   2HG2  THR   6          2HG2      THR   6  10.908 -14.359   1.694
   39   3HG2  THR   6          3HG2      THR   6   9.946 -15.388   0.617
   40    H    CYS   7           H        CYS   7   7.874 -12.572   4.228
   41    HA   CYS   7           HA       CYS   7   5.235 -11.695   3.633
   42   1HB   CYS   7          1HB       CYS   7   5.870 -13.221   5.442
   43   2HB   CYS   7          2HB       CYS   7   6.732 -11.922   6.270
   44    H    VAL   8           H        VAL   8   8.073 -10.069   5.120
   45    HA   VAL   8           HA       VAL   8   6.810  -7.576   5.685
   46    HB   VAL   8           HB       VAL   8   9.707  -8.404   5.264
   47   1HG1  VAL   8          1HG2      VAL   8   8.601  -5.712   6.173
   48   2HG1  VAL   8          2HG2      VAL   8  10.285  -6.237   6.385
   49   3HG1  VAL   8          3HG2      VAL   8   9.635  -6.026   4.758
   50   1HG2  VAL   8          1HG1      VAL   8   8.497  -9.323   7.258
   51   2HG2  VAL   8          2HG1      VAL   8   9.808  -8.220   7.707
   52   3HG2  VAL   8          3HG1      VAL   8   8.122  -7.669   7.768
   53    H    LEU   9           H        LEU   9   8.822  -8.660   2.896
   54    HA   LEU   9           HA       LEU   9   8.726  -6.314   1.379
   55   1HB   LEU   9          1HB       LEU   9  10.206  -8.221   1.047
   56   2HB   LEU   9          2HB       LEU   9   8.879  -9.220   0.454
   57    HG   LEU   9           HG       LEU   9   9.522  -6.570  -0.878
   58   1HD1  LEU   9          1HD1      LEU   9  10.973  -9.204  -1.368
   59   2HD1  LEU   9          2HD1      LEU   9  11.124  -7.740  -2.364
   60   3HD1  LEU   9          3HD1      LEU   9  11.682  -7.724  -0.684
   61   1HD2  LEU   9          1HD2      LEU   9   8.476  -9.244  -1.943
   62   2HD2  LEU   9          2HD2      LEU   9   7.508  -7.775  -1.720
   63   3HD2  LEU   9          3HD2      LEU   9   8.788  -7.803  -2.929
   64    H    GLY  10           H        GLY  10   6.516  -9.148   1.355
   65   1HA   GLY  10          1HA       GLY  10   4.741  -8.324  -0.666
   66   2HA   GLY  10          2HA       GLY  10   4.370  -9.417   0.677
   67    H    LYS  11           H        LYS  11   4.630  -7.781   2.897
   68    HA   LYS  11           HA       LYS  11   2.117  -6.523   2.959
   69   1HB   LYS  11          1HB       LYS  11   3.086  -7.458   4.948
   70   2HB   LYS  11          2HB       LYS  11   4.493  -6.394   4.847
   71   1HG   LYS  11          1HG       LYS  11   2.938  -5.663   6.583
   72   2HG   LYS  11          2HG       LYS  11   3.122  -4.429   5.336
   73   1HD   LYS  11          1HD       LYS  11   0.945  -5.137   4.328
   74   2HD   LYS  11          2HD       LYS  11   0.788  -6.385   5.582
   75   1HE   LYS  11          1HE       LYS  11   0.755  -4.625   7.319
   76   2HE   LYS  11          2HE       LYS  11   1.002  -3.380   6.078
   77   1HZ   LYS  11          1HZ       LYS  11  -1.076  -4.010   5.110
   78   2HZ   LYS  11          2HZ       LYS  11  -1.314  -5.166   6.262
   79   3HZ   LYS  11          3HZ       LYS  11  -1.280  -3.573   6.687
   80    H    LEU  12           H        LEU  12   5.415  -4.980   3.029
   81    HA   LEU  12           HA       LEU  12   4.337  -2.354   2.983
   82   1HB   LEU  12          1HB       LEU  12   6.555  -1.546   2.717
   83   2HB   LEU  12          2HB       LEU  12   6.497  -2.870   3.873
   84    HG   LEU  12           HG       LEU  12   7.219  -4.326   1.747
   85   1HD1  LEU  12          1HD1      LEU  12   7.213  -2.398   0.116
   86   2HD1  LEU  12          2HD1      LEU  12   8.408  -1.577   1.130
   87   3HD1  LEU  12          3HD1      LEU  12   8.818  -3.102   0.322
   88   1HD2  LEU  12          1HD2      LEU  12   8.467  -4.097   3.864
   89   2HD2  LEU  12          2HD2      LEU  12   9.556  -4.047   2.468
   90   3HD2  LEU  12          3HD2      LEU  12   9.126  -2.544   3.314
   91    H    SER  13           H        SER  13   5.282  -4.547   0.319
   92    HA   SER  13           HA       SER  13   5.121  -2.645  -1.785
   93   1HB   SER  13          1HB       SER  13   6.147  -4.844  -2.063
   94   2HB   SER  13          2HB       SER  13   4.583  -5.646  -1.797
   95    HG   SER  13           HG       SER  13   5.086  -5.384  -4.010
   96    H    GLN  14           H        GLN  14   2.670  -4.941  -0.494
   97    HA   GLN  14           HA       GLN  14   0.483  -4.169  -2.079
   98   1HB   GLN  14          1HB       GLN  14   0.535  -6.205  -0.816
   99   2HB   GLN  14          2HB       GLN  14   0.662  -5.357   0.724
  100   1HG   GLN  14          1HG       GLN  14  -1.722  -5.062  -1.154
  101   2HG   GLN  14          2HG       GLN  14  -1.620  -6.324   0.078
  102   1HE2  GLN  14          2HE2      GLN  14  -3.232  -3.608  -0.377
  103   2HE2  GLN  14          1HE2      GLN  14  -3.245  -2.937   1.239
  104    H    GLU  15           H        GLU  15   1.520  -2.970   1.141
  105    HA   GLU  15           HA       GLU  15  -0.664  -1.269   1.625
  106   1HB   GLU  15          1HB       GLU  15   0.842  -2.059   3.349
  107   2HB   GLU  15          2HB       GLU  15   2.210  -1.192   2.629
  108   1HG   GLU  15          1HG       GLU  15   1.169   0.964   3.118
  109   2HG   GLU  15          2HG       GLU  15  -0.306   0.161   3.687
  110    H    LEU  16           H        LEU  16   2.644  -0.394   0.480
  111    HA   LEU  16           HA       LEU  16   2.123   2.340   0.052
  112   1HB   LEU  16          1HB       LEU  16   4.137   0.454  -1.222
  113   2HB   LEU  16          2HB       LEU  16   4.179   2.207  -1.429
  114    HG   LEU  16           HG       LEU  16   4.327   0.877   1.316
  115   1HD1  LEU  16          1HD1      LEU  16   6.234   0.158  -0.096
  116   2HD1  LEU  16          2HD1      LEU  16   6.591   1.856  -0.475
  117   3HD1  LEU  16          3HD1      LEU  16   6.753   1.259   1.191
  118   1HD2  LEU  16          1HD2      LEU  16   4.992   3.692   0.344
  119   2HD2  LEU  16          2HD2      LEU  16   3.642   3.240   1.408
  120   3HD2  LEU  16          3HD2      LEU  16   5.305   3.063   1.974
  121    H    HIS  17           H        HIS  17   1.815  -0.451  -2.193
  122    HA   HIS  17           HA       HIS  17   1.161   1.053  -4.514
  123   1HB   HIS  17          1HB       HIS  17   1.776  -1.287  -4.647
  124   2HB   HIS  17          2HB       HIS  17   0.382  -1.760  -3.665
  125    HD1  HIS  17           HD1      HIS  17  -1.956  -1.798  -4.782
  126    HD2  HIS  17           HD2      HIS  17   1.117  -0.547  -7.344
  127    HE1  HIS  17           HE1      HIS  17  -2.911  -1.734  -7.137
  128    H    LYS  18           H        LYS  18  -0.937  -0.455  -2.000
  129    HA   LYS  18           HA       LYS  18  -3.376   0.132  -3.202
  130   1HB   LYS  18          1HB       LYS  18  -3.166  -1.507  -1.451
  131   2HB   LYS  18          2HB       LYS  18  -2.647  -0.286  -0.282
  132   1HG   LYS  18          1HG       LYS  18  -4.939  -0.931   0.115
  133   2HG   LYS  18          2HG       LYS  18  -4.876   0.771  -0.348
  134   1HD   LYS  18          1HD       LYS  18  -5.573   0.170  -2.663
  135   2HD   LYS  18          2HD       LYS  18  -5.614  -1.544  -2.207
  136   1HE   LYS  18          1HE       LYS  18  -7.322   0.674  -0.982
  137   2HE   LYS  18          2HE       LYS  18  -7.856  -0.458  -2.235
  138   1HZ   LYS  18          1HZ       LYS  18  -7.463  -2.246  -0.707
  139   2HZ   LYS  18          2HZ       LYS  18  -7.004  -1.189   0.473
  140   3HZ   LYS  18          3HZ       LYS  18  -8.550  -1.167  -0.096
  141    H    LEU  19           H        LEU  19  -1.756   1.977  -0.531
  142    HA   LEU  19           HA       LEU  19  -3.741   3.984  -0.431
  143   1HB   LEU  19          1HB       LEU  19  -2.247   5.206   1.012
  144   2HB   LEU  19          2HB       LEU  19  -2.285   3.489   1.392
  145    HG   LEU  19           HG       LEU  19  -0.089   3.429  -0.128
  146   1HD1  LEU  19          1HD1      LEU  19  -0.128   5.868  -0.747
  147   2HD1  LEU  19          2HD1      LEU  19  -0.063   6.279   0.973
  148   3HD1  LEU  19          3HD1      LEU  19   1.297   5.441   0.203
  149   1HD2  LEU  19          1HD2      LEU  19  -0.244   2.784   2.251
  150   2HD2  LEU  19          2HD2      LEU  19   1.227   3.722   1.948
  151   3HD2  LEU  19          3HD2      LEU  19  -0.171   4.492   2.727
  152    H    GLN  20           H        GLN  20  -0.878   3.700  -2.510
  153    HA   GLN  20           HA       GLN  20  -0.967   6.380  -3.529
  154   1HB   GLN  20          1HB       GLN  20   0.991   4.944  -3.646
  155   2HB   GLN  20          2HB       GLN  20   0.177   3.828  -4.746
  156   1HG   GLN  20          1HG       GLN  20   0.583   6.792  -5.361
  157   2HG   GLN  20          2HG       GLN  20   1.801   5.569  -5.729
  158   1HE2  GLN  20          2HE2      GLN  20   1.006   3.612  -7.029
  159   2HE2  GLN  20          1HE2      GLN  20  -0.065   3.970  -8.367
  160    H    THR  21           H        THR  21  -2.283   3.239  -4.726
  161    HA   THR  21           HA       THR  21  -3.888   4.563  -6.797
  162    HB   THR  21           HB       THR  21  -4.559   2.293  -7.386
  163    HG1  THR  21           HG1      THR  21  -2.988   1.504  -5.160
  164   1HG2  THR  21          1HG2      THR  21  -2.391   3.189  -8.237
  165   2HG2  THR  21          2HG2      THR  21  -1.558   2.369  -6.894
  166   3HG2  THR  21          3HG2      THR  21  -2.434   1.420  -8.106
  167    H    TYR  22           H        TYR  22  -4.553   5.570  -4.265
  168    HA   TYR  22           HA       TYR  22  -7.405   4.959  -4.203
  169   1HB   TYR  22          1HB       TYR  22  -6.509   3.241  -2.722
  170   2HB   TYR  22          2HB       TYR  22  -5.623   4.455  -1.803
  171    HD1  TYR  22           HD1      TYR  22  -8.960   5.682  -2.602
  172    HD2  TYR  22           HD2      TYR  22  -6.775   3.007  -0.006
  173    HE1  TYR  22           HE1      TYR  22 -10.794   5.762  -0.972
  174    HE2  TYR  22           HE2      TYR  22  -8.660   3.040   1.596
  175    HH   TYR  22           HH       TYR  22 -11.582   5.050   1.072
  176    HA   PRO  23           HA       PRO  23  -6.183   9.432  -3.793
  177   1HB   PRO  23          1HB       PRO  23  -8.936   9.490  -5.057
  178   2HB   PRO  23          2HB       PRO  23  -7.544  10.570  -5.356
  179   1HG   PRO  23          1HG       PRO  23  -8.086   8.573  -7.095
  180   2HG   PRO  23          2HG       PRO  23  -6.395   8.833  -6.562
  181   1HD   PRO  23          1HD       PRO  23  -8.384   6.801  -5.508
  182   2HD   PRO  23          2HD       PRO  23  -6.679   6.566  -5.997
  183    H    ARG  24           H        ARG  24  -6.486  10.256  -1.805
  184    HA   ARG  24           HA       ARG  24  -7.209  10.607   0.268
  185   1HB   ARG  24          1HB       ARG  24  -9.083  11.737  -0.946
  186   2HB   ARG  24          2HB       ARG  24 -10.086  10.307  -0.705
  187   1HG   ARG  24          1HG       ARG  24  -8.741  11.861   1.561
  188   2HG   ARG  24          2HG       ARG  24 -10.353  12.226   0.936
  189   1HD   ARG  24          1HD       ARG  24 -11.130   9.959   1.519
  190   2HD   ARG  24          2HD       ARG  24  -9.559   9.590   2.244
  191    HE   ARG  24           HE       ARG  24 -11.679  11.267   3.323
  192   1HH1  ARG  24          1HH2      ARG  24  -8.212  10.446   3.551
  193   2HH1  ARG  24          2HH2      ARG  24  -8.080  11.033   5.191
  194   1HH2  ARG  24          1HH1      ARG  24 -11.455  12.008   5.459
  195   2HH2  ARG  24          2HH1      ARG  24  -9.910  11.914   6.271
  196    H    THR  25           H        THR  25  -6.169   8.748   0.976
  197    HA   THR  25           HA       THR  25  -7.494   6.171   1.059
  198    HB   THR  25           HB       THR  25  -4.955   7.214   2.374
  199    HG1  THR  25           HG1      THR  25  -4.015   6.105   0.633
  200   1HG2  THR  25          1HG2      THR  25  -5.987   4.358   2.039
  201   2HG2  THR  25          2HG2      THR  25  -4.362   4.809   2.591
  202   3HG2  THR  25          3HG2      THR  25  -5.772   5.218   3.579
  203    H    ASP  26           H        ASP  26  -8.804   5.418   2.635
  204    HA   ASP  26           HA       ASP  26  -8.746   6.410   5.366
  205   1HB   ASP  26          1HB       ASP  26 -11.049   7.233   5.398
  206   2HB   ASP  26          2HB       ASP  26 -10.096   8.166   4.253
  207    H    VAL  27           H        VAL  27 -10.817   5.374   6.509
  208    HA   VAL  27           HA       VAL  27 -11.662   2.830   5.390
  209    HB   VAL  27           HB       VAL  27  -9.454   2.241   6.299
  210   1HG1  VAL  27          1HG1      VAL  27  -9.233   3.961   8.068
  211   2HG1  VAL  27          2HG1      VAL  27 -10.503   3.156   9.013
  212   3HG1  VAL  27          3HG1      VAL  27  -8.970   2.328   8.696
  213   1HG2  VAL  27          1HG2      VAL  27 -11.321   0.603   6.377
  214   2HG2  VAL  27          2HG2      VAL  27 -10.115   0.355   7.652
  215   3HG2  VAL  27          3HG2      VAL  27 -11.671   1.104   8.047
  216    H    GLY  28           H        GLY  28 -13.514   2.046   6.392
  217   1HA   GLY  28          1HA       GLY  28 -15.060   3.959   7.990
  218   2HA   GLY  28          2HA       GLY  28 -15.590   2.413   7.315
  219    H    ALA  29           H        ALA  29 -13.401   3.775   9.789
  220    HA   ALA  29           HA       ALA  29 -12.750   3.140  11.840
  221   1HB   ALA  29          1HB       ALA  29 -15.130   3.370  12.362
  222   2HB   ALA  29          2HB       ALA  29 -15.414   1.664  11.965
  223   3HB   ALA  29          3HB       ALA  29 -14.370   2.095  13.332
  224    H    GLY  30           H        GLY  30 -11.023   1.999  10.734
  225   1HA   GLY  30          1HA       GLY  30 -11.125  -0.894  10.380
  226   2HA   GLY  30          2HA       GLY  30  -9.728   0.181  10.217
  227    H    THR  31           H        THR  31 -11.934  -1.166  12.682
  228    HA   THR  31           HA       THR  31  -9.698  -1.406  14.661
  229    HB   THR  31           HB       THR  31 -11.382  -0.770  16.377
  230    HG1  THR  31           HG1      THR  31 -13.225   0.347  15.614
  231   1HG2  THR  31          1HG2      THR  31  -9.724   0.870  15.509
  232   2HG2  THR  31          2HG2      THR  31 -10.897   1.387  14.276
  233   3HG2  THR  31          3HG2      THR  31 -11.251   1.629  15.995
  234    HA   PRO  32           HA       PRO  32 -11.992  -5.418  14.060
  235   1HB   PRO  32          1HB       PRO  32  -9.940  -7.059  13.391
  236   2HB   PRO  32          2HB       PRO  32 -10.674  -5.930  12.222
  237   1HG   PRO  32          1HG       PRO  32  -8.162  -5.468  13.861
  238   2HG   PRO  32          2HG       PRO  32  -8.367  -5.288  12.095
  239   1HD   PRO  32          1HD       PRO  32  -8.573  -3.170  13.796
  240   2HD   PRO  32          2HD       PRO  32  -9.618  -3.311  12.350
  241    H1   NAG 300           H1       NAG   3   8.494 -16.178   4.379
  242    H2   NAG 300           H2       NAG   3  10.213 -18.653   3.853
  243    H3   NAG 300           H3       NAG   3   8.650 -16.949   1.871
  244    H4   NAG 300           H4       NAG   3   8.192 -19.798   2.829
  245    H5   NAG 300           H5       NAG   3   6.618 -17.228   3.344
  246   1H6   NAG 300          1H6       NAG   3   5.113 -19.177   3.126
  247   2H6   NAG 300          2H6       NAG   3   5.214 -18.632   4.810
  248   1H8   NAG 300          1H8       NAG   3  14.197 -16.437   2.899
  249   2H8   NAG 300          2H8       NAG   3  13.013 -15.479   1.989
  250   3H8   NAG 300          3H8       NAG   3  13.119 -15.321   3.759
  251    HN2  NAG 300           HN2      NAG   3  10.678 -15.763   3.329
  252    HO4  NAG 300           HO4      NAG   3   6.323 -19.578   1.506
  253    HO3  NAG 300           HO3      NAG   3  10.612 -17.923   1.090
  254    HO6  NAG 300           HO6      NAG   3   6.748 -20.301   5.164
  255   1HN   NH2  33          1HN       NH2  33 -11.339  -5.864  17.566
  256   2HN   NH2  33          2HN       NH2  33 -12.332  -5.014  16.398
  Start of MODEL    8
    1   1H    CYS   1          1H        CYS   1   4.400 -17.504   7.818
    2   2H    CYS   1          2H        CYS   1   3.357 -16.500   8.607
    3   3H    CYS   1          3H        CYS   1   3.387 -16.529   6.958
    4    HA   CYS   1           HA       CYS   1   5.583 -15.685   6.906
    5   1HB   CYS   1          1HB       CYS   1   3.641 -14.174   6.819
    6   2HB   CYS   1          2HB       CYS   1   3.680 -14.004   8.572
    7    H    SER   2           H        SER   2   6.491 -17.486   8.341
    8    HA   SER   2           HA       SER   2   7.145 -16.749  11.097
    9   1HB   SER   2          1HB       SER   2   6.653 -19.079  10.485
   10   2HB   SER   2          2HB       SER   2   8.013 -19.085   9.343
   11    HG   SER   2           HG       SER   2   8.175 -18.628  12.141
   12    H    ASN   3           H        ASN   3   8.816 -17.141   7.950
   13    HA   ASN   3           HA       ASN   3  11.428 -16.527   8.811
   14   1HB   ASN   3          1HB       ASN   3  11.923 -16.186   6.450
   15   2HB   ASN   3          2HB       ASN   3  10.963 -17.644   6.708
   16   1HD2  ASN   3          1HD2      ASN   3   8.741 -17.673   6.054
   17    H    LEU   4           H        LEU   4   8.747 -14.395   7.869
   18    HA   LEU   4           HA       LEU   4   8.458 -12.177   7.908
   19   1HB   LEU   4          1HB       LEU   4  10.634 -12.331  10.032
   20   2HB   LEU   4          2HB       LEU   4   9.671 -10.892   9.720
   21    HG   LEU   4           HG       LEU   4   8.277 -13.508  10.337
   22   1HD1  LEU   4          1HD1      LEU   4   9.413 -11.550  12.372
   23   2HD1  LEU   4          2HD1      LEU   4   8.304 -12.893  12.727
   24   3HD1  LEU   4          3HD1      LEU   4   9.936 -13.230  12.123
   25   1HD2  LEU   4          1HD2      LEU   4   6.975 -11.492   9.546
   26   2HD2  LEU   4          2HD2      LEU   4   6.537 -12.017  11.181
   27   3HD2  LEU   4          3HD2      LEU   4   7.579 -10.598  10.948
   28    H    SER   5           H        SER   5   9.515 -12.594   5.652
   29    HA   SER   5           HA       SER   5  11.475 -10.443   5.223
   30   1HB   SER   5          1HB       SER   5  12.923 -12.374   5.662
   31   2HB   SER   5          2HB       SER   5  12.076 -13.331   4.435
   32    HG   SER   5           HG       SER   5  13.469 -10.898   3.996
   33    H    THR   6           H        THR   6  10.241 -13.253   3.304
   34    HA   THR   6           HA       THR   6   9.799 -11.660   0.974
   35    HB   THR   6           HB       THR   6   8.604 -13.635   0.120
   36    HG1  THR   6           HG1      THR   6   8.980 -14.650   2.733
   37   1HG2  THR   6          1HG2      THR   6  11.095 -13.670   0.102
   38   2HG2  THR   6          2HG2      THR   6  11.080 -14.467   1.695
   39   3HG2  THR   6          3HG2      THR   6  10.386 -15.290   0.287
   40    H    CYS   7           H        CYS   7   7.583 -13.024   3.406
   41    HA   CYS   7           HA       CYS   7   5.172 -11.854   2.527
   42   1HB   CYS   7          1HB       CYS   7   4.425 -12.294   4.881
   43   2HB   CYS   7          2HB       CYS   7   5.078 -13.672   4.001
   44    H    VAL   8           H        VAL   8   7.699 -10.553   4.723
   45    HA   VAL   8           HA       VAL   8   6.198  -8.266   5.570
   46    HB   VAL   8           HB       VAL   8   9.178  -8.874   5.511
   47   1HG1  VAL   8          1HG1      VAL   8   7.713  -6.506   6.759
   48   2HG1  VAL   8          2HG1      VAL   8   9.386  -6.974   7.128
   49   3HG1  VAL   8          3HG1      VAL   8   8.966  -6.436   5.499
   50   1HG2  VAL   8          1HG2      VAL   8   7.729 -10.257   7.015
   51   2HG2  VAL   8          2HG2      VAL   8   8.852  -9.223   7.918
   52   3HG2  VAL   8          3HG2      VAL   8   7.139  -8.774   7.784
   53    H    LEU   9           H        LEU   9   8.762  -8.642   3.055
   54    HA   LEU   9           HA       LEU   9   8.619  -6.009   2.031
   55   1HB   LEU   9          1HB       LEU   9   9.377  -8.658   0.751
   56   2HB   LEU   9          2HB       LEU   9   9.603  -7.102  -0.053
   57    HG   LEU   9           HG       LEU   9  10.849  -7.724   2.662
   58   1HD1  LEU   9          1HD1      LEU   9  11.652  -9.359   0.991
   59   2HD1  LEU   9          2HD1      LEU   9  12.066  -8.031  -0.115
   60   3HD1  LEU   9          3HD1      LEU   9  12.926  -8.208   1.430
   61   1HD2  LEU   9          1HD2      LEU   9  11.456  -5.619   0.538
   62   2HD2  LEU   9          2HD2      LEU   9  10.731  -5.318   2.133
   63   3HD2  LEU   9          3HD2      LEU   9  12.396  -5.895   2.018
   64    H    GLY  10           H        GLY  10   6.758  -8.944   1.182
   65   1HA   GLY  10          1HA       GLY  10   5.328  -7.936  -1.038
   66   2HA   GLY  10          2HA       GLY  10   4.819  -9.241   0.047
   67    H    LYS  11           H        LYS  11   4.515  -7.972   2.476
   68    HA   LYS  11           HA       LYS  11   1.961  -6.798   2.260
   69   1HB   LYS  11          1HB       LYS  11   2.653  -8.007   4.238
   70   2HB   LYS  11          2HB       LYS  11   3.975  -6.873   4.538
   71   1HG   LYS  11          1HG       LYS  11   2.138  -6.469   6.064
   72   2HG   LYS  11          2HG       LYS  11   2.385  -5.069   5.020
   73   1HD   LYS  11          1HD       LYS  11   0.433  -5.776   3.624
   74   2HD   LYS  11          2HD       LYS  11   0.261  -7.230   4.624
   75   1HE   LYS  11          1HE       LYS  11  -1.370  -5.574   5.315
   76   2HE   LYS  11          2HE       LYS  11  -0.176  -5.772   6.610
   77   1HZ   LYS  11          1HZ       LYS  11  -0.212  -3.618   4.612
   78   2HZ   LYS  11          2HZ       LYS  11  -0.689  -3.484   6.184
   79   3HZ   LYS  11          3HZ       LYS  11   0.891  -3.779   5.827
   80    H    LEU  12           H        LEU  12   5.165  -5.296   2.959
   81    HA   LEU  12           HA       LEU  12   4.246  -2.626   3.215
   82   1HB   LEU  12          1HB       LEU  12   6.924  -3.774   2.351
   83   2HB   LEU  12          2HB       LEU  12   6.666  -2.064   2.714
   84    HG   LEU  12           HG       LEU  12   6.121  -4.285   4.730
   85   1HD1  LEU  12          1HD2      LEU  12   8.498  -4.309   4.068
   86   2HD1  LEU  12          2HD2      LEU  12   8.613  -2.566   4.393
   87   3HD1  LEU  12          3HD2      LEU  12   8.300  -3.704   5.722
   88   1HD2  LEU  12          1HD1      LEU  12   6.474  -1.269   5.033
   89   2HD2  LEU  12          2HD1      LEU  12   4.965  -2.178   5.269
   90   3HD2  LEU  12          3HD1      LEU  12   6.322  -2.425   6.371
   91    H    SER  13           H        SER  13   5.489  -4.411   0.371
   92    HA   SER  13           HA       SER  13   5.418  -2.296  -1.491
   93   1HB   SER  13          1HB       SER  13   6.572  -4.419  -1.888
   94   2HB   SER  13          2HB       SER  13   5.021  -5.282  -1.944
   95    HG   SER  13           HG       SER  13   4.471  -3.962  -3.734
   96    H    GLN  14           H        GLN  14   2.881  -4.715  -0.634
   97    HA   GLN  14           HA       GLN  14   0.967  -3.715  -2.495
   98   1HB   GLN  14          1HB       GLN  14   0.927  -6.000  -1.572
   99   2HB   GLN  14          2HB       GLN  14   0.581  -5.357   0.041
  100   1HG   GLN  14          1HG       GLN  14  -1.457  -6.195  -1.057
  101   2HG   GLN  14          2HG       GLN  14  -1.579  -4.466  -0.746
  102   1HE2  GLN  14          2HE2      GLN  14  -0.988  -6.931  -3.271
  103   2HE2  GLN  14          1HE2      GLN  14  -1.430  -5.917  -4.628
  104    H    GLU  15           H        GLU  15   1.719  -2.921   0.902
  105    HA   GLU  15           HA       GLU  15  -0.615  -1.435   1.496
  106   1HB   GLU  15          1HB       GLU  15   0.857  -2.306   3.199
  107   2HB   GLU  15          2HB       GLU  15   2.197  -1.290   2.645
  108   1HG   GLU  15          1HG       GLU  15   0.993   0.737   3.284
  109   2HG   GLU  15          2HG       GLU  15  -0.452  -0.210   3.685
  110    H    LEU  16           H        LEU  16   2.687  -0.240   0.566
  111    HA   LEU  16           HA       LEU  16   1.851   2.455   0.336
  112   1HB   LEU  16          1HB       LEU  16   3.994   2.920  -0.618
  113   2HB   LEU  16          2HB       LEU  16   4.121   1.807   0.738
  114    HG   LEU  16           HG       LEU  16   4.117  -0.044  -1.188
  115   1HD1  LEU  16          1HD1      LEU  16   3.836   1.568  -3.101
  116   2HD1  LEU  16          2HD1      LEU  16   5.322   2.386  -2.595
  117   3HD1  LEU  16          3HD1      LEU  16   5.376   0.710  -3.171
  118   1HD2  LEU  16          1HD2      LEU  16   6.522   1.689  -0.498
  119   2HD2  LEU  16          2HD2      LEU  16   5.913   0.322   0.458
  120   3HD2  LEU  16          3HD2      LEU  16   6.583   0.040  -1.156
  121    H    HIS  17           H        HIS  17   1.749  -0.217  -1.988
  122    HA   HIS  17           HA       HIS  17   1.240   1.326  -4.332
  123   1HB   HIS  17          1HB       HIS  17   1.978  -0.970  -4.419
  124   2HB   HIS  17          2HB       HIS  17   0.540  -1.527  -3.560
  125    HD1  HIS  17           HD1      HIS  17  -0.449   0.939  -6.097
  126    HD2  HIS  17           HD2      HIS  17   0.409  -3.162  -6.006
  127    HE1  HIS  17           HE1      HIS  17  -1.418  -0.093  -8.214
  128    H    LYS  18           H        LYS  18  -1.050  -0.460  -2.144
  129    HA   LYS  18           HA       LYS  18  -3.304   0.357  -3.592
  130   1HB   LYS  18          1HB       LYS  18  -4.651  -0.603  -1.938
  131   2HB   LYS  18          2HB       LYS  18  -3.213  -1.619  -2.129
  132   1HG   LYS  18          1HG       LYS  18  -2.267  -0.596  -0.069
  133   2HG   LYS  18          2HG       LYS  18  -3.754   0.325   0.165
  134   1HD   LYS  18          1HD       LYS  18  -3.503  -2.714   0.086
  135   2HD   LYS  18          2HD       LYS  18  -3.663  -1.724   1.541
  136   1HE   LYS  18          1HE       LYS  18  -5.772  -2.070  -0.638
  137   2HE   LYS  18          2HE       LYS  18  -5.801  -2.733   0.997
  138   1HZ   LYS  18          1HZ       LYS  18  -5.842  -0.498   1.846
  139   2HZ   LYS  18          2HZ       LYS  18  -5.869   0.116   0.315
  140   3HZ   LYS  18          3HZ       LYS  18  -7.129  -0.791   0.862
  141    H    LEU  19           H        LEU  19  -1.896   1.867  -0.621
  142    HA   LEU  19           HA       LEU  19  -4.043   3.725  -0.351
  143   1HB   LEU  19          1HB       LEU  19  -2.755   4.819   1.310
  144   2HB   LEU  19          2HB       LEU  19  -2.627   3.073   1.468
  145    HG   LEU  19           HG       LEU  19  -0.366   3.413   0.100
  146   1HD1  LEU  19          1HD1      LEU  19  -0.699   6.114   1.497
  147   2HD1  LEU  19          2HD1      LEU  19   0.788   5.502   0.748
  148   3HD1  LEU  19          3HD1      LEU  19  -0.607   5.893  -0.257
  149   1HD2  LEU  19          1HD2      LEU  19  -0.581   2.511   2.410
  150   2HD2  LEU  19          2HD2      LEU  19   0.811   3.597   2.271
  151   3HD2  LEU  19          3HD2      LEU  19  -0.684   4.164   3.041
  152    H    GLN  20           H        GLN  20  -1.075   3.795  -2.293
  153    HA   GLN  20           HA       GLN  20  -1.164   6.603  -2.900
  154   1HB   GLN  20          1HB       GLN  20   0.879   5.310  -3.047
  155   2HB   GLN  20          2HB       GLN  20   0.181   4.254  -4.287
  156   1HG   GLN  20          1HG       GLN  20   0.006   6.201  -5.832
  157   2HG   GLN  20          2HG       GLN  20   0.660   7.252  -4.563
  158   1HE2  GLN  20          2HE2      GLN  20   1.417   4.191  -6.339
  159   2HE2  GLN  20          1HE2      GLN  20   3.139   4.485  -6.456
  160    H    THR  21           H        THR  21  -1.947   3.698  -4.902
  161    HA   THR  21           HA       THR  21  -3.079   5.260  -7.014
  162    HB   THR  21           HB       THR  21  -3.720   3.044  -7.941
  163    HG1  THR  21           HG1      THR  21  -3.012   1.215  -6.771
  164   1HG2  THR  21          1HG2      THR  21  -1.451   4.032  -8.286
  165   2HG2  THR  21          2HG2      THR  21  -0.864   3.145  -6.863
  166   3HG2  THR  21          3HG2      THR  21  -1.442   2.263  -8.290
  167    H    TYR  22           H        TYR  22  -4.482   3.825  -4.120
  168    HA   TYR  22           HA       TYR  22  -7.148   4.915  -4.900
  169   1HB   TYR  22          1HB       TYR  22  -6.657   2.358  -3.355
  170   2HB   TYR  22          2HB       TYR  22  -8.203   3.112  -3.700
  171    HD1  TYR  22           HD1      TYR  22  -9.147   3.069  -6.002
  172    HD2  TYR  22           HD2      TYR  22  -5.404   1.154  -5.062
  173    HE1  TYR  22           HE1      TYR  22  -9.269   1.787  -8.120
  174    HE2  TYR  22           HE2      TYR  22  -5.506  -0.098  -7.200
  175    HH   TYR  22           HH       TYR  22  -6.717  -0.531  -9.104
  176    HA   PRO  23           HA       PRO  23  -5.731   6.845  -0.940
  177   1HB   PRO  23          1HB       PRO  23  -6.963   9.249  -1.171
  178   2HB   PRO  23          2HB       PRO  23  -5.510   8.826  -2.114
  179   1HG   PRO  23          1HG       PRO  23  -8.390   8.666  -3.032
  180   2HG   PRO  23          2HG       PRO  23  -7.012   9.434  -3.871
  181   1HD   PRO  23          1HD       PRO  23  -7.872   6.908  -4.430
  182   2HD   PRO  23          2HD       PRO  23  -6.134   7.331  -4.521
  183    H    ARG  24           H        ARG  24  -6.975   5.022  -0.143
  184    HA   ARG  24           HA       ARG  24  -9.425   5.647   1.286
  185   1HB   ARG  24          1HB       ARG  24 -10.274   5.265  -1.026
  186   2HB   ARG  24          2HB       ARG  24  -9.409   3.720  -1.079
  187   1HG   ARG  24          1HG       ARG  24 -10.829   2.881   0.791
  188   2HG   ARG  24          2HG       ARG  24 -11.635   4.455   0.879
  189   1HD   ARG  24          1HD       ARG  24 -13.012   2.862  -0.334
  190   2HD   ARG  24          2HD       ARG  24 -12.499   4.145  -1.426
  191    HE   ARG  24           HE       ARG  24 -11.590   1.307  -1.329
  192   1HH1  ARG  24          1HH2      ARG  24 -11.337   4.435  -3.042
  193   2HH1  ARG  24          2HH2      ARG  24 -10.609   3.705  -4.451
  194   1HH2  ARG  24          1HH1      ARG  24 -10.638   0.425  -3.172
  195   2HH2  ARG  24          2HH1      ARG  24 -10.210   1.444  -4.527
  196    H    THR  25           H        THR  25  -9.287   4.456   3.122
  197    HA   THR  25           HA       THR  25  -7.180   2.600   3.610
  198    HB   THR  25           HB       THR  25  -9.740   3.154   5.175
  199    HG1  THR  25           HG1      THR  25  -7.132   4.249   5.347
  200   1HG2  THR  25          1HG2      THR  25  -7.088   1.902   6.030
  201   2HG2  THR  25          2HG2      THR  25  -8.406   2.373   7.124
  202   3HG2  THR  25          3HG2      THR  25  -8.659   1.072   5.949
  203    H    ASP  26           H        ASP  26 -10.720   2.178   3.177
  204    HA   ASP  26           HA       ASP  26 -10.693  -0.680   3.390
  205   1HB   ASP  26          1HB       ASP  26 -12.772   1.241   2.269
  206   2HB   ASP  26          2HB       ASP  26 -13.035  -0.473   2.627
  207    H    VAL  27           H        VAL  27  -9.306  -1.600   1.966
  208    HA   VAL  27           HA       VAL  27  -8.474  -2.523   0.170
  209    HB   VAL  27           HB       VAL  27  -9.882  -3.504  -1.410
  210   1HG1  VAL  27          1HG1      VAL  27 -10.068  -4.283   0.942
  211   2HG1  VAL  27          2HG1      VAL  27 -11.495  -3.249   1.158
  212   3HG1  VAL  27          3HG1      VAL  27 -11.536  -4.575  -0.013
  213   1HG2  VAL  27          1HG2      VAL  27 -11.237  -1.463  -2.091
  214   2HG2  VAL  27          2HG2      VAL  27 -12.117  -2.988  -1.936
  215   3HG2  VAL  27          3HG2      VAL  27 -12.260  -1.776  -0.667
  216    H    GLY  28           H        GLY  28  -8.238  -2.497  -2.336
  217   1HA   GLY  28          1HA       GLY  28  -8.394  -0.196  -3.890
  218   2HA   GLY  28          2HA       GLY  28  -6.889  -0.049  -2.955
  219    H    ALA  29           H        ALA  29  -5.141  -0.908  -3.967
  220    HA   ALA  29           HA       ALA  29  -5.312  -2.769  -6.174
  221   1HB   ALA  29          1HB       ALA  29  -3.507  -1.113  -6.005
  222   2HB   ALA  29          2HB       ALA  29  -2.929  -1.868  -4.507
  223   3HB   ALA  29          3HB       ALA  29  -2.871  -2.771  -6.032
  224    H    GLY  30           H        GLY  30  -4.670  -2.973  -2.667
  225   1HA   GLY  30          1HA       GLY  30  -4.184  -5.865  -2.664
  226   2HA   GLY  30          2HA       GLY  30  -4.319  -4.772  -1.278
  227    H    THR  31           H        THR  31  -6.290  -6.102  -3.957
  228    HA   THR  31           HA       THR  31  -8.808  -5.713  -2.632
  229    HB   THR  31           HB       THR  31  -8.120  -7.371  -5.079
  230    HG1  THR  31           HG1      THR  31  -8.857  -4.654  -4.766
  231   1HG2  THR  31          1HG2      THR  31 -10.740  -6.122  -4.121
  232   2HG2  THR  31          2HG2      THR  31 -10.485  -6.934  -5.680
  233   3HG2  THR  31          3HG2      THR  31 -10.378  -7.862  -4.175
  234    HA   PRO  32           HA       PRO  32  -8.420  -9.489  -0.113
  235   1HB   PRO  32          1HB       PRO  32 -11.435  -9.202  -0.188
  236   2HB   PRO  32          2HB       PRO  32 -10.393  -9.635   1.201
  237   1HG   PRO  32          1HG       PRO  32 -11.297  -7.100   0.951
  238   2HG   PRO  32          2HG       PRO  32  -9.575  -7.379   1.352
  239   1HD   PRO  32          1HD       PRO  32 -10.770  -6.716  -1.351
  240   2HD   PRO  32          2HD       PRO  32  -9.313  -6.057  -0.543
  241    H1   NAG 300           H1       NAG   3   8.020 -15.612   4.025
  242    H2   NAG 300           H2       NAG   3   8.428 -18.621   3.662
  243    H3   NAG 300           H3       NAG   3   7.400 -16.700   1.548
  244    H4   NAG 300           H4       NAG   3   5.853 -18.793   3.119
  245    H5   NAG 300           H5       NAG   3   5.865 -15.743   3.217
  246   1H6   NAG 300          1H6       NAG   3   3.539 -16.599   3.416
  247   2H6   NAG 300          2H6       NAG   3   4.135 -15.917   4.937
  248   1H8   NAG 300          1H8       NAG   3  11.978 -17.201   1.341
  249   2H8   NAG 300          2H8       NAG   3  12.296 -16.290   2.838
  250   3H8   NAG 300          3H8       NAG   3  12.938 -17.934   2.643
  251    HN2  NAG 300           HN2      NAG   3   9.706 -16.435   2.089
  252    HO4  NAG 300           HO4      NAG   3   4.115 -17.881   1.914
  253    HO3  NAG 300           HO3      NAG   3   7.010 -18.720   0.493
  254    HO6  NAG 300           HO6      NAG   3   4.612 -18.072   5.599
  255   1HN   NH2  33          1HN       NH2  33  -8.587 -11.729  -0.488
  256   2HN   NH2  33          2HN       NH2  33  -9.346 -12.415  -1.908
  Start of MODEL    9
    1   1H    CYS   1          1H        CYS   1   2.870 -16.185   6.948
    2   2H    CYS   1          2H        CYS   1   2.382 -15.252   8.218
    3   3H    CYS   1          3H        CYS   1   2.461 -14.608   6.701
    4    HA   CYS   1           HA       CYS   1   4.810 -14.864   6.631
    5   1HB   CYS   1          1HB       CYS   1   3.688 -13.334   8.992
    6   2HB   CYS   1          2HB       CYS   1   5.380 -13.253   8.497
    7    H    SER   2           H        SER   2   5.323 -17.096   6.941
    8    HA   SER   2           HA       SER   2   6.027 -18.107   9.581
    9   1HB   SER   2          1HB       SER   2   5.569 -19.628   7.707
   10   2HB   SER   2          2HB       SER   2   6.906 -18.927   6.774
   11    HG   SER   2           HG       SER   2   7.116 -20.224   9.292
   12    H    ASN   3           H        ASN   3   7.763 -16.757   6.763
   13    HA   ASN   3           HA       ASN   3  10.218 -16.206   8.251
   14   1HB   ASN   3          1HB       ASN   3  11.062 -15.425   6.140
   15   2HB   ASN   3          2HB       ASN   3  10.195 -16.934   5.857
   16   1HD2  ASN   3          1HD2      ASN   3   7.985 -16.789   4.998
   17    H    LEU   4           H        LEU   4  11.133 -13.892   7.725
   18    HA   LEU   4           HA       LEU   4   9.145 -11.728   8.009
   19   1HB   LEU   4          1HB       LEU   4  10.382 -10.745   9.870
   20   2HB   LEU   4          2HB       LEU   4   9.564 -12.236  10.306
   21    HG   LEU   4           HG       LEU   4  12.467 -12.452   9.493
   22   1HD1  LEU   4          1HD1      LEU   4  11.525 -11.388  12.186
   23   2HD1  LEU   4          2HD1      LEU   4  13.184 -11.881  11.783
   24   3HD1  LEU   4          3HD1      LEU   4  12.456 -10.487  10.968
   25   1HD2  LEU   4          1HD2      LEU   4  10.796 -13.778  11.679
   26   2HD2  LEU   4          2HD2      LEU   4  11.202 -14.510  10.116
   27   3HD2  LEU   4          3HD2      LEU   4  12.482 -14.156  11.279
   28    H    SER   5           H        SER   5  10.238 -12.188   5.681
   29    HA   SER   5           HA       SER   5  12.105  -9.946   5.301
   30   1HB   SER   5          1HB       SER   5  13.665 -11.370   3.959
   31   2HB   SER   5          2HB       SER   5  13.673 -11.725   5.694
   32    HG   SER   5           HG       SER   5  12.482 -13.223   3.620
   33    H    THR   6           H        THR   6  10.853 -12.770   3.450
   34    HA   THR   6           HA       THR   6  10.059 -11.170   1.169
   35    HB   THR   6           HB       THR   6   9.384 -14.005   2.021
   36    HG1  THR   6           HG1      THR   6  10.991 -14.497   0.500
   37   1HG2  THR   6          1HG2      THR   6   9.045 -12.617  -0.677
   38   2HG2  THR   6          2HG2      THR   6   8.813 -14.351  -0.374
   39   3HG2  THR   6          3HG2      THR   6   7.724 -13.172   0.374
   40    H    CYS   7           H        CYS   7   8.523 -12.451   4.113
   41    HA   CYS   7           HA       CYS   7   5.850 -11.616   3.827
   42   1HB   CYS   7          1HB       CYS   7   6.542 -12.915   5.731
   43   2HB   CYS   7          2HB       CYS   7   7.793 -11.746   6.142
   44    H    VAL   8           H        VAL   8   8.674  -9.811   5.168
   45    HA   VAL   8           HA       VAL   8   7.272  -7.436   5.724
   46    HB   VAL   8           HB       VAL   8  10.239  -7.929   5.246
   47   1HG1  VAL   8          1HG2      VAL   8   8.818  -5.520   6.461
   48   2HG1  VAL   8          2HG2      VAL   8  10.563  -5.831   6.561
   49   3HG1  VAL   8          3HG2      VAL   8   9.816  -5.533   4.989
   50   1HG2  VAL   8          1HG1      VAL   8   9.234  -9.211   7.141
   51   2HG2  VAL   8          2HG1      VAL   8  10.349  -7.960   7.706
   52   3HG2  VAL   8          3HG1      VAL   8   8.596  -7.697   7.809
   53    H    LEU   9           H        LEU   9   9.366  -8.228   2.895
   54    HA   LEU   9           HA       LEU   9   8.974  -5.828   1.453
   55   1HB   LEU   9          1HB       LEU   9   9.486  -8.684   0.552
   56   2HB   LEU   9          2HB       LEU   9   9.541  -7.301  -0.545
   57    HG   LEU   9           HG       LEU   9  11.305  -7.486   1.939
   58   1HD1  LEU   9          1HD1      LEU   9  11.940  -8.289  -0.930
   59   2HD1  LEU   9          2HD1      LEU   9  13.099  -8.217   0.415
   60   3HD1  LEU   9          3HD1      LEU   9  11.776  -9.394   0.451
   61   1HD2  LEU   9          1HD2      LEU   9  11.458  -5.778  -0.585
   62   2HD2  LEU   9          2HD2      LEU   9  11.068  -5.198   1.049
   63   3HD2  LEU   9          3HD2      LEU   9  12.680  -5.831   0.701
   64    H    GLY  10           H        GLY  10   7.016  -8.816   1.569
   65   1HA   GLY  10          1HA       GLY  10   5.157  -8.220  -0.471
   66   2HA   GLY  10          2HA       GLY  10   4.893  -9.272   0.930
   67    H    LYS  11           H        LYS  11   5.076  -7.520   3.067
   68    HA   LYS  11           HA       LYS  11   2.490  -6.314   3.073
   69   1HB   LYS  11          1HB       LYS  11   4.846  -6.204   4.986
   70   2HB   LYS  11          2HB       LYS  11   3.309  -5.412   5.322
   71   1HG   LYS  11          1HG       LYS  11   3.497  -8.375   4.663
   72   2HG   LYS  11          2HG       LYS  11   3.707  -7.785   6.307
   73   1HD   LYS  11          1HD       LYS  11   1.208  -6.976   4.793
   74   2HD   LYS  11          2HD       LYS  11   1.368  -8.626   5.395
   75   1HE   LYS  11          1HE       LYS  11   0.172  -7.298   7.012
   76   2HE   LYS  11          2HE       LYS  11   1.722  -7.820   7.688
   77   1HZ   LYS  11          1HZ       LYS  11   1.163  -5.171   6.552
   78   2HZ   LYS  11          2HZ       LYS  11   1.213  -5.535   8.160
   79   3HZ   LYS  11          3HZ       LYS  11   2.580  -5.651   7.249
   80    H    LEU  12           H        LEU  12   5.793  -4.938   2.770
   81    HA   LEU  12           HA       LEU  12   4.985  -2.191   2.817
   82   1HB   LEU  12          1HB       LEU  12   7.391  -3.610   1.619
   83   2HB   LEU  12          2HB       LEU  12   7.231  -1.852   1.679
   84    HG   LEU  12           HG       LEU  12   7.138  -3.600   4.170
   85   1HD1  LEU  12          1HD1      LEU  12   9.309  -3.882   3.032
   86   2HD1  LEU  12          2HD1      LEU  12   9.503  -2.118   2.947
   87   3HD1  LEU  12          3HD1      LEU  12   9.492  -2.940   4.522
   88   1HD2  LEU  12          1HD2      LEU  12   7.578  -0.607   3.768
   89   2HD2  LEU  12          2HD2      LEU  12   6.153  -1.367   4.510
   90   3HD2  LEU  12          3HD2      LEU  12   7.721  -1.467   5.314
   91    H    SER  13           H        SER  13   5.487  -4.524   0.149
   92    HA   SER  13           HA       SER  13   4.945  -2.736  -1.994
   93   1HB   SER  13          1HB       SER  13   6.055  -4.907  -2.279
   94   2HB   SER  13          2HB       SER  13   4.564  -5.755  -1.816
   95    HG   SER  13           HG       SER  13   4.816  -5.571  -4.079
   96    H    GLN  14           H        GLN  14   2.815  -4.923  -0.109
   97    HA   GLN  14           HA       GLN  14   0.400  -4.473  -1.500
   98   1HB   GLN  14          1HB       GLN  14   0.783  -6.311   0.073
   99   2HB   GLN  14          2HB       GLN  14   0.900  -5.170   1.424
  100   1HG   GLN  14          1HG       GLN  14  -1.454  -4.470   1.032
  101   2HG   GLN  14          2HG       GLN  14  -1.562  -5.609  -0.321
  102   1HE2  GLN  14          2HE2      GLN  14  -1.067  -7.966   0.241
  103   2HE2  GLN  14          1HE2      GLN  14  -1.618  -8.548   1.797
  104    H    GLU  15           H        GLU  15   1.774  -2.851   1.405
  105    HA   GLU  15           HA       GLU  15  -0.313  -1.004   1.849
  106   1HB   GLU  15          1HB       GLU  15   1.376  -1.530   3.506
  107   2HB   GLU  15          2HB       GLU  15   2.662  -0.866   2.483
  108   1HG   GLU  15          1HG       GLU  15   1.713   1.385   2.669
  109   2HG   GLU  15          2HG       GLU  15   0.307   0.751   3.542
  110    H    LEU  16           H        LEU  16   2.704  -0.713  -0.098
  111    HA   LEU  16           HA       LEU  16   2.425   1.993  -0.764
  112   1HB   LEU  16          1HB       LEU  16   4.510   0.747  -0.980
  113   2HB   LEU  16          2HB       LEU  16   3.793  -0.318  -2.195
  114    HG   LEU  16           HG       LEU  16   3.582   1.577  -3.764
  115   1HD1  LEU  16          1HD1      LEU  16   4.965   3.167  -1.550
  116   2HD1  LEU  16          2HD1      LEU  16   4.807   3.709  -3.233
  117   3HD1  LEU  16          3HD1      LEU  16   3.359   3.482  -2.247
  118   1HD2  LEU  16          1HD2      LEU  16   5.598   0.156  -3.767
  119   2HD2  LEU  16          2HD2      LEU  16   5.984   1.824  -4.230
  120   3HD2  LEU  16          3HD2      LEU  16   6.375   1.245  -2.596
  121    H    HIS  17           H        HIS  17   1.360  -0.961  -2.521
  122    HA   HIS  17           HA       HIS  17   0.198   0.377  -4.755
  123   1HB   HIS  17          1HB       HIS  17   0.832  -1.980  -4.782
  124   2HB   HIS  17          2HB       HIS  17  -0.332  -2.348  -3.503
  125    HD1  HIS  17           HD1      HIS  17  -2.812  -2.598  -4.145
  126    HD2  HIS  17           HD2      HIS  17  -0.365  -1.463  -7.354
  127    HE1  HIS  17           HE1      HIS  17  -4.198  -2.805  -6.266
  128    H    LYS  18           H        LYS  18  -1.182  -0.777  -1.655
  129    HA   LYS  18           HA       LYS  18  -3.895  -0.292  -2.234
  130   1HB   LYS  18          1HB       LYS  18  -3.153  -1.757  -0.461
  131   2HB   LYS  18          2HB       LYS  18  -2.375  -0.409   0.393
  132   1HG   LYS  18          1HG       LYS  18  -4.542   0.616   0.857
  133   2HG   LYS  18          2HG       LYS  18  -5.360  -0.547  -0.196
  134   1HD   LYS  18          1HD       LYS  18  -5.654  -1.088   2.194
  135   2HD   LYS  18          2HD       LYS  18  -4.856  -2.385   1.296
  136   1HE   LYS  18          1HE       LYS  18  -3.857  -2.015   3.531
  137   2HE   LYS  18          2HE       LYS  18  -2.682  -1.780   2.235
  138   1HZ   LYS  18          1HZ       LYS  18  -4.124   0.349   3.656
  139   2HZ   LYS  18          2HZ       LYS  18  -2.547  -0.077   3.889
  140   3HZ   LYS  18          3HZ       LYS  18  -3.020   0.579   2.453
  141    H    LEU  19           H        LEU  19  -1.597   1.720  -0.298
  142    HA   LEU  19           HA       LEU  19  -3.467   3.922  -0.063
  143   1HB   LEU  19          1HB       LEU  19  -0.479   3.794   0.480
  144   2HB   LEU  19          2HB       LEU  19  -1.591   5.082   0.974
  145    HG   LEU  19           HG       LEU  19  -1.650   2.184   1.922
  146   1HD1  LEU  19          1HD1      LEU  19   0.260   3.514   2.772
  147   2HD1  LEU  19          2HD1      LEU  19  -0.870   4.750   3.364
  148   3HD1  LEU  19          3HD1      LEU  19  -0.892   3.116   4.060
  149   1HD2  LEU  19          1HD2      LEU  19  -3.372   4.575   2.718
  150   2HD2  LEU  19          2HD2      LEU  19  -3.933   3.061   1.967
  151   3HD2  LEU  19          3HD2      LEU  19  -3.294   3.044   3.613
  152    H    GLN  20           H        GLN  20  -0.236   3.790  -1.601
  153    HA   GLN  20           HA       GLN  20   0.628   4.597  -3.465
  154   1HB   GLN  20          1HB       GLN  20  -1.251   3.432  -4.517
  155   2HB   GLN  20          2HB       GLN  20  -2.206   4.915  -4.538
  156   1HG   GLN  20          1HG       GLN  20   0.508   4.558  -5.881
  157   2HG   GLN  20          2HG       GLN  20  -1.046   4.339  -6.688
  158   1HE2  GLN  20          2HE2      GLN  20   1.380   6.475  -6.572
  159   2HE2  GLN  20          1HE2      GLN  20   0.507   7.979  -6.770
  160    H    THR  21           H        THR  21  -2.252   6.726  -2.999
  161    HA   THR  21           HA       THR  21  -0.863   9.052  -3.834
  162    HB   THR  21           HB       THR  21  -3.281   8.769  -3.992
  163    HG1  THR  21           HG1      THR  21  -2.452  10.963  -2.407
  164   1HG2  THR  21          1HG2      THR  21  -3.730   7.708  -1.750
  165   2HG2  THR  21          2HG2      THR  21  -3.426   9.286  -0.988
  166   3HG2  THR  21          3HG2      THR  21  -4.771   9.092  -2.119
  167    H    TYR  22           H        TYR  22  -1.516   7.735  -0.550
  168    HA   TYR  22           HA       TYR  22  -0.471   9.997   0.827
  169   1HB   TYR  22          1HB       TYR  22  -2.031   8.547   1.886
  170   2HB   TYR  22          2HB       TYR  22  -0.965   7.165   1.766
  171    HD1  TYR  22           HD1      TYR  22  -1.350  10.542   3.319
  172    HD2  TYR  22           HD2      TYR  22   0.745   6.773   3.443
  173    HE1  TYR  22           HE1      TYR  22  -0.317  11.182   5.478
  174    HE2  TYR  22           HE2      TYR  22   1.775   7.417   5.596
  175    HH   TYR  22           HH       TYR  22   1.104  10.563   7.178
  176    HA   PRO  23           HA       PRO  23   3.716   7.730   1.259
  177   1HB   PRO  23          1HB       PRO  23   4.304   5.468  -0.156
  178   2HB   PRO  23          2HB       PRO  23   3.437   5.422   1.407
  179   1HG   PRO  23          1HG       PRO  23   2.201   5.433  -1.368
  180   2HG   PRO  23          2HG       PRO  23   1.909   4.255  -0.050
  181   1HD   PRO  23          1HD       PRO  23   0.239   6.314  -0.393
  182   2HD   PRO  23          2HD       PRO  23   0.774   5.871   1.253
  183    H    ARG  24           H        ARG  24   5.654   7.902  -0.076
  184    HA   ARG  24           HA       ARG  24   5.232   9.481  -2.505
  185   1HB   ARG  24          1HB       ARG  24   7.763   8.627  -1.044
  186   2HB   ARG  24          2HB       ARG  24   7.674   9.705  -2.452
  187   1HG   ARG  24          1HG       ARG  24   6.230  11.269  -1.143
  188   2HG   ARG  24          2HG       ARG  24   6.379  10.203   0.264
  189   1HD   ARG  24          1HD       ARG  24   7.925  12.018   0.510
  190   2HD   ARG  24          2HD       ARG  24   8.849  10.541   0.252
  191    HE   ARG  24           HE       ARG  24   8.428  12.831  -1.615
  192   1HH1  ARG  24          1HH2      ARG  24  10.102   9.712  -1.081
  193   2HH1  ARG  24          2HH2      ARG  24  11.204   9.985  -2.410
  194   1HH2  ARG  24          1HH1      ARG  24   9.898  13.120  -3.307
  195   2HH2  ARG  24          2HH1      ARG  24  11.091  11.888  -3.659
  196    H    THR  25           H        THR  25   4.279   7.931  -3.898
  197    HA   THR  25           HA       THR  25   5.726   5.515  -4.680
  198    HB   THR  25           HB       THR  25   3.318   6.883  -5.943
  199    HG1  THR  25           HG1      THR  25   2.866   6.302  -3.838
  200   1HG2  THR  25          1HG2      THR  25   4.373   4.018  -6.130
  201   2HG2  THR  25          2HG2      THR  25   2.864   4.616  -6.848
  202   3HG2  THR  25          3HG2      THR  25   4.420   5.214  -7.442
  203    H    ASP  26           H        ASP  26   7.760   6.551  -5.144
  204    HA   ASP  26           HA       ASP  26   7.960   8.645  -7.113
  205   1HB   ASP  26          1HB       ASP  26  10.113   6.890  -5.871
  206   2HB   ASP  26          2HB       ASP  26  10.372   8.408  -6.743
  207    H    VAL  27           H        VAL  27   8.329   8.503  -9.258
  208    HA   VAL  27           HA       VAL  27   8.189   6.038 -10.702
  209    HB   VAL  27           HB       VAL  27   9.099   8.818 -11.568
  210   1HG1  VAL  27          1HG1      VAL  27   8.274   6.387 -13.217
  211   2HG1  VAL  27          2HG1      VAL  27   8.551   8.019 -13.858
  212   3HG1  VAL  27          3HG1      VAL  27   9.896   7.111 -13.158
  213   1HG2  VAL  27          1HG2      VAL  27   6.393   7.425 -11.776
  214   2HG2  VAL  27          2HG2      VAL  27   6.772   8.820 -10.743
  215   3HG2  VAL  27          3HG2      VAL  27   6.807   8.991 -12.501
  216    H    GLY  28           H        GLY  28  10.894   8.353 -10.117
  217   1HA   GLY  28          1HA       GLY  28  12.946   6.364 -10.837
  218   2HA   GLY  28          2HA       GLY  28  13.182   8.040 -10.322
  219    H    ALA  29           H        ALA  29  14.890   6.563  -9.117
  220    HA   ALA  29           HA       ALA  29  13.951   5.225  -6.703
  221   1HB   ALA  29          1HB       ALA  29  16.737   5.974  -7.673
  222   2HB   ALA  29          2HB       ALA  29  16.361   4.955  -6.265
  223   3HB   ALA  29          3HB       ALA  29  15.912   4.417  -7.896
  224    H    GLY  30           H        GLY  30  12.911   6.670  -5.341
  225   1HA   GLY  30          1HA       GLY  30  12.944   8.066  -3.503
  226   2HA   GLY  30          2HA       GLY  30  14.583   8.604  -3.893
  227    H    THR  31           H        THR  31  14.456   9.638  -6.372
  228    HA   THR  31           HA       THR  31  12.836  12.036  -6.131
  229    HB   THR  31           HB       THR  31  14.693  11.042  -8.330
  230    HG1  THR  31           HG1      THR  31  15.701  11.424  -6.331
  231   1HG2  THR  31          1HG2      THR  31  13.529  13.819  -7.822
  232   2HG2  THR  31          2HG2      THR  31  14.759  13.412  -9.033
  233   3HG2  THR  31          3HG2      THR  31  13.121  12.759  -9.192
  234    HA   PRO  32           HA       PRO  32   9.592   9.973  -8.567
  235   1HB   PRO  32          1HB       PRO  32   7.696  11.907  -8.628
  236   2HB   PRO  32          2HB       PRO  32   8.173  11.114  -7.107
  237   1HG   PRO  32          1HG       PRO  32   9.202  13.760  -8.171
  238   2HG   PRO  32          2HG       PRO  32   8.527  13.419  -6.551
  239   1HD   PRO  32          1HD       PRO  32  11.215  13.408  -7.051
  240   2HD   PRO  32          2HD       PRO  32  10.475  12.270  -5.886
  241    H1   NAG 300           H1       NAG   3   7.632 -14.440   3.173
  242    H2   NAG 300           H2       NAG   3   6.979 -17.408   2.822
  243    H3   NAG 300           H3       NAG   3   6.668 -15.095   0.872
  244    H4   NAG 300           H4       NAG   3   4.566 -16.745   2.323
  245    H5   NAG 300           H5       NAG   3   5.403 -13.823   2.665
  246   1H6   NAG 300          1H6       NAG   3   2.975 -14.119   2.993
  247   2H6   NAG 300          2H6       NAG   3   3.806 -13.788   4.521
  248   1H8   NAG 300          1H8       NAG   3  11.387 -16.443   1.774
  249   2H8   NAG 300          2H8       NAG   3  11.545 -18.205   1.938
  250   3H8   NAG 300          3H8       NAG   3  10.771 -17.515   0.495
  251    HN2  NAG 300           HN2      NAG   3   8.886 -15.928   1.106
  252    HO4  NAG 300           HO4      NAG   3   3.165 -15.244   1.283
  253    HO3  NAG 300           HO3      NAG   3   5.624 -16.765  -0.357
  254    HO6  NAG 300           HO6      NAG   3   2.300 -15.517   4.678
  255   1HN   NH2  33          1HN       NH2  33  11.073  11.091 -11.697
  256   2HN   NH2  33          2HN       NH2  33  11.412  10.097 -10.295
  Start of MODEL   10
    1   1H    CYS   1          1H        CYS   1   3.938 -17.027   6.781
    2   2H    CYS   1          2H        CYS   1   2.952 -16.579   8.025
    3   3H    CYS   1          3H        CYS   1   2.751 -15.910   6.531
    4    HA   CYS   1           HA       CYS   1   4.859 -14.872   6.631
    5   1HB   CYS   1          1HB       CYS   1   2.764 -13.755   7.433
    6   2HB   CYS   1          2HB       CYS   1   3.166 -14.254   9.072
    7    H    SER   2           H        SER   2   5.894 -17.184   7.226
    8    HA   SER   2           HA       SER   2   6.823 -17.455   9.969
    9   1HB   SER   2          1HB       SER   2   7.530 -18.975   7.423
   10   2HB   SER   2          2HB       SER   2   7.966 -19.442   9.080
   11    HG   SER   2           HG       SER   2   5.338 -19.141   8.052
   12    H    ASN   3           H        ASN   3   8.235 -16.583   6.795
   13    HA   ASN   3           HA       ASN   3  10.942 -16.581   7.553
   14   1HB   ASN   3          1HB       ASN   3   9.540 -14.957   5.395
   15   2HB   ASN   3          2HB       ASN   3  11.280 -15.273   5.485
   16   1HD2  ASN   3          1HD2      ASN   3  10.016 -15.863   3.214
   17    H    LEU   4           H        LEU   4   8.549 -13.924   7.536
   18    HA   LEU   4           HA       LEU   4   8.596 -11.774   8.171
   19   1HB   LEU   4          1HB       LEU   4  10.906 -12.455  10.036
   20   2HB   LEU   4          2HB       LEU   4   9.818 -11.071  10.125
   21    HG   LEU   4           HG       LEU   4   9.037 -13.991  10.553
   22   1HD1  LEU   4          1HD1      LEU   4  10.407 -13.034  12.366
   23   2HD1  LEU   4          2HD1      LEU   4   9.283 -11.663  12.500
   24   3HD1  LEU   4          3HD1      LEU   4   8.736 -13.308  12.891
   25   1HD2  LEU   4          1HD2      LEU   4   7.376 -11.437  10.759
   26   2HD2  LEU   4          2HD2      LEU   4   7.140 -12.771   9.607
   27   3HD2  LEU   4          3HD2      LEU   4   6.864 -13.040  11.331
   28    H    SER   5           H        SER   5   9.651 -12.274   5.815
   29    HA   SER   5           HA       SER   5  11.631 -10.165   5.424
   30   1HB   SER   5          1HB       SER   5  13.112 -12.057   5.948
   31   2HB   SER   5          2HB       SER   5  12.292 -13.073   4.750
   32    HG   SER   5           HG       SER   5  13.666 -10.643   4.231
   33    H    THR   6           H        THR   6  10.380 -13.086   3.699
   34    HA   THR   6           HA       THR   6   9.670 -11.682   1.293
   35    HB   THR   6           HB       THR   6   8.388 -13.711   0.771
   36    HG1  THR   6           HG1      THR   6   9.025 -14.437   3.431
   37   1HG2  THR   6          1HG2      THR   6  10.850 -13.728   0.411
   38   2HG2  THR   6          2HG2      THR   6  11.077 -14.429   2.028
   39   3HG2  THR   6          3HG2      THR   6  10.204 -15.335   0.779
   40    H    CYS   7           H        CYS   7   7.952 -12.611   4.278
   41    HA   CYS   7           HA       CYS   7   5.365 -11.663   3.645
   42   1HB   CYS   7          1HB       CYS   7   5.884 -13.167   5.500
   43   2HB   CYS   7          2HB       CYS   7   6.819 -11.902   6.304
   44    H    VAL   8           H        VAL   8   8.168 -10.053   5.231
   45    HA   VAL   8           HA       VAL   8   6.854  -7.610   5.834
   46    HB   VAL   8           HB       VAL   8   9.792  -8.311   5.465
   47   1HG1  VAL   8          1HG2      VAL   8   8.521  -5.775   6.584
   48   2HG1  VAL   8          2HG2      VAL   8  10.226  -6.229   6.788
   49   3HG1  VAL   8          3HG2      VAL   8   9.597  -5.898   5.172
   50   1HG2  VAL   8          1HG1      VAL   8   8.598  -9.478   7.328
   51   2HG2  VAL   8          2HG1      VAL   8   9.806  -8.331   7.924
   52   3HG2  VAL   8          3HG1      VAL   8   8.083  -7.905   7.962
   53    H    LEU   9           H        LEU   9   9.009  -8.493   3.085
   54    HA   LEU   9           HA       LEU   9   8.854  -6.038   1.692
   55   1HB   LEU   9          1HB       LEU   9   9.307  -8.894   0.770
   56   2HB   LEU   9          2HB       LEU   9   9.469  -7.505  -0.308
   57    HG   LEU   9           HG       LEU   9  11.074  -7.740   2.274
   58   1HD1  LEU   9          1HD1      LEU   9  11.565  -9.684   0.827
   59   2HD1  LEU   9          2HD1      LEU   9  11.861  -8.593  -0.544
   60   3HD1  LEU   9          3HD1      LEU   9  12.931  -8.557   0.875
   61   1HD2  LEU   9          1HD2      LEU   9  11.449  -6.076  -0.256
   62   2HD2  LEU   9          2HD2      LEU   9  10.969  -5.457   1.338
   63   3HD2  LEU   9          3HD2      LEU   9  12.578  -6.148   1.111
   64    H    GLY  10           H        GLY  10   6.818  -8.988   1.433
   65   1HA   GLY  10          1HA       GLY  10   5.141  -8.148  -0.679
   66   2HA   GLY  10          2HA       GLY  10   4.742  -9.326   0.582
   67    H    LYS  11           H        LYS  11   4.838  -7.748   2.877
   68    HA   LYS  11           HA       LYS  11   2.245  -6.637   2.923
   69   1HB   LYS  11          1HB       LYS  11   3.298  -7.641   4.860
   70   2HB   LYS  11          2HB       LYS  11   4.569  -6.405   4.862
   71   1HG   LYS  11          1HG       LYS  11   2.920  -4.663   5.404
   72   2HG   LYS  11          2HG       LYS  11   1.600  -5.824   5.222
   73   1HD   LYS  11          1HD       LYS  11   2.133  -5.398   7.587
   74   2HD   LYS  11          2HD       LYS  11   2.348  -7.096   7.148
   75   1HE   LYS  11          1HE       LYS  11   4.140  -6.242   8.638
   76   2HE   LYS  11          2HE       LYS  11   4.777  -6.844   7.106
   77   1HZ   LYS  11          1HZ       LYS  11   4.288  -4.024   7.771
   78   2HZ   LYS  11          2HZ       LYS  11   5.758  -4.771   7.745
   79   3HZ   LYS  11          3HZ       LYS  11   4.907  -4.582   6.347
   80    H    LEU  12           H        LEU  12   5.458  -4.950   3.151
   81    HA   LEU  12           HA       LEU  12   4.254  -2.368   3.148
   82   1HB   LEU  12          1HB       LEU  12   6.452  -1.459   3.041
   83   2HB   LEU  12          2HB       LEU  12   6.372  -2.814   4.160
   84    HG   LEU  12           HG       LEU  12   7.287  -4.188   2.054
   85   1HD1  LEU  12          1HD1      LEU  12   7.308  -2.231   0.466
   86   2HD1  LEU  12          2HD1      LEU  12   8.398  -1.381   1.571
   87   3HD1  LEU  12          3HD1      LEU  12   8.926  -2.871   0.765
   88   1HD2  LEU  12          1HD2      LEU  12   8.390  -3.964   4.253
   89   2HD2  LEU  12          2HD2      LEU  12   9.562  -3.832   2.932
   90   3HD2  LEU  12          3HD2      LEU  12   9.014  -2.371   3.782
   91    H    SER  13           H        SER  13   5.427  -4.443   0.489
   92    HA   SER  13           HA       SER  13   5.307  -2.490  -1.579
   93   1HB   SER  13          1HB       SER  13   6.439  -4.628  -1.864
   94   2HB   SER  13          2HB       SER  13   4.907  -5.510  -1.670
   95    HG   SER  13           HG       SER  13   5.487  -3.604  -3.691
   96    H    GLN  14           H        GLN  14   2.887  -4.907  -0.447
   97    HA   GLN  14           HA       GLN  14   0.766  -4.144  -2.123
   98   1HB   GLN  14          1HB       GLN  14   0.775  -6.233  -0.895
   99   2HB   GLN  14          2HB       GLN  14   0.792  -5.387   0.656
  100   1HG   GLN  14          1HG       GLN  14  -1.441  -6.291   0.083
  101   2HG   GLN  14          2HG       GLN  14  -1.453  -4.545   0.327
  102   1HE2  GLN  14          2HE2      GLN  14  -0.866  -6.869  -2.400
  103   2HE2  GLN  14          1HE2      GLN  14  -1.862  -6.014  -3.558
  104    H    GLU  15           H        GLU  15   1.696  -2.923   1.138
  105    HA   GLU  15           HA       GLU  15  -0.539  -1.259   1.533
  106   1HB   GLU  15          1HB       GLU  15   1.013  -1.888   3.320
  107   2HB   GLU  15          2HB       GLU  15   2.322  -0.987   2.543
  108   1HG   GLU  15          1HG       GLU  15   1.365   0.280   4.406
  109   2HG   GLU  15          2HG       GLU  15   1.132   1.133   2.884
  110    H    LEU  16           H        LEU  16   2.687  -0.494   0.109
  111    HA   LEU  16           HA       LEU  16   2.200   2.232  -0.415
  112   1HB   LEU  16          1HB       LEU  16   3.995   0.173  -1.737
  113   2HB   LEU  16          2HB       LEU  16   4.016   1.873  -2.209
  114    HG   LEU  16           HG       LEU  16   4.464   1.029   0.681
  115   1HD1  LEU  16          1HD1      LEU  16   6.146  -0.102  -0.741
  116   2HD1  LEU  16          2HD1      LEU  16   6.550   1.451  -1.502
  117   3HD1  LEU  16          3HD1      LEU  16   6.881   1.188   0.224
  118   1HD2  LEU  16          1HD2      LEU  16   5.206   3.536  -0.892
  119   2HD2  LEU  16          2HD2      LEU  16   3.929   3.422   0.335
  120   3HD2  LEU  16          3HD2      LEU  16   5.620   3.214   0.803
  121    H    HIS  17           H        HIS  17   1.506  -0.674  -2.408
  122    HA   HIS  17           HA       HIS  17   0.565   0.746  -4.709
  123   1HB   HIS  17          1HB       HIS  17  -0.183  -2.030  -3.711
  124   2HB   HIS  17          2HB       HIS  17  -0.449  -1.391  -5.334
  125    HD1  HIS  17           HD1      HIS  17   2.653  -0.035  -5.116
  126    HD2  HIS  17           HD2      HIS  17   1.441  -4.045  -4.967
  127    HE1  HIS  17           HE1      HIS  17   4.657  -1.458  -5.762
  128    H    LYS  18           H        LYS  18  -1.053  -0.510  -1.779
  129    HA   LYS  18           HA       LYS  18  -3.716  -0.141  -2.574
  130   1HB   LYS  18          1HB       LYS  18  -2.900  -1.535  -0.716
  131   2HB   LYS  18          2HB       LYS  18  -2.542  -0.083   0.237
  132   1HG   LYS  18          1HG       LYS  18  -4.970   0.549   0.072
  133   2HG   LYS  18          2HG       LYS  18  -5.278  -0.979  -0.765
  134   1HD   LYS  18          1HD       LYS  18  -4.251  -0.568   2.080
  135   2HD   LYS  18          2HD       LYS  18  -5.841  -1.172   1.600
  136   1HE   LYS  18          1HE       LYS  18  -3.162  -2.600   1.282
  137   2HE   LYS  18          2HE       LYS  18  -4.487  -3.020   2.369
  138   1HZ   LYS  18          1HZ       LYS  18  -5.846  -3.467   0.458
  139   2HZ   LYS  18          2HZ       LYS  18  -4.599  -3.102  -0.559
  140   3HZ   LYS  18          3HZ       LYS  18  -4.484  -4.398   0.451
  141    H    LEU  19           H        LEU  19  -1.652   2.010  -0.514
  142    HA   LEU  19           HA       LEU  19  -3.608   4.096  -0.407
  143   1HB   LEU  19          1HB       LEU  19  -1.909   5.424   0.665
  144   2HB   LEU  19          2HB       LEU  19  -1.954   3.782   1.294
  145    HG   LEU  19           HG       LEU  19   0.035   3.343  -0.381
  146   1HD1  LEU  19          1HD1      LEU  19   0.241   6.363   0.000
  147   2HD1  LEU  19          2HD1      LEU  19   1.530   5.310  -0.614
  148   3HD1  LEU  19          3HD1      LEU  19   0.059   5.528  -1.555
  149   1HD2  LEU  19          1HD2      LEU  19   0.169   3.231   2.075
  150   2HD2  LEU  19          2HD2      LEU  19   1.616   3.993   1.399
  151   3HD2  LEU  19          3HD2      LEU  19   0.358   4.995   2.154
  152    H    GLN  20           H        GLN  20  -1.441   3.181  -2.945
  153    HA   GLN  20           HA       GLN  20  -1.456   5.826  -4.223
  154   1HB   GLN  20          1HB       GLN  20   0.540   4.417  -4.238
  155   2HB   GLN  20          2HB       GLN  20  -0.327   3.149  -5.120
  156   1HG   GLN  20          1HG       GLN  20  -0.551   4.577  -7.070
  157   2HG   GLN  20          2HG       GLN  20  -0.010   5.991  -6.148
  158   1HE2  GLN  20          2HE2      GLN  20   1.128   2.636  -6.913
  159   2HE2  GLN  20          1HE2      GLN  20   2.787   3.094  -7.233
  160    H    THR  21           H        THR  21  -3.456   2.954  -4.169
  161    HA   THR  21           HA       THR  21  -4.464   2.962  -6.793
  162    HB   THR  21           HB       THR  21  -5.892   2.185  -4.213
  163    HG1  THR  21           HG1      THR  21  -5.041   0.144  -4.708
  164   1HG2  THR  21          1HG2      THR  21  -6.339   1.328  -7.103
  165   2HG2  THR  21          2HG2      THR  21  -7.121   0.611  -5.679
  166   3HG2  THR  21          3HG2      THR  21  -7.455   2.294  -6.111
  167    H    TYR  22           H        TYR  22  -5.771   4.578  -3.837
  168    HA   TYR  22           HA       TYR  22  -8.050   5.534  -5.227
  169   1HB   TYR  22          1HB       TYR  22  -7.264   6.748  -2.597
  170   2HB   TYR  22          2HB       TYR  22  -8.833   6.380  -3.265
  171    HD1  TYR  22           HD1      TYR  22  -9.333   3.809  -3.719
  172    HD2  TYR  22           HD2      TYR  22  -6.255   5.243  -1.059
  173    HE1  TYR  22           HE1      TYR  22  -9.206   1.575  -2.656
  174    HE2  TYR  22           HE2      TYR  22  -6.162   3.022   0.028
  175    HH   TYR  22           HH       TYR  22  -8.206   0.278  -1.043
  176    HA   PRO  23           HA       PRO  23  -5.701   9.825  -5.424
  177   1HB   PRO  23          1HB       PRO  23  -2.906   8.704  -5.447
  178   2HB   PRO  23          2HB       PRO  23  -3.478  10.287  -4.842
  179   1HG   PRO  23          1HG       PRO  23  -2.886   8.326  -3.098
  180   2HG   PRO  23          2HG       PRO  23  -4.391   9.271  -2.873
  181   1HD   PRO  23          1HD       PRO  23  -4.081   6.587  -4.243
  182   2HD   PRO  23          2HD       PRO  23  -5.198   7.033  -2.933
  183    H    ARG  24           H        ARG  24  -4.414   6.767  -6.690
  184    HA   ARG  24           HA       ARG  24  -4.326   5.846  -8.696
  185   1HB   ARG  24          1HB       ARG  24  -6.471   7.020  -9.195
  186   2HB   ARG  24          2HB       ARG  24  -5.552   8.343  -9.921
  187   1HG   ARG  24          1HG       ARG  24  -4.460   6.552 -11.442
  188   2HG   ARG  24          2HG       ARG  24  -5.692   5.444 -10.816
  189   1HD   ARG  24          1HD       ARG  24  -6.472   6.374 -12.904
  190   2HD   ARG  24          2HD       ARG  24  -7.448   7.082 -11.599
  191    HE   ARG  24           HE       ARG  24  -5.166   8.733 -12.153
  192   1HH1  ARG  24          1HH2      ARG  24  -8.301   7.842 -13.583
  193   2HH1  ARG  24          2HH2      ARG  24  -8.455   9.349 -14.454
  194   1HH2  ARG  24          1HH1      ARG  24  -5.398  10.682 -13.293
  195   2HH2  ARG  24          2HH1      ARG  24  -6.807  10.963 -14.292
  196    H    THR  25           H        THR  25  -3.681   9.276  -9.575
  197    HA   THR  25           HA       THR  25  -1.329   8.437 -11.092
  198    HB   THR  25           HB       THR  25  -2.535  11.209 -10.742
  199    HG1  THR  25           HG1      THR  25  -3.646  10.665 -12.649
  200   1HG2  THR  25          1HG2      THR  25  -0.838   9.961 -12.962
  201   2HG2  THR  25          2HG2      THR  25  -1.524  11.597 -12.973
  202   3HG2  THR  25          3HG2      THR  25  -0.262  11.178 -11.806
  203    H    ASP  26           H        ASP  26  -0.442   7.695  -8.931
  204    HA   ASP  26           HA       ASP  26   0.910   7.782  -7.197
  205   1HB   ASP  26          1HB       ASP  26   2.422   8.329  -9.064
  206   2HB   ASP  26          2HB       ASP  26   2.347  10.035  -8.646
  207    H    VAL  27           H        VAL  27   1.408  11.234  -7.461
  208    HA   VAL  27           HA       VAL  27   1.392  12.809  -5.949
  209    HB   VAL  27           HB       VAL  27  -0.425  13.224  -7.392
  210   1HG1  VAL  27          1HG1      VAL  27  -1.950  11.288  -6.767
  211   2HG1  VAL  27          2HG1      VAL  27  -2.430  12.253  -5.344
  212   3HG1  VAL  27          3HG1      VAL  27  -2.715  12.868  -6.969
  213   1HG2  VAL  27          1HG2      VAL  27   0.176  14.862  -5.654
  214   2HG2  VAL  27          2HG2      VAL  27  -1.546  14.938  -6.065
  215   3HG2  VAL  27          3HG2      VAL  27  -1.032  14.156  -4.559
  216    H    GLY  28           H        GLY  28  -1.293  10.941  -4.407
  217   1HA   GLY  28          1HA       GLY  28  -0.142  11.436  -1.733
  218   2HA   GLY  28          2HA       GLY  28  -1.660  10.622  -2.137
  219    H    ALA  29           H        ALA  29   1.775  10.162  -3.082
  220    HA   ALA  29           HA       ALA  29   2.096   7.616  -1.783
  221   1HB   ALA  29          1HB       ALA  29   0.660   6.953  -3.733
  222   2HB   ALA  29          2HB       ALA  29   1.876   7.627  -4.828
  223   3HB   ALA  29          3HB       ALA  29   2.267   6.229  -3.802
  224    H    GLY  30           H        GLY  30   4.195   6.707  -3.553
  225   1HA   GLY  30          1HA       GLY  30   6.344   8.397  -2.635
  226   2HA   GLY  30          2HA       GLY  30   6.455   6.919  -3.598
  227    H    THR  31           H        THR  31   5.555  10.373  -3.843
  228    HA   THR  31           HA       THR  31   5.687  10.543  -6.667
  229    HB   THR  31           HB       THR  31   5.917  12.807  -4.646
  230    HG1  THR  31           HG1      THR  31   4.066  11.503  -4.365
  231   1HG2  THR  31          1HG2      THR  31   5.043  12.736  -7.564
  232   2HG2  THR  31          2HG2      THR  31   4.922  14.133  -6.476
  233   3HG2  THR  31          3HG2      THR  31   6.515  13.510  -6.932
  234    HA   PRO  32           HA       PRO  32  10.164  12.323  -5.959
  235   1HB   PRO  32          1HB       PRO  32  10.982  10.471  -3.718
  236   2HB   PRO  32          2HB       PRO  32  11.572  12.121  -4.076
  237   1HG   PRO  32          1HG       PRO  32   9.768  11.749  -2.098
  238   2HG   PRO  32          2HG       PRO  32   9.513  13.080  -3.270
  239   1HD   PRO  32          1HD       PRO  32   8.290  10.308  -3.310
  240   2HD   PRO  32          2HD       PRO  32   7.473  11.891  -3.438
  241    H1   NAG 300           H1       NAG   3   9.783 -18.852   3.173
  242    H2   NAG 300           H2       NAG   3   8.428 -16.771   1.390
  243    H3   NAG 300           H3       NAG   3   8.136 -19.796   1.539
  244    H4   NAG 300           H4       NAG   3   9.268 -17.948  -0.602
  245    H5   NAG 300           H5       NAG   3  10.716 -19.895   1.258
  246   1H6   NAG 300          1H6       NAG   3  11.785 -19.711  -0.968
  247   2H6   NAG 300          2H6       NAG   3  12.768 -18.962   0.309
  248   1H8   NAG 300          1H8       NAG   3   4.875 -18.123   4.179
  249   2H8   NAG 300          2H8       NAG   3   5.708 -18.796   5.597
  250   3H8   NAG 300          3H8       NAG   3   5.934 -17.086   5.159
  251    HN2  NAG 300           HN2      NAG   3   6.742 -16.734   2.870
  252    HO4  NAG 300           HO4      NAG   3   9.175 -20.803  -0.360
  253    HO3  NAG 300           HO3      NAG   3   6.795 -19.392  -0.318
  254    HO6  NAG 300           HO6      NAG   3  12.598 -17.647  -1.563
  255   1HN   NH2  33          1HN       NH2  33  12.000   9.741  -7.608
  256   2HN   NH2  33          2HN       NH2  33  11.971  11.415  -7.096