*HEADER    HORMONE/GROWTH FACTOR                   27-OCT-98   1BZB              
*TITLE     GLYCOSYLATED EEL CALCITONIN                                           
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: CALCITONIN;                                                
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES;                                                     
*COMPND   5 OTHER_DETAILS: SYNTHETICALLY GLYCOSYLATED AT ASN3                    
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THIS SEQUENCE OCCURS NATURALLY IN ANGUILLA            
*SOURCE   4 JAPONICA (JAPANESE EEL)                                              
*KEYWDS    HORMONE, CALCIUM-REGULATOR, OSTEOPOROSIS                              
*EXPDTA    NMR, 10 STRUCTURES                                                    
*AUTHOR    Y.HASHIMOTO, K.TOMA, J.NISHIKIDO, K.YAMAMOTO, K.HANEDA,               
*AUTHOR   2 T.INAZU, K.VALENTINE, S.J.OPELLA                                     
*REVDAT   2   29-DEC-99 1BZB    4       HEADER COMPND REMARK JRNL                
*REVDAT   2 2                   4       ATOM   SOURCE SEQRES                     
*REVDAT   1   11-NOV-98 1BZB    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:ADMA_1K:C5         R
1:ADMA_1K:C1         R
1:ADMA_1K:C2         S
1:ADMA_1K:C3         S
1:ADMA_1K:C4         S
1:ADMA_1J:C5         R
1:ADMA_1J:C1         S
1:ADMA_1J:C2         S
1:ADMA_1J:C3         S
1:ADMA_1J:C4         S
1:ADMA_1B:C5         R
1:ADMA_1B:C1         S
1:ADMA_1B:C2         S
1:ADMA_1B:C3         S
1:ADMA_1B:C4         R
1:ADMA_1E:C5         R
1:ADMA_1E:C1         R
1:ADMA_1E:C2         S
1:ADMA_1E:C3         S
1:ADMA_1E:C4         S
1:ADMA_1D:C5         R
1:ADMA_1D:C1         R
1:ADMA_1D:C2         S
1:ADMA_1D:C3         S
1:ADMA_1D:C4         S
1:BDMA_1C:C5         R
1:BDMA_1C:C1         S
1:BDMA_1C:C2         S
1:BDMA_1C:C3         S
1:BDMA_1C:C4         S
1:BDGL_1F:C5         R
1:BDGL_1F:C1         S
1:BDGL_1F:C2         R
1:BDGL_1F:C3         R
1:BDGL_1F:C4         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  3.800  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  6.000  1.00  1.00 1000.000
1:SER_5:HA         1:THR_6:HN          1.800  5.000  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:LEU_9:HN          1.800  5.000  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  3.800  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:CYS_7:HA         1:CYS_7:HB*         1.800  3.900  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: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: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  5.000  1.00  1.00 1000.000         
1:ADMA_1D:H1       1:ADMA_1E:H1        1.800  5.000  1.00  1.00 1000.000
1:ADMA_1D:H1       1:BDMA_1C:H2        1.800  5.000  1.00  1.00 1000.000
1:ADMA_1D:H2       1:ADMA_1E:H1        1.800  3.800  1.00  1.00 1000.000
1:ADMA_1K:H1       1:ADMA_1B:H1        1.800  5.000  1.00  1.00 1000.000
1:ADMA_1D:H1       1:BDMA_1C:H1        1.800  5.000  1.00  1.00 1000.000
!
#mixing_times
-9.990000E+02 
!
#NMR_dihedral
1:ADMA_1B:H1       1:ADMA_1B:C1       1:ADMA_1B:C2       1:ADMA_1B:H2       -110.000 -10.000 30.00 30.00 1000.000
1:ADMA_1J:H1       1:ADMA_1J:C1       1:ADMA_1J:C2       1:ADMA_1J:H2       -110.000 -10.000 30.00 30.00 1000.000
1:ADMA_1D:H1       1:ADMA_1D:C1       1:ADMA_1D:C2       1:ADMA_1D:H2       -110.000 -10.000 30.00 30.00 1000.000
1:ADMA_1K:H1       1:ADMA_1K:C1       1:ADMA_1K:C2       1:ADMA_1K:H2       -110.000 -10.000 30.00 30.00 1000.000
1:ADMA_1E:H1       1:ADMA_1E:C1       1:ADMA_1E:C2       1:ADMA_1E:H2       -110.000 -10.000 30.00 30.00 1000.000
1:BDMA_1C:H1       1:BDMA_1C:C1       1:BDMA_1C:C2       1:BDMA_1C:H2       10.000 110.000 30.00 30.00 1000.000
1:BDGL_1F:H1       1:BDGL_1F:C1       1:BDGL_1F:C2       1:BDGL_1F:H2       130.000 -130.000 30.00 30.00 1000.000
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:ADMA_1B:H3       1:ADMA_1B:C3       1:ADMA_1B:C2       1:ADMA_1B:H2       -110.000 -10.000 30.00 30.00 1000.000
1:ADMA_1J:H3       1:ADMA_1J:C3       1:ADMA_1J:C2       1:ADMA_1J:H2       -110.000 -10.000 30.00 30.00 1000.000
1:ADMA_1D:H3       1:ADMA_1D:C3       1:ADMA_1D:C2       1:ADMA_1D:H2       -110.000 -10.000 30.00 30.00 1000.000
1:ADMA_1K:H3       1:ADMA_1K:C3       1:ADMA_1K:C2       1:ADMA_1K:H2       -110.000 -10.000 30.00 30.00 1000.000
1:ADMA_1E:H3       1:ADMA_1E:C3       1:ADMA_1E:C2       1:ADMA_1E:H2       -110.000 -10.000 30.00 30.00 1000.000
1:BDMA_1C:H3       1:BDMA_1C:C3       1:BDMA_1C:C2       1:BDMA_1C:H2       -110.000 -10.000 30.00 30.00 1000.000
1:BDGL_1F:H3       1:BDGL_1F:C3       1:BDGL_1F:C2       1:BDGL_1F: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:ADMA_1B:H3       1:ADMA_1B:C3       1:ADMA_1B:C4       1:ADMA_1B:H4       130.000 -130.000 30.00 30.00 1000.000
1:ADMA_1J:H3       1:ADMA_1J:C3       1:ADMA_1J:C4       1:ADMA_1J:H4       130.000 -130.000 30.00 30.00 1000.000
1:ADMA_1D:H3       1:ADMA_1D:C3       1:ADMA_1D:C4       1:ADMA_1D:H4       130.000 -130.000 30.00 30.00 1000.000
1:ADMA_1K:H3       1:ADMA_1K:C3       1:ADMA_1K:C4       1:ADMA_1K:H4       130.000 -130.000 30.00 30.00 1000.000
1:ADMA_1E:H3       1:ADMA_1E:C3       1:ADMA_1E:C4       1:ADMA_1E:H4       130.000 -130.000 30.00 30.00 1000.000
1:BDMA_1C:H3       1:BDMA_1C:C3       1:BDMA_1C:C4       1:BDMA_1C:H4       130.000 -130.000 30.00 30.00 1000.000
1:BDGL_1F:H3       1:BDGL_1F:C3       1:BDGL_1F:C4       1:BDGL_1F:H4       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:ADMA_1B:H5       1:ADMA_1B:C5       1:ADMA_1B:C4       1:ADMA_1B:H4       130.000 -130.000 30.00 30.00 1000.000
1:ADMA_1J:H5       1:ADMA_1J:C5       1:ADMA_1J:C4       1:ADMA_1J:H4       130.000 -130.000 30.00 30.00 1000.000
1:ADMA_1D:H5       1:ADMA_1D:C5       1:ADMA_1D:C4       1:ADMA_1D:H4       130.000 -130.000 30.00 30.00 1000.000
1:ADMA_1K:H5       1:ADMA_1K:C5       1:ADMA_1K:C4       1:ADMA_1K:H4       130.000 -130.000 30.00 30.00 1000.000
1:ADMA_1E:H5       1:ADMA_1E:C5       1:ADMA_1E:C4       1:ADMA_1E:H4       130.000 -130.000 30.00 30.00 1000.000
1:BDMA_1C:H5       1:BDMA_1C:C5       1:BDMA_1C:C4       1:BDMA_1C:H4       130.000 -130.000 30.00 30.00 1000.000
1:BDGL_1F:H5       1:BDGL_1F:C5       1:BDGL_1F:C4       1:BDGL_1F: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:ADMA_1B:H5       1:ADMA_1B:C5       1:ADMA_1B:O        1:ADMA_1B:C1       -110.000 -10.000 30.00 30.00 1000.000
1:ADMA_1J:H5       1:ADMA_1J:C5       1:ADMA_1J:O        1:ADMA_1J:C1       -110.000 -10.000 30.00 30.00 1000.000
1:ADMA_1D:H5       1:ADMA_1D:C5       1:ADMA_1D:O        1:ADMA_1D:C1       -110.000 -10.000 30.00 30.00 1000.000
1:ADMA_1K:H5       1:ADMA_1K:C5       1:ADMA_1K:O        1:ADMA_1K:C1       -110.000 -10.000 30.00 30.00 1000.000
1:ADMA_1E:H5       1:ADMA_1E:C5       1:ADMA_1E:O        1:ADMA_1E:C1       -110.000 -10.000 30.00 30.00 1000.000
1:BDMA_1C:H5       1:BDMA_1C:C5       1:BDMA_1C:O        1:BDMA_1C:C1       -110.000 -10.000 30.00 30.00 1000.000
1:BDGL_1F:H5       1:BDGL_1F:C5       1:BDGL_1F:O        1:BDGL_1F:C1       -110.000 -10.000 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  -4.254   9.973  -0.643
    2   2H    CYS   1          2H        CYS   1  -3.077   9.779   0.496
    3   3H    CYS   1          3H        CYS   1  -2.868   9.161  -1.018
    4    HA   CYS   1           HA       CYS   1  -4.650   7.638  -0.728
    5   1HB   CYS   1          1HB       CYS   1  -2.423   7.574   1.312
    6   2HB   CYS   1          2HB       CYS   1  -3.629   6.288   1.164
    7    H    SER   2           H        SER   2  -6.685   7.819  -0.102
    8    HA   SER   2           HA       SER   2  -7.589   8.940   2.408
    9   1HB   SER   2          1HB       SER   2  -9.771   8.028   1.686
   10   2HB   SER   2          2HB       SER   2  -8.991   8.977   0.406
   11    HG   SER   2           HG       SER   2  -9.835   6.989  -0.352
   12    H    ASN   3           H        ASN   3  -6.733   5.725   1.165
   13    HA   ASN   3           HA       ASN   3  -7.857   4.041   3.078
   14   1HB   ASN   3          1HB       ASN   3  -5.268   3.863   1.473
   15   2HB   ASN   3          2HB       ASN   3  -5.890   2.538   2.466
   16   1HD2  ASN   3          1HD2      ASN   3  -8.203   1.937   2.056
   17    H    LEU   4           H        LEU   4  -4.384   4.959   3.035
   18    HA   LEU   4           HA       LEU   4  -2.771   4.712   4.576
   19   1HB   LEU   4          1HB       LEU   4  -4.804   5.703   6.614
   20   2HB   LEU   4          2HB       LEU   4  -3.043   5.759   6.741
   21    HG   LEU   4           HG       LEU   4  -4.755   7.313   4.745
   22   1HD1  LEU   4          1HD1      LEU   4  -4.929   8.113   7.068
   23   2HD1  LEU   4          2HD1      LEU   4  -3.158   8.229   7.168
   24   3HD1  LEU   4          3HD1      LEU   4  -4.059   9.272   6.046
   25   1HD2  LEU   4          1HD2      LEU   4  -1.735   7.326   5.202
   26   2HD2  LEU   4          2HD2      LEU   4  -2.575   6.814   3.721
   27   3HD2  LEU   4          3HD2      LEU   4  -2.622   8.508   4.218
   28    H    SER   5           H        SER   5  -4.066   2.435   3.861
   29    HA   SER   5           HA       SER   5  -3.697   0.634   6.128
   30   1HB   SER   5          1HB       SER   5  -5.990   1.360   6.547
   31   2HB   SER   5          2HB       SER   5  -6.454   1.038   4.870
   32    HG   SER   5           HG       SER   5  -5.937  -1.161   5.254
   33    H    THR   6           H        THR   6  -5.595   0.504   3.073
   34    HA   THR   6           HA       THR   6  -4.199  -1.721   1.931
   35    HB   THR   6           HB       THR   6  -5.846   0.525   0.696
   36    HG1  THR   6           HG1      THR   6  -6.520  -2.099   1.526
   37   1HG2  THR   6          1HG2      THR   6  -5.128  -2.192  -0.460
   38   2HG2  THR   6          2HG2      THR   6  -6.300  -1.041  -1.140
   39   3HG2  THR   6          3HG2      THR   6  -4.584  -0.606  -1.072
   40    H    CYS   7           H        CYS   7  -3.955   1.841   1.571
   41    HA   CYS   7           HA       CYS   7  -1.828   1.869  -0.307
   42   1HB   CYS   7          1HB       CYS   7  -3.290   3.738  -0.034
   43   2HB   CYS   7          2HB       CYS   7  -2.846   3.929   1.667
   44    H    VAL   8           H        VAL   8  -1.761   2.317   3.314
   45    HA   VAL   8           HA       VAL   8   1.013   2.782   3.355
   46    HB   VAL   8           HB       VAL   8  -0.688   3.353   5.136
   47   1HG1  VAL   8          1HG2      VAL   8  -1.553   1.021   5.464
   48   2HG1  VAL   8          2HG2      VAL   8  -0.019   0.596   6.247
   49   3HG1  VAL   8          3HG2      VAL   8  -1.066   1.837   6.957
   50   1HG2  VAL   8          1HG1      VAL   8   1.726   3.764   5.383
   51   2HG2  VAL   8          2HG1      VAL   8   1.003   3.277   6.925
   52   3HG2  VAL   8          3HG1      VAL   8   1.962   2.111   5.991
   53    H    LEU   9           H        LEU   9  -0.789  -0.297   3.751
   54    HA   LEU   9           HA       LEU   9   1.500  -1.954   4.207
   55   1HB   LEU   9          1HB       LEU   9  -1.229  -2.510   2.998
   56   2HB   LEU   9          2HB       LEU   9  -0.034  -3.770   3.312
   57    HG   LEU   9           HG       LEU   9  -1.135  -1.948   5.498
   58   1HD1  LEU   9          1HD1      LEU   9  -2.925  -3.353   4.484
   59   2HD1  LEU   9          2HD1      LEU   9  -1.927  -4.797   4.749
   60   3HD1  LEU   9          3HD1      LEU   9  -2.537  -3.867   6.134
   61   1HD2  LEU   9          1HD2      LEU   9   0.486  -4.530   5.593
   62   2HD2  LEU   9          2HD2      LEU   9   1.027  -2.922   6.125
   63   3HD2  LEU   9          3HD2      LEU   9  -0.267  -3.745   6.995
   64    H    GLY  10           H        GLY  10  -0.040  -0.733   1.220
   65   1HA   GLY  10          1HA       GLY  10   1.433  -2.227  -0.678
   66   2HA   GLY  10          2HA       GLY  10   0.719  -0.624  -0.915
   67    H    LYS  11           H        LYS  11   2.124   0.953   0.874
   68    HA   LYS  11           HA       LYS  11   4.564   1.437  -0.550
   69   1HB   LYS  11          1HB       LYS  11   3.380   2.603   1.980
   70   2HB   LYS  11          2HB       LYS  11   4.860   3.217   1.203
   71   1HG   LYS  11          1HG       LYS  11   3.582   3.560  -0.908
   72   2HG   LYS  11          2HG       LYS  11   2.091   3.123  -0.076
   73   1HD   LYS  11          1HD       LYS  11   3.894   5.496   0.585
   74   2HD   LYS  11          2HD       LYS  11   2.386   5.532  -0.324
   75   1HE   LYS  11          1HE       LYS  11   1.692   6.248   1.752
   76   2HE   LYS  11          2HE       LYS  11   1.263   4.532   1.793
   77   1HZ   LYS  11          1HZ       LYS  11   3.678   5.740   2.954
   78   2HZ   LYS  11          2HZ       LYS  11   2.322   5.320   3.793
   79   3HZ   LYS  11          3HZ       LYS  11   3.244   4.158   3.084
   80    H    LEU  12           H        LEU  12   3.852  -0.040   2.642
   81    HA   LEU  12           HA       LEU  12   6.581  -0.355   3.476
   82   1HB   LEU  12          1HB       LEU  12   3.998  -1.800   4.153
   83   2HB   LEU  12          2HB       LEU  12   5.532  -2.198   4.929
   84    HG   LEU  12           HG       LEU  12   4.460   0.642   4.944
   85   1HD1  LEU  12          1HD1      LEU  12   3.907  -1.563   6.976
   86   2HD1  LEU  12          2HD1      LEU  12   3.515   0.157   7.185
   87   3HD1  LEU  12          3HD1      LEU  12   2.708  -0.785   5.923
   88   1HD2  LEU  12          1HD2      LEU  12   6.860   0.295   5.603
   89   2HD2  LEU  12          2HD2      LEU  12   5.868   0.836   6.962
   90   3HD2  LEU  12          3HD2      LEU  12   6.333  -0.871   6.828
   91    H    SER  13           H        SER  13   4.332  -2.425   1.616
   92    HA   SER  13           HA       SER  13   6.075  -4.659   1.359
   93   1HB   SER  13          1HB       SER  13   3.630  -4.705   0.940
   94   2HB   SER  13          2HB       SER  13   3.876  -3.757  -0.543
   95    HG   SER  13           HG       SER  13   5.302  -5.479  -1.206
   96    H    GLN  14           H        GLN  14   5.572  -1.755  -0.704
   97    HA   GLN  14           HA       GLN  14   7.344  -2.499  -2.771
   98   1HB   GLN  14          1HB       GLN  14   5.612  -0.762  -2.980
   99   2HB   GLN  14          2HB       GLN  14   6.469   0.255  -1.814
  100   1HG   GLN  14          1HG       GLN  14   6.889   1.037  -4.063
  101   2HG   GLN  14          2HG       GLN  14   8.395   0.434  -3.377
  102   1HE2  GLN  14          2HE2      GLN  14   9.213  -1.666  -4.144
  103   2HE2  GLN  14          1HE2      GLN  14   8.723  -2.277  -5.710
  104    H    GLU  15           H        GLU  15   7.851  -0.570   0.208
  105    HA   GLU  15           HA       GLU  15  10.549   0.153  -0.115
  106   1HB   GLU  15          1HB       GLU  15   9.154   1.086   1.612
  107   2HB   GLU  15          2HB       GLU  15   8.890  -0.504   2.343
  108   1HG   GLU  15          1HG       GLU  15  11.262  -0.663   2.961
  109   2HG   GLU  15          2HG       GLU  15  11.582   0.897   2.178
  110    H    LEU  16           H        LEU  16   9.126  -2.785   1.419
  111    HA   LEU  16           HA       LEU  16  11.559  -4.064   2.051
  112   1HB   LEU  16          1HB       LEU  16   8.773  -5.121   1.515
  113   2HB   LEU  16          2HB       LEU  16  10.098  -6.167   2.028
  114    HG   LEU  16           HG       LEU  16   9.294  -3.709   3.638
  115   1HD1  LEU  16          1HD1      LEU  16   8.294  -6.573   3.935
  116   2HD1  LEU  16          2HD1      LEU  16   7.981  -5.237   5.065
  117   3HD1  LEU  16          3HD1      LEU  16   7.322  -5.178   3.422
  118   1HD2  LEU  16          1HD2      LEU  16  10.803  -6.264   4.357
  119   2HD2  LEU  16          2HD2      LEU  16  11.520  -4.648   4.185
  120   3HD2  LEU  16          3HD2      LEU  16  10.369  -4.965   5.485
  121    H    HIS  17           H        HIS  17   9.564  -4.282  -0.957
  122    HA   HIS  17           HA       HIS  17  11.063  -6.292  -2.240
  123   1HB   HIS  17          1HB       HIS  17   9.718  -3.877  -3.514
  124   2HB   HIS  17          2HB       HIS  17  10.236  -5.340  -4.346
  125    HD1  HIS  17           HD1      HIS  17   7.299  -4.314  -4.387
  126    HD2  HIS  17           HD2      HIS  17   8.762  -7.262  -1.788
  127    HE1  HIS  17           HE1      HIS  17   5.322  -5.735  -3.660
  128    H    LYS  18           H        LYS  18  11.489  -2.723  -2.378
  129    HA   LYS  18           HA       LYS  18  13.651  -2.680  -4.161
  130   1HB   LYS  18          1HB       LYS  18  12.694  -0.757  -2.016
  131   2HB   LYS  18          2HB       LYS  18  14.063  -0.393  -3.075
  132   1HG   LYS  18          1HG       LYS  18  12.667  -0.667  -5.071
  133   2HG   LYS  18          2HG       LYS  18  11.279  -1.137  -4.080
  134   1HD   LYS  18          1HD       LYS  18  11.224   1.050  -3.010
  135   2HD   LYS  18          2HD       LYS  18  12.704   1.545  -3.868
  136   1HE   LYS  18          1HE       LYS  18  11.552   1.369  -6.027
  137   2HE   LYS  18          2HE       LYS  18  10.072   0.822  -5.217
  138   1HZ   LYS  18          1HZ       LYS  18  11.373   3.421  -4.826
  139   2HZ   LYS  18          2HZ       LYS  18  10.009   3.144  -5.710
  140   3HZ   LYS  18          3HZ       LYS  18   9.995   2.912  -4.078
  141    H    LEU  19           H        LEU  19  13.819  -2.448  -0.542
  142    HA   LEU  19           HA       LEU  19  16.655  -2.381  -0.545
  143   1HB   LEU  19          1HB       LEU  19  16.556  -2.474   1.831
  144   2HB   LEU  19          2HB       LEU  19  15.336  -1.397   1.166
  145    HG   LEU  19           HG       LEU  19  13.750  -3.520   1.422
  146   1HD1  LEU  19          1HD1      LEU  19  15.837  -4.000   3.602
  147   2HD1  LEU  19          2HD1      LEU  19  14.270  -4.818   3.456
  148   3HD1  LEU  19          3HD1      LEU  19  15.525  -5.094   2.247
  149   1HD2  LEU  19          1HD2      LEU  19  13.482  -1.322   2.534
  150   2HD2  LEU  19          2HD2      LEU  19  13.097  -2.655   3.636
  151   3HD2  LEU  19          3HD2      LEU  19  14.652  -1.806   3.775
  152    H    GLN  20           H        GLN  20  14.470  -5.137  -0.691
  153    HA   GLN  20           HA       GLN  20  16.504  -7.077   0.126
  154   1HB   GLN  20          1HB       GLN  20  13.740  -7.306  -1.115
  155   2HB   GLN  20          2HB       GLN  20  14.783  -8.702  -0.838
  156   1HG   GLN  20          1HG       GLN  20  13.912  -6.781   1.365
  157   2HG   GLN  20          2HG       GLN  20  13.119  -8.314   0.992
  158   1HE2  GLN  20          2HE2      GLN  20  14.664 -10.292   0.956
  159   2HE2  GLN  20          1HE2      GLN  20  15.850 -10.354   2.243
  160    H    THR  21           H        THR  21  14.988  -6.046  -2.977
  161    HA   THR  21           HA       THR  21  16.399  -7.784  -4.671
  162    HB   THR  21           HB       THR  21  15.264  -5.006  -5.207
  163    HG1  THR  21           HG1      THR  21  14.230  -7.625  -5.561
  164   1HG2  THR  21          1HG2      THR  21  16.036  -7.239  -7.142
  165   2HG2  THR  21          2HG2      THR  21  15.123  -5.777  -7.568
  166   3HG2  THR  21          3HG2      THR  21  16.805  -5.639  -7.035
  167    H    TYR  22           H        TYR  22  17.175  -4.398  -3.733
  168    HA   TYR  22           HA       TYR  22  20.020  -4.880  -4.413
  169   1HB   TYR  22          1HB       TYR  22  20.112  -2.445  -4.985
  170   2HB   TYR  22          2HB       TYR  22  19.288  -3.496  -6.125
  171    HD1  TYR  22           HD1      TYR  22  18.674  -0.992  -3.404
  172    HD2  TYR  22           HD2      TYR  22  17.022  -3.107  -6.774
  173    HE1  TYR  22           HE1      TYR  22  16.827   0.655  -3.535
  174    HE2  TYR  22           HE2      TYR  22  15.177  -1.462  -6.899
  175    HH   TYR  22           HH       TYR  22  15.042   1.421  -4.769
  176    HA   PRO  23           HA       PRO  23  20.655  -3.854  -0.083
  177   1HB   PRO  23          1HB       PRO  23  23.080  -2.435  -1.241
  178   2HB   PRO  23          2HB       PRO  23  22.967  -3.436   0.234
  179   1HG   PRO  23          1HG       PRO  23  23.920  -4.497  -2.071
  180   2HG   PRO  23          2HG       PRO  23  22.763  -5.427  -1.072
  181   1HD   PRO  23          1HD       PRO  23  22.182  -3.868  -3.606
  182   2HD   PRO  23          2HD       PRO  23  21.591  -5.465  -3.055
  183    H    ARG  24           H        ARG  24  21.651  -1.137  -2.257
  184    HA   ARG  24           HA       ARG  24  19.578   0.618  -1.258
  185   1HB   ARG  24          1HB       ARG  24  21.219   0.761   0.598
  186   2HB   ARG  24          2HB       ARG  24  22.476   1.241  -0.550
  187   1HG   ARG  24          1HG       ARG  24  21.132   3.281  -1.125
  188   2HG   ARG  24          2HG       ARG  24  19.858   2.734  -0.020
  189   1HD   ARG  24          1HD       ARG  24  21.205   4.427   1.070
  190   2HD   ARG  24          2HD       ARG  24  21.462   2.866   1.875
  191    HE   ARG  24           HE       ARG  24  23.422   3.229  -0.172
  192   1HH1  ARG  24          1HH2      ARG  24  22.579   4.511   3.038
  193   2HH1  ARG  24          2HH2      ARG  24  24.228   4.945   3.421
  194   1HH2  ARG  24          1HH1      ARG  24  25.563   3.804   0.359
  195   2HH2  ARG  24          2HH1      ARG  24  25.921   4.546   1.902
  196    H    THR  25           H        THR  25  18.947   1.133  -3.261
  197    HA   THR  25           HA       THR  25  20.676   2.791  -4.935
  198    HB   THR  25           HB       THR  25  19.306   0.345  -6.155
  199    HG1  THR  25           HG1      THR  25  22.022   0.796  -5.516
  200   1HG2  THR  25          1HG2      THR  25  21.308   2.359  -7.278
  201   2HG2  THR  25          2HG2      THR  25  20.647   0.952  -8.135
  202   3HG2  THR  25          3HG2      THR  25  19.582   2.296  -7.692
  203    H    ASP  26           H        ASP  26  19.086   4.074  -3.660
  204    HA   ASP  26           HA       ASP  26  17.286   5.386  -3.488
  205   1HB   ASP  26          1HB       ASP  26  16.540   4.551  -6.323
  206   2HB   ASP  26          2HB       ASP  26  15.950   5.946  -5.423
  207    H    VAL  27           H        VAL  27  16.848   3.598  -1.888
  208    HA   VAL  27           HA       VAL  27  14.572   1.865  -2.338
  209    HB   VAL  27           HB       VAL  27  15.871   2.903   0.214
  210   1HG1  VAL  27          1HG1      VAL  27  13.826   0.671  -0.184
  211   2HG1  VAL  27          2HG1      VAL  27  14.705   1.004   1.322
  212   3HG1  VAL  27          3HG1      VAL  27  13.563   2.192   0.697
  213   1HG2  VAL  27          1HG2      VAL  27  17.371   1.479  -1.165
  214   2HG2  VAL  27          2HG2      VAL  27  16.889   0.658   0.324
  215   3HG2  VAL  27          3HG2      VAL  27  16.121   0.216  -1.213
  216    H    GLY  28           H        GLY  28  12.411   2.275  -1.808
  217   1HA   GLY  28          1HA       GLY  28  11.473   4.934  -2.227
  218   2HA   GLY  28          2HA       GLY  28  10.502   3.525  -1.773
  219    H    ALA  29           H        ALA  29  10.517   2.873   0.520
  220    HA   ALA  29           HA       ALA  29  10.016   3.299   2.667
  221   1HB   ALA  29          1HB       ALA  29  12.497   3.216   2.725
  222   2HB   ALA  29          2HB       ALA  29  12.556   4.981   2.560
  223   3HB   ALA  29          3HB       ALA  29  11.830   4.243   4.003
  224    H    GLY  30           H        GLY  30   8.514   4.938   0.960
  225   1HA   GLY  30          1HA       GLY  30   8.318   7.603   2.238
  226   2HA   GLY  30          2HA       GLY  30   7.365   6.962   0.892
  227    H    THR  31           H        THR  31   8.076   5.948   4.261
  228    HA   THR  31           HA       THR  31   5.186   5.300   4.727
  229    HB   THR  31           HB       THR  31   6.056   3.333   5.959
  230    HG1  THR  31           HG1      THR  31   8.196   4.130   6.231
  231   1HG2  THR  31          1HG2      THR  31   5.223   3.099   3.657
  232   2HG2  THR  31          2HG2      THR  31   6.846   3.442   3.011
  233   3HG2  THR  31          3HG2      THR  31   6.563   1.985   3.970
  234    HA   PRO  32           HA       PRO  32   6.858   8.099   8.061
  235   1HB   PRO  32          1HB       PRO  32   4.802   9.902   8.162
  236   2HB   PRO  32          2HB       PRO  32   6.142   9.999   6.985
  237   1HG   PRO  32          1HG       PRO  32   3.388   8.825   6.541
  238   2HG   PRO  32          2HG       PRO  32   4.272   9.978   5.504
  239   1HD   PRO  32          1HD       PRO  32   4.263   7.309   5.000
  240   2HD   PRO  32          2HD       PRO  32   5.729   8.296   4.718
  241    H1   NAG  33           H1       NAG  33  -8.204   0.624  -0.369
  242    H2   NAG  33           H2       NAG  33 -10.603   1.430   1.334
  243    H3   NAG  33           H3       NAG  33 -10.287  -0.864  -0.639
  244    H4   NAG  33           H4       NAG  33 -11.958   1.678  -0.784
  245    H5   NAG  33           H5       NAG  33  -9.483   0.809  -2.353
  246   1H6   NAG  33          1H6       NAG  33  -9.626   3.196  -3.215
  247   2H6   NAG  33          2H6       NAG  33 -11.296   3.246  -2.603
  248   1H8   NAG  33          1H8       NAG  33  -7.837  -1.395   3.806
  249   2H8   NAG  33          2H8       NAG  33  -8.898  -0.769   5.084
  250   3H8   NAG  33          3H8       NAG  33  -9.521  -1.956   3.920
  251    HN2  NAG  33           HN2      NAG  33  -9.337  -1.231   1.538
  252    HO3  NAG  33           HO3      NAG  33 -12.560  -1.080  -0.167
  253    HO6  NAG  33           HO6      NAG  33 -11.183   2.612  -4.799
  254    H1   NAG  34           H1       NAG  34 -13.528   1.619  -2.673
  255    H2   NAG  34           H2       NAG  34 -14.045  -1.363  -3.145
  256    H3   NAG  34           H3       NAG  34 -15.786   1.024  -3.899
  257    H4   NAG  34           H4       NAG  34 -16.190  -1.152  -1.817
  258    H5   NAG  34           H5       NAG  34 -15.540   1.822  -1.533
  259   1H6   NAG  34          1H6       NAG  34 -17.069   1.143   0.251
  260   2H6   NAG  34          2H6       NAG  34 -15.430   1.374   0.885
  261   1H8   NAG  34          1H8       NAG  34 -12.748   1.799  -7.347
  262   2H8   NAG  34          2H8       NAG  34 -11.732   0.491  -6.703
  263   3H8   NAG  34          3H8       NAG  34 -13.287   0.111  -7.479
  264    HN2  NAG  34           HN2      NAG  34 -13.087  -1.015  -5.151
  265    HO3  NAG  34           HO3      NAG  34 -16.169  -1.809  -4.112
  266    HO6  NAG  34           HO6      NAG  34 -15.151  -0.899   0.750
  267    H1   MAN  35           H1       MAN  35 -18.374  -1.415  -3.097
  268    H2   MAN  35           H2       MAN  35 -17.901  -1.992  -0.764
  269    H3   MAN  35           H3       MAN  35 -19.653  -3.176  -1.899
  270    H4   MAN  35           H4       MAN  35 -21.613  -1.065  -0.901
  271    H5   MAN  35           H5       MAN  35 -20.573  -1.670  -3.703
  272   1H6   MAN  35          1H6       MAN  35 -21.818   0.429  -4.316
  273   2H6   MAN  35          2H6       MAN  35 -22.464   0.491  -2.670
  274    HO2  MAN  35           HO2      MAN  35 -19.130  -0.997   0.894
  275    HO4  MAN  35           HO4      MAN  35 -21.913  -3.336  -2.631
  276    H1   MAN  36           H1       MAN  36 -21.872  -1.819  -5.190
  277    H2   MAN  36           H2       MAN  36 -23.440  -0.231  -6.342
  278    H3   MAN  36           H3       MAN  36 -25.482  -0.801  -5.204
  279    H4   MAN  36           H4       MAN  36 -25.302  -3.556  -6.482
  280    H5   MAN  36           H5       MAN  36 -25.006  -2.656  -3.576
  281   1H6   MAN  36          1H6       MAN  36 -24.312  -5.046  -3.205
  282   2H6   MAN  36          2H6       MAN  36 -24.776  -5.402  -4.875
  283    HO2  MAN  36           HO2      MAN  36 -22.258  -1.899  -7.426
  284    HO4  MAN  36           HO4      MAN  36 -27.190  -3.874  -5.235
  285    H1   MAN  37           H1       MAN  37 -20.987  -1.546   1.095
  286    H2   MAN  37           H2       MAN  37 -19.533  -2.888   2.612
  287    H3   MAN  37           H3       MAN  37 -20.119  -5.119   1.861
  288    H4   MAN  37           H4       MAN  37 -22.876  -4.584   3.041
  289    H5   MAN  37           H5       MAN  37 -22.017  -4.904   0.123
  290   1H6   MAN  37          1H6       MAN  37 -24.288  -5.777   0.561
  291   2H6   MAN  37          2H6       MAN  37 -24.318  -4.288  -0.405
  292    HO3  MAN  37           HO3      MAN  37 -21.022  -4.629   4.538
  293    HO4  MAN  37           HO4      MAN  37 -21.778  -6.798   1.589
  294    HO6  MAN  37           HO6      MAN  37 -24.781  -3.148   1.529
  295    H1   MAN  38           H1       MAN  38 -25.821  -3.781  -2.019
  296    H2   MAN  38           H2       MAN  38 -26.384  -6.090  -1.204
  297    H3   MAN  38           H3       MAN  38 -28.238  -6.602  -2.683
  298    H4   MAN  38           H4       MAN  38 -29.753  -4.385  -1.242
  299    H5   MAN  38           H5       MAN  38 -28.704  -4.534  -4.108
  300   1H6   MAN  38          1H6       MAN  38 -30.823  -3.295  -3.970
  301   2H6   MAN  38          2H6       MAN  38 -29.457  -2.209  -4.296
  302    HO2  MAN  38           HO2      MAN  38 -27.655  -5.260   0.549
  303    HO3  MAN  38           HO3      MAN  38 -28.258  -7.506  -0.547
  304    HO4  MAN  38           HO4      MAN  38 -30.427  -6.082  -3.454
  305    HO6  MAN  38           HO6      MAN  38 -29.440  -1.712  -2.055
  306    H1   MAN  39           H1       MAN  39 -25.259  -2.479  -8.520
  307    H2   MAN  39           H2       MAN  39 -25.567  -0.302  -9.706
  308    H3   MAN  39           H3       MAN  39 -27.587   0.481  -8.607
  309    H4   MAN  39           H4       MAN  39 -29.006  -1.840  -9.976
  310    H5   MAN  39           H5       MAN  39 -28.390  -1.365  -7.020
  311   1H6   MAN  39          1H6       MAN  39 -30.533  -2.547  -7.355
  312   2H6   MAN  39          2H6       MAN  39 -29.291  -3.609  -6.661
  313    HO2  MAN  39           HO2      MAN  39 -25.618  -2.356 -10.783
  314    HO3  MAN  39           HO3      MAN  39 -27.226   1.079 -10.822
  315    HO4  MAN  39           HO4      MAN  39 -30.232   0.106  -9.665
  316    HO6  MAN  39           HO6      MAN  39 -30.076  -3.492  -9.387
  317    H1   MAN  40           H1       MAN  40 -19.774  -1.485   4.365
  318    H2   MAN  40           H2       MAN  40 -21.674  -1.764   5.978
  319    H3   MAN  40           H3       MAN  40 -23.538  -1.279   4.500
  320    H4   MAN  40           H4       MAN  40 -22.460   1.569   4.374
  321    H5   MAN  40           H5       MAN  40 -22.605  -0.601   2.231
  322   1H6   MAN  40          1H6       MAN  40 -22.914   1.667   1.302
  323   2H6   MAN  40          2H6       MAN  40 -21.359   0.959   0.822
  324    HO2  MAN  40           HO2      MAN  40 -20.818   0.911   5.409
  325    HO3  MAN  40           HO3      MAN  40 -24.589   0.298   5.843
  326    HO4  MAN  40           HO4      MAN  40 -24.667   0.263   3.089
  327    HO6  MAN  40           HO6      MAN  40 -20.389   2.176   2.505
  328   1HN   NH2  41          1HN       NH2  41   3.209   6.469   9.243
  329   2HN   NH2  41          2HN       NH2  41   3.440   6.967   7.582
  Start of MODEL    2
    1   1H    CYS   1          1H        CYS   1  -3.458   8.668  -0.339
    2   2H    CYS   1          2H        CYS   1  -3.100   9.603   0.970
    3   3H    CYS   1          3H        CYS   1  -2.059   8.414   0.497
    4    HA   CYS   1           HA       CYS   1  -3.619   6.719   1.044
    5   1HB   CYS   1          1HB       CYS   1  -3.055   8.722   3.229
    6   2HB   CYS   1          2HB       CYS   1  -3.761   7.126   3.508
    7    H    SER   2           H        SER   2  -5.510   6.949  -0.191
    8    HA   SER   2           HA       SER   2  -7.796   8.404   1.007
    9   1HB   SER   2          1HB       SER   2  -7.571   6.639  -1.468
   10   2HB   SER   2          2HB       SER   2  -8.981   7.613  -0.993
   11    HG   SER   2           HG       SER   2  -7.630   9.458  -1.151
   12    H    ASN   3           H        ASN   3  -6.725   6.617   2.806
   13    HA   ASN   3           HA       ASN   3  -8.746   4.742   3.449
   14   1HB   ASN   3          1HB       ASN   3  -7.229   2.664   3.053
   15   2HB   ASN   3          2HB       ASN   3  -8.206   3.280   1.734
   16   1HD2  ASN   3          1HD2      ASN   3  -7.279   3.841  -0.113
   17    H    LEU   4           H        LEU   4  -5.221   5.390   3.585
   18    HA   LEU   4           HA       LEU   4  -3.682   5.232   5.224
   19   1HB   LEU   4          1HB       LEU   4  -6.029   5.703   7.106
   20   2HB   LEU   4          2HB       LEU   4  -4.336   5.748   7.579
   21    HG   LEU   4           HG       LEU   4  -5.366   7.569   5.377
   22   1HD1  LEU   4          1HD1      LEU   4  -5.368   8.099   8.375
   23   2HD1  LEU   4          2HD1      LEU   4  -5.676   9.303   7.105
   24   3HD1  LEU   4          3HD1      LEU   4  -6.798   7.950   7.330
   25   1HD2  LEU   4          1HD2      LEU   4  -2.868   7.299   5.716
   26   2HD2  LEU   4          2HD2      LEU   4  -3.447   8.939   6.046
   27   3HD2  LEU   4          3HD2      LEU   4  -3.078   7.839   7.388
   28    H    SER   5           H        SER   5  -4.369   2.923   4.092
   29    HA   SER   5           HA       SER   5  -3.739   0.961   6.134
   30   1HB   SER   5          1HB       SER   5  -6.174   1.076   6.484
   31   2HB   SER   5          2HB       SER   5  -6.464   0.846   4.750
   32    HG   SER   5           HG       SER   5  -6.621  -1.094   5.946
   33    H    THR   6           H        THR   6  -5.306   1.095   2.881
   34    HA   THR   6           HA       THR   6  -3.723  -1.014   1.776
   35    HB   THR   6           HB       THR   6  -5.400   1.176   0.504
   36    HG1  THR   6           HG1      THR   6  -6.867  -0.537   0.352
   37   1HG2  THR   6          1HG2      THR   6  -4.169  -1.317  -0.741
   38   2HG2  THR   6          2HG2      THR   6  -5.447  -0.338  -1.488
   39   3HG2  THR   6          3HG2      THR   6  -3.853   0.373  -1.205
   40    H    CYS   7           H        CYS   7  -3.355   2.546   1.878
   41    HA   CYS   7           HA       CYS   7  -1.085   2.693   0.159
   42   1HB   CYS   7          1HB       CYS   7  -0.837   4.897   0.904
   43   2HB   CYS   7          2HB       CYS   7  -2.576   4.585   0.839
   44    H    VAL   8           H        VAL   8  -1.468   2.114   3.671
   45    HA   VAL   8           HA       VAL   8   1.287   2.395   4.359
   46    HB   VAL   8           HB       VAL   8  -0.943   0.868   5.772
   47   1HG1  VAL   8          1HG2      VAL   8   1.763   1.860   6.761
   48   2HG1  VAL   8          2HG2      VAL   8   0.465   1.224   7.793
   49   3HG1  VAL   8          3HG2      VAL   8   1.240   0.167   6.612
   50   1HG2  VAL   8          1HG1      VAL   8   0.051   3.733   6.088
   51   2HG2  VAL   8          2HG1      VAL   8  -1.547   3.231   5.495
   52   3HG2  VAL   8          3HG1      VAL   8  -1.097   2.920   7.171
   53    H    LEU   9           H        LEU   9  -0.766  -0.496   3.795
   54    HA   LEU   9           HA       LEU   9   1.240  -2.469   3.994
   55   1HB   LEU   9          1HB       LEU   9  -1.359  -2.354   2.426
   56   2HB   LEU   9          2HB       LEU   9  -0.405  -3.829   2.612
   57    HG   LEU   9           HG       LEU   9  -1.473  -2.262   5.005
   58   1HD1  LEU   9          1HD1      LEU   9  -3.360  -2.969   3.587
   59   2HD1  LEU   9          2HD1      LEU   9  -2.728  -4.630   3.557
   60   3HD1  LEU   9          3HD1      LEU   9  -3.296  -3.916   5.083
   61   1HD2  LEU   9          1HD2      LEU   9  -0.466  -5.125   4.688
   62   2HD2  LEU   9          2HD2      LEU   9   0.369  -3.814   5.548
   63   3HD2  LEU   9          3HD2      LEU   9  -1.165  -4.433   6.165
   64    H    GLY  10           H        GLY  10   0.030  -0.680   1.119
   65   1HA   GLY  10          1HA       GLY  10   1.591  -1.977  -0.848
   66   2HA   GLY  10          2HA       GLY  10   0.918  -0.341  -0.943
   67    H    LYS  11           H        LYS  11   2.231   0.974   1.103
   68    HA   LYS  11           HA       LYS  11   4.647   1.726  -0.142
   69   1HB   LYS  11          1HB       LYS  11   3.308   3.253   1.127
   70   2HB   LYS  11          2HB       LYS  11   3.524   2.300   2.616
   71   1HG   LYS  11          1HG       LYS  11   5.847   2.893   2.752
   72   2HG   LYS  11          2HG       LYS  11   5.844   3.549   1.107
   73   1HD   LYS  11          1HD       LYS  11   5.868   5.304   2.810
   74   2HD   LYS  11          2HD       LYS  11   4.446   5.425   1.772
   75   1HE   LYS  11          1HE       LYS  11   4.304   3.993   4.456
   76   2HE   LYS  11          2HE       LYS  11   4.207   5.758   4.350
   77   1HZ   LYS  11          1HZ       LYS  11   2.352   5.563   2.906
   78   2HZ   LYS  11          2HZ       LYS  11   2.380   3.918   2.992
   79   3HZ   LYS  11          3HZ       LYS  11   2.060   4.806   4.340
   80    H    LEU  12           H        LEU  12   4.142  -0.099   2.967
   81    HA   LEU  12           HA       LEU  12   6.949  -0.451   3.359
   82   1HB   LEU  12          1HB       LEU  12   6.423  -1.838   5.209
   83   2HB   LEU  12          2HB       LEU  12   5.377  -0.425   5.164
   84    HG   LEU  12           HG       LEU  12   3.684  -2.105   3.964
   85   1HD1  LEU  12          1HD1      LEU  12   5.361  -3.976   5.707
   86   2HD1  LEU  12          2HD1      LEU  12   3.810  -4.370   4.942
   87   3HD1  LEU  12          3HD1      LEU  12   5.238  -4.089   3.945
   88   1HD2  LEU  12          1HD2      LEU  12   3.307  -0.899   6.090
   89   2HD2  LEU  12          2HD2      LEU  12   2.709  -2.564   6.179
   90   3HD2  LEU  12          3HD2      LEU  12   4.246  -2.129   6.957
   91    H    SER  13           H        SER  13   4.503  -2.439   1.674
   92    HA   SER  13           HA       SER  13   6.120  -4.759   1.330
   93   1HB   SER  13          1HB       SER  13   3.707  -4.772   0.961
   94   2HB   SER  13          2HB       SER  13   3.877  -3.644  -0.404
   95    HG   SER  13           HG       SER  13   3.759  -5.829  -1.061
   96    H    GLN  14           H        GLN  14   5.634  -1.839  -0.709
   97    HA   GLN  14           HA       GLN  14   7.374  -2.554  -2.821
   98   1HB   GLN  14          1HB       GLN  14   5.661  -0.790  -2.919
   99   2HB   GLN  14          2HB       GLN  14   6.592   0.201  -1.782
  100   1HG   GLN  14          1HG       GLN  14   8.475   0.277  -3.403
  101   2HG   GLN  14          2HG       GLN  14   7.545  -0.721  -4.533
  102   1HE2  GLN  14          2HE2      GLN  14   5.302   0.207  -5.123
  103   2HE2  GLN  14          1HE2      GLN  14   5.219   1.936  -5.378
  104    H    GLU  15           H        GLU  15   7.949  -0.678   0.196
  105    HA   GLU  15           HA       GLU  15  10.620   0.053  -0.247
  106   1HB   GLU  15          1HB       GLU  15   9.163   0.987   1.488
  107   2HB   GLU  15          2HB       GLU  15   9.170  -0.555   2.360
  108   1HG   GLU  15          1HG       GLU  15  11.594  -0.358   2.739
  109   2HG   GLU  15          2HG       GLU  15  11.639   1.135   1.784
  110    H    LEU  16           H        LEU  16   9.314  -2.829   1.485
  111    HA   LEU  16           HA       LEU  16  11.812  -4.056   2.040
  112   1HB   LEU  16          1HB       LEU  16   9.006  -5.157   1.697
  113   2HB   LEU  16          2HB       LEU  16  10.365  -6.154   2.223
  114    HG   LEU  16           HG       LEU  16   9.547  -3.624   3.716
  115   1HD1  LEU  16          1HD1      LEU  16   7.641  -5.205   3.657
  116   2HD1  LEU  16          2HD1      LEU  16   8.701  -6.505   4.242
  117   3HD1  LEU  16          3HD1      LEU  16   8.350  -5.104   5.278
  118   1HD2  LEU  16          1HD2      LEU  16  11.213  -6.054   4.510
  119   2HD2  LEU  16          2HD2      LEU  16  11.828  -4.411   4.228
  120   3HD2  LEU  16          3HD2      LEU  16  10.747  -4.724   5.589
  121    H    HIS  17           H        HIS  17   9.641  -4.309  -0.810
  122    HA   HIS  17           HA       HIS  17  11.108  -6.396  -2.092
  123   1HB   HIS  17          1HB       HIS  17   8.776  -5.869  -2.608
  124   2HB   HIS  17          2HB       HIS  17   9.249  -4.289  -3.247
  125    HD1  HIS  17           HD1      HIS  17   9.996  -4.181  -5.667
  126    HD2  HIS  17           HD2      HIS  17   9.833  -8.107  -4.207
  127    HE1  HIS  17           HE1      HIS  17  10.414  -5.739  -7.632
  128    H    LYS  18           H        LYS  18  11.526  -2.856  -2.038
  129    HA   LYS  18           HA       LYS  18  13.355  -2.744  -4.271
  130   1HB   LYS  18          1HB       LYS  18  12.651  -0.849  -2.013
  131   2HB   LYS  18          2HB       LYS  18  13.930  -0.500  -3.194
  132   1HG   LYS  18          1HG       LYS  18  12.436  -0.480  -5.024
  133   2HG   LYS  18          2HG       LYS  18  11.146  -1.258  -4.110
  134   1HD   LYS  18          1HD       LYS  18  10.651   1.078  -4.459
  135   2HD   LYS  18          2HD       LYS  18  10.826   0.750  -2.732
  136   1HE   LYS  18          1HE       LYS  18  13.132   1.856  -4.390
  137   2HE   LYS  18          2HE       LYS  18  11.869   2.906  -3.728
  138   1HZ   LYS  18          1HZ       LYS  18  12.379   2.123  -1.556
  139   2HZ   LYS  18          2HZ       LYS  18  13.593   1.168  -2.128
  140   3HZ   LYS  18          3HZ       LYS  18  13.700   2.804  -2.268
  141    H    LEU  19           H        LEU  19  13.916  -2.429  -0.695
  142    HA   LEU  19           HA       LEU  19  16.745  -2.558  -1.016
  143   1HB   LEU  19          1HB       LEU  19  16.889  -2.516   1.372
  144   2HB   LEU  19          2HB       LEU  19  15.717  -1.370   0.757
  145    HG   LEU  19           HG       LEU  19  14.012  -3.404   1.333
  146   1HD1  LEU  19          1HD1      LEU  19  15.854  -4.862   2.285
  147   2HD1  LEU  19          2HD1      LEU  19  16.200  -3.588   3.462
  148   3HD1  LEU  19          3HD1      LEU  19  14.632  -4.418   3.482
  149   1HD2  LEU  19          1HD2      LEU  19  13.850  -1.063   2.101
  150   2HD2  LEU  19          2HD2      LEU  19  13.518  -2.206   3.415
  151   3HD2  LEU  19          3HD2      LEU  19  15.089  -1.378   3.331
  152    H    GLN  20           H        GLN  20  14.439  -5.007   0.184
  153    HA   GLN  20           HA       GLN  20  14.432  -7.211   0.296
  154   1HB   GLN  20          1HB       GLN  20  14.109  -6.615  -2.054
  155   2HB   GLN  20          2HB       GLN  20  15.805  -6.954  -2.407
  156   1HG   GLN  20          1HG       GLN  20  15.442  -9.316  -1.641
  157   2HG   GLN  20          2HG       GLN  20  13.750  -8.929  -1.293
  158   1HE2  GLN  20          2HE2      GLN  20  12.544  -7.847  -3.250
  159   2HE2  GLN  20          1HE2      GLN  20  12.810  -8.615  -4.800
  160    H    THR  21           H        THR  21  17.563  -7.202  -1.419
  161    HA   THR  21           HA       THR  21  18.623  -9.189   0.463
  162    HB   THR  21           HB       THR  21  20.446  -9.346  -1.185
  163    HG1  THR  21           HG1      THR  21  20.263  -8.097  -3.084
  164   1HG2  THR  21          1HG2      THR  21  18.348 -10.658  -1.530
  165   2HG2  THR  21          2HG2      THR  21  17.730  -9.356  -2.572
  166   3HG2  THR  21          3HG2      THR  21  19.183 -10.254  -3.042
  167    H    TYR  22           H        TYR  22  18.520  -5.833   0.528
  168    HA   TYR  22           HA       TYR  22  21.144  -5.041   0.927
  169   1HB   TYR  22          1HB       TYR  22  19.240  -3.573   0.507
  170   2HB   TYR  22          2HB       TYR  22  18.623  -3.861   2.124
  171    HD1  TYR  22           HD1      TYR  22  21.589  -2.537   0.253
  172    HD2  TYR  22           HD2      TYR  22  19.290  -2.441   3.897
  173    HE1  TYR  22           HE1      TYR  22  22.881  -0.565   1.016
  174    HE2  TYR  22           HE2      TYR  22  20.586  -0.470   4.661
  175    HH   TYR  22           HH       TYR  22  23.221   0.964   2.700
  176    HA   PRO  23           HA       PRO  23  20.716  -5.978   5.659
  177   1HB   PRO  23          1HB       PRO  23  18.879  -8.359   5.554
  178   2HB   PRO  23          2HB       PRO  23  19.006  -7.103   6.820
  179   1HG   PRO  23          1HG       PRO  23  16.940  -7.067   5.072
  180   2HG   PRO  23          2HG       PRO  23  17.801  -5.537   5.439
  181   1HD   PRO  23          1HD       PRO  23  18.296  -7.422   3.112
  182   2HD   PRO  23          2HD       PRO  23  17.944  -5.673   3.061
  183    H    ARG  24           H        ARG  24  21.215  -8.240   6.922
  184    HA   ARG  24           HA       ARG  24  22.674  -9.904   7.231
  185   1HB   ARG  24          1HB       ARG  24  22.541 -10.550   4.266
  186   2HB   ARG  24          2HB       ARG  24  23.074 -11.598   5.572
  187   1HG   ARG  24          1HG       ARG  24  20.222 -10.566   5.241
  188   2HG   ARG  24          2HG       ARG  24  20.822 -12.144   4.736
  189   1HD   ARG  24          1HD       ARG  24  21.409 -12.717   7.054
  190   2HD   ARG  24          2HD       ARG  24  20.801 -11.161   7.626
  191    HE   ARG  24           HE       ARG  24  19.279 -13.508   6.804
  192   1HH1  ARG  24          1HH1      ARG  24  17.014 -13.474   6.930
  193   2HH1  ARG  24          2HH1      ARG  24  16.166 -11.971   7.207
  194   1HH2  ARG  24          1HH2      ARG  24  19.076  -9.987   7.364
  195   2HH2  ARG  24          2HH2      ARG  24  17.331 -10.004   7.443
  196    H    THR  25           H        THR  25  23.477  -7.099   5.967
  197    HA   THR  25           HA       THR  25  26.280  -7.532   6.345
  198    HB   THR  25           HB       THR  25  26.246  -8.340   4.073
  199    HG1  THR  25           HG1      THR  25  27.705  -6.829   3.229
  200   1HG2  THR  25          1HG2      THR  25  24.176  -7.167   3.237
  201   2HG2  THR  25          2HG2      THR  25  25.132  -5.670   3.143
  202   3HG2  THR  25          3HG2      THR  25  25.575  -7.066   2.159
  203    H    ASP  26           H        ASP  26  23.850  -5.265   4.906
  204    HA   ASP  26           HA       ASP  26  25.277  -2.948   6.005
  205   1HB   ASP  26          1HB       ASP  26  22.609  -3.182   4.557
  206   2HB   ASP  26          2HB       ASP  26  23.395  -1.677   5.050
  207    H    VAL  27           H        VAL  27  21.875  -4.085   6.325
  208    HA   VAL  27           HA       VAL  27  21.578  -2.834   8.939
  209    HB   VAL  27           HB       VAL  27  19.732  -4.675   7.362
  210   1HG1  VAL  27          1HG1      VAL  27  19.197  -2.904   9.785
  211   2HG1  VAL  27          2HG1      VAL  27  17.961  -3.755   8.836
  212   3HG1  VAL  27          3HG1      VAL  27  19.152  -4.679   9.756
  213   1HG2  VAL  27          1HG2      VAL  27  19.782  -1.635   7.623
  214   2HG2  VAL  27          2HG2      VAL  27  20.186  -2.562   6.163
  215   3HG2  VAL  27          3HG2      VAL  27  18.534  -2.587   6.790
  216    H    GLY  28           H        GLY  28  21.877  -6.149   7.601
  217   1HA   GLY  28          1HA       GLY  28  22.788  -8.017   8.666
  218   2HA   GLY  28          2HA       GLY  28  22.694  -7.227  10.240
  219    H    ALA  29           H        ALA  29  20.664  -7.059  11.288
  220    HA   ALA  29           HA       ALA  29  18.642  -7.600  12.012
  221   1HB   ALA  29          1HB       ALA  29  17.806  -6.790   9.853
  222   2HB   ALA  29          2HB       ALA  29  17.913  -8.426   9.174
  223   3HB   ALA  29          3HB       ALA  29  16.814  -8.099  10.519
  224    H    GLY  30           H        GLY  30  19.287 -10.224   9.612
  225   1HA   GLY  30          1HA       GLY  30  19.347 -12.497   9.840
  226   2HA   GLY  30          2HA       GLY  30  19.710 -12.283  11.560
  227    H    THR  31           H        THR  31  16.916 -11.376   9.488
  228    HA   THR  31           HA       THR  31  15.039 -12.978  11.161
  229    HB   THR  31           HB       THR  31  14.749 -10.019  10.515
  230    HG1  THR  31           HG1      THR  31  14.971  -9.823  12.762
  231   1HG2  THR  31          1HG2      THR  31  13.016 -11.934  12.153
  232   2HG2  THR  31          2HG2      THR  31  12.775 -10.181  12.011
  233   3HG2  THR  31          3HG2      THR  31  12.562 -11.218  10.592
  234    HA   PRO  32           HA       PRO  32  14.465 -13.728   6.637
  235   1HB   PRO  32          1HB       PRO  32  13.080 -16.084   7.939
  236   2HB   PRO  32          2HB       PRO  32  14.048 -16.044   6.436
  237   1HG   PRO  32          1HG       PRO  32  15.177 -16.933   8.725
  238   2HG   PRO  32          2HG       PRO  32  16.082 -15.776   7.699
  239   1HD   PRO  32          1HD       PRO  32  14.455 -15.176  10.186
  240   2HD   PRO  32          2HD       PRO  32  16.100 -14.623   9.748
  241    H1   NAG  33           H1       NAG  33  -4.610   2.888  -0.641
  242    H2   NAG  33           H2       NAG  33  -6.738   4.292  -2.328
  243    H3   NAG  33           H3       NAG  33  -4.274   2.774  -3.268
  244    H4   NAG  33           H4       NAG  33  -5.016   5.727  -3.301
  245    H5   NAG  33           H5       NAG  33  -2.913   4.102  -1.793
  246   1H6   NAG  33          1H6       NAG  33  -2.312   6.223  -0.675
  247   2H6   NAG  33          2H6       NAG  33  -3.298   7.125  -1.836
  248   1H8   NAG  33          1H8       NAG  33  -7.968  -0.071  -1.381
  249   2H8   NAG  33          2H8       NAG  33  -9.563   0.604  -1.772
  250   3H8   NAG  33          3H8       NAG  33  -8.391   0.292  -3.070
  251    HN2  NAG  33           HN2      NAG  33  -6.137   1.412  -2.567
  252    HO3  NAG  33           HO3      NAG  33  -6.155   2.641  -4.626
  253    HO6  NAG  33           HO6      NAG  33  -1.040   7.019  -2.342
  254    H1   NAG  34           H1       NAG  34  -2.444   6.297  -5.723
  255    H2   NAG  34           H2       NAG  34  -5.488   6.068  -5.581
  256    H3   NAG  34           H3       NAG  34  -3.655   7.465  -7.581
  257    H4   NAG  34           H4       NAG  34  -5.614   8.507  -5.508
  258    H5   NAG  34           H5       NAG  34  -2.558   8.622  -5.528
  259   1H6   NAG  34          1H6       NAG  34  -4.637   9.686  -3.562
  260   2H6   NAG  34          2H6       NAG  34  -3.516  10.668  -4.540
  261   1H8   NAG  34          1H8       NAG  34  -4.503   3.338  -9.209
  262   2H8   NAG  34          2H8       NAG  34  -2.736   3.152  -9.229
  263   3H8   NAG  34          3H8       NAG  34  -3.683   2.479  -7.884
  264    HN2  NAG  34           HN2      NAG  34  -5.246   4.279  -6.932
  265    HO3  NAG  34           HO3      NAG  34  -6.513   7.320  -7.358
  266    HO6  NAG  34           HO6      NAG  34  -2.805  10.270  -2.369
  267    H1   MAN  35           H1       MAN  35  -3.734   9.389  -8.549
  268    H2   MAN  35           H2       MAN  35  -5.020  11.434  -8.957
  269    H3   MAN  35           H3       MAN  35  -2.967  11.199 -10.206
  270    H4   MAN  35           H4       MAN  35  -1.577  12.614  -7.893
  271    H5   MAN  35           H5       MAN  35  -1.447   9.716  -8.861
  272   1H6   MAN  35          1H6       MAN  35   0.743  10.573  -8.002
  273   2H6   MAN  35          2H6       MAN  35   0.021   9.289  -7.004
  274    HO2  MAN  35           HO2      MAN  35  -4.403  13.364  -7.810
  275    HO4  MAN  35           HO4      MAN  35   0.273  12.165  -9.177
  276    H1   MAN  36           H1       MAN  36   1.714  10.190  -5.804
  277    H2   MAN  36           H2       MAN  36   0.273  10.266  -3.757
  278    H3   MAN  36           H3       MAN  36  -0.621  12.509  -3.921
  279    H4   MAN  36           H4       MAN  36   2.228  13.497  -3.537
  280    H5   MAN  36           H5       MAN  36   0.433  13.587  -6.014
  281   1H6   MAN  36          1H6       MAN  36   1.854  15.570  -5.829
  282   2H6   MAN  36          2H6       MAN  36   2.426  14.499  -7.133
  283    HO2  MAN  36           HO2      MAN  36   2.564   9.974  -3.676
  284    HO4  MAN  36           HO4      MAN  36  -0.246  14.848  -4.056
  285    H1   MAN  37           H1       MAN  37  -3.125  12.730 -11.877
  286    H2   MAN  37           H2       MAN  37  -2.632  15.159 -11.546
  287    H3   MAN  37           H3       MAN  37  -4.262  15.648  -9.812
  288    H4   MAN  37           H4       MAN  37  -6.386  15.163 -11.942
  289    H5   MAN  37           H5       MAN  37  -5.706  13.566  -9.427
  290   1H6   MAN  37          1H6       MAN  37  -7.289  11.894 -10.418
  291   2H6   MAN  37          2H6       MAN  37  -7.778  13.113 -11.617
  292    HO3  MAN  37           HO3      MAN  37  -5.182  17.535 -10.787
  293    HO4  MAN  37           HO4      MAN  37  -6.854  16.794 -10.366
  294    HO6  MAN  37           HO6      MAN  37  -7.958  13.356  -8.787
  295    H1   MAN  38           H1       MAN  38   4.315  15.775  -6.888
  296    H2   MAN  38           H2       MAN  38   6.125  14.243  -6.054
  297    H3   MAN  38           H3       MAN  38   5.546  14.172  -3.702
  298    H4   MAN  38           H4       MAN  38   6.317  17.116  -3.603
  299    H5   MAN  38           H5       MAN  38   3.581  15.777  -3.334
  300   1H6   MAN  38          1H6       MAN  38   3.756  17.767  -1.903
  301   2H6   MAN  38          2H6       MAN  38   2.680  18.048  -3.286
  302    HO2  MAN  38           HO2      MAN  38   6.530  17.052  -5.647
  303    HO3  MAN  38           HO3      MAN  38   7.642  14.677  -2.843
  304    HO4  MAN  38           HO4      MAN  38   5.567  16.882  -1.438
  305    HO6  MAN  38           HO6      MAN  38   5.389  18.873  -3.061
  306    H1   MAN  39           H1       MAN  39  -1.652  11.887  -2.021
  307    H2   MAN  39           H2       MAN  39  -1.052  13.367  -0.084
  308    H3   MAN  39           H3       MAN  39   1.093  12.424   0.532
  309    H4   MAN  39           H4       MAN  39  -0.440   9.899   1.282
  310    H5   MAN  39           H5       MAN  39   1.541  10.458  -0.975
  311   1H6   MAN  39          1H6       MAN  39   1.781   8.162  -0.146
  312   2H6   MAN  39          2H6       MAN  39   1.007   8.186  -1.745
  313    HO2  MAN  39           HO2      MAN  39  -2.910  11.982  -0.119
  314    HO3  MAN  39           HO3      MAN  39  -0.888  11.892   2.534
  315    HO4  MAN  39           HO4      MAN  39   2.352  10.556   1.299
  316    HO6  MAN  39           HO6      MAN  39  -0.062   6.790  -0.283
  317    H1   MAN  40           H1       MAN  40  -2.121  14.482 -13.763
  318    H2   MAN  40           H2       MAN  40  -2.373  16.873 -12.939
  319    H3   MAN  40           H3       MAN  40  -4.584  17.343 -13.842
  320    H4   MAN  40           H4       MAN  40  -3.305  17.137 -16.596
  321    H5   MAN  40           H5       MAN  40  -5.343  15.318 -15.221
  322   1H6   MAN  40          1H6       MAN  40  -5.691  15.458 -17.661
  323   2H6   MAN  40          2H6       MAN  40  -5.064  13.869 -17.174
  324    HO2  MAN  40           HO2      MAN  40  -1.596  16.485 -15.668
  325    HO3  MAN  40           HO3      MAN  40  -3.063  19.086 -13.662
  326    HO4  MAN  40           HO4      MAN  40  -6.001  17.579 -15.724
  327    HO6  MAN  40           HO6      MAN  40  -3.983  14.724 -19.007
  328   1HN   NH2  41          1HN       NH2  41  10.643 -13.520   8.315
  329   2HN   NH2  41          2HN       NH2  41  11.943 -14.305   9.187
  Start of MODEL    3
    1   1H    CYS   1          1H        CYS   1  -5.150   7.517  -1.825
    2   2H    CYS   1          2H        CYS   1  -3.995   8.676  -1.624
    3   3H    CYS   1          3H        CYS   1  -3.566   7.161  -2.114
    4    HA   CYS   1           HA       CYS   1  -4.251   6.216  -0.069
    5   1HB   CYS   1          1HB       CYS   1  -1.924   7.032  -0.425
    6   2HB   CYS   1          2HB       CYS   1  -2.367   8.565   0.316
    7    H    SER   2           H        SER   2  -6.588   7.214  -0.253
    8    HA   SER   2           HA       SER   2  -7.237   9.475   1.408
    9   1HB   SER   2          1HB       SER   2  -8.942   7.139   0.422
   10   2HB   SER   2          2HB       SER   2  -9.551   8.636   1.161
   11    HG   SER   2           HG       SER   2  -9.544   8.685  -1.132
   12    H    ASN   3           H        ASN   3  -7.727   5.971   1.814
   13    HA   ASN   3           HA       ASN   3  -7.831   6.057   4.746
   14   1HB   ASN   3          1HB       ASN   3  -7.985   3.577   4.491
   15   2HB   ASN   3          2HB       ASN   3  -9.208   4.436   3.553
   16   1HD2  ASN   3          1HD2      ASN   3  -9.142   4.428   1.326
   17    H    LEU   4           H        LEU   4  -6.357   4.298   5.789
   18    HA   LEU   4           HA       LEU   4  -3.571   4.392   4.748
   19   1HB   LEU   4          1HB       LEU   4  -2.769   4.725   7.023
   20   2HB   LEU   4          2HB       LEU   4  -3.671   6.107   6.430
   21    HG   LEU   4           HG       LEU   4  -5.200   4.071   8.057
   22   1HD1  LEU   4          1HD1      LEU   4  -3.248   6.080   9.252
   23   2HD1  LEU   4          2HD1      LEU   4  -4.440   5.121  10.156
   24   3HD1  LEU   4          3HD1      LEU   4  -3.107   4.309   9.320
   25   1HD2  LEU   4          1HD2      LEU   4  -5.197   7.126   7.992
   26   2HD2  LEU   4          2HD2      LEU   4  -6.371   6.089   7.160
   27   3HD2  LEU   4          3HD2      LEU   4  -6.303   6.101   8.924
   28    H    SER   5           H        SER   5  -5.234   2.347   4.126
   29    HA   SER   5           HA       SER   5  -4.425   0.123   5.957
   30   1HB   SER   5          1HB       SER   5  -6.379  -1.085   5.089
   31   2HB   SER   5          2HB       SER   5  -6.816   0.397   5.955
   32    HG   SER   5           HG       SER   5  -6.999   1.412   3.878
   33    H    THR   6           H        THR   6  -5.606   0.047   2.592
   34    HA   THR   6           HA       THR   6  -3.569  -1.755   1.748
   35    HB   THR   6           HB       THR   6  -5.837  -1.540   0.755
   36    HG1  THR   6           HG1      THR   6  -5.060  -1.862  -1.362
   37   1HG2  THR   6          1HG2      THR   6  -5.877   0.986   0.593
   38   2HG2  THR   6          2HG2      THR   6  -4.722   0.870  -0.751
   39   3HG2  THR   6          3HG2      THR   6  -6.323   0.129  -0.895
   40    H    CYS   7           H        CYS   7  -3.792   1.772   1.787
   41    HA   CYS   7           HA       CYS   7  -1.603   2.431   0.108
   42   1HB   CYS   7          1HB       CYS   7  -3.184   4.094   0.836
   43   2HB   CYS   7          2HB       CYS   7  -2.823   3.781   2.537
   44    H    VAL   8           H        VAL   8  -1.759   1.890   3.679
   45    HA   VAL   8           HA       VAL   8   1.034   2.257   4.116
   46    HB   VAL   8           HB       VAL   8  -1.146   0.926   5.765
   47   1HG1  VAL   8          1HG2      VAL   8   1.737   1.572   6.526
   48   2HG1  VAL   8          2HG2      VAL   8   0.448   1.174   7.681
   49   3HG1  VAL   8          3HG2      VAL   8   0.976  -0.035   6.509
   50   1HG2  VAL   8          1HG1      VAL   8  -1.370   3.381   5.377
   51   2HG2  VAL   8          2HG1      VAL   8  -0.985   3.019   7.069
   52   3HG2  VAL   8          3HG1      VAL   8   0.280   3.621   5.981
   53    H    LEU   9           H        LEU   9  -0.939  -0.750   3.787
   54    HA   LEU   9           HA       LEU   9   1.180  -2.590   4.102
   55   1HB   LEU   9          1HB       LEU   9  -1.400  -2.732   2.503
   56   2HB   LEU   9          2HB       LEU   9  -0.353  -4.128   2.780
   57    HG   LEU   9           HG       LEU   9  -1.568  -2.510   5.066
   58   1HD1  LEU   9          1HD1      LEU   9  -3.370  -3.452   3.672
   59   2HD1  LEU   9          2HD1      LEU   9  -2.605  -5.054   3.750
   60   3HD1  LEU   9          3HD1      LEU   9  -3.255  -4.300   5.223
   61   1HD2  LEU   9          1HD2      LEU   9  -0.325  -5.294   4.935
   62   2HD2  LEU   9          2HD2      LEU   9   0.377  -3.870   5.735
   63   3HD2  LEU   9          3HD2      LEU   9  -1.114  -4.583   6.357
   64    H    GLY  10           H        GLY  10  -0.067  -1.000   1.143
   65   1HA   GLY  10          1HA       GLY  10   1.611  -2.270  -0.751
   66   2HA   GLY  10          2HA       GLY  10   0.823  -0.693  -0.917
   67    H    LYS  11           H        LYS  11   2.029   0.748   1.165
   68    HA   LYS  11           HA       LYS  11   4.432   1.628  -0.042
   69   1HB   LYS  11          1HB       LYS  11   2.873   2.986   1.299
   70   2HB   LYS  11          2HB       LYS  11   3.393   2.140   2.774
   71   1HG   LYS  11          1HG       LYS  11   5.761   2.943   2.223
   72   2HG   LYS  11          2HG       LYS  11   5.043   3.937   0.951
   73   1HD   LYS  11          1HD       LYS  11   4.498   4.103   3.958
   74   2HD   LYS  11          2HD       LYS  11   5.459   5.214   2.980
   75   1HE   LYS  11          1HE       LYS  11   3.478   6.377   3.193
   76   2HE   LYS  11          2HE       LYS  11   3.263   5.609   1.613
   77   1HZ   LYS  11          1HZ       LYS  11   2.195   4.657   4.188
   78   2HZ   LYS  11          2HZ       LYS  11   1.337   5.451   3.029
   79   3HZ   LYS  11          3HZ       LYS  11   1.922   3.943   2.730
   80    H    LEU  12           H        LEU  12   3.870  -0.273   2.974
   81    HA   LEU  12           HA       LEU  12   6.588  -0.662   3.680
   82   1HB   LEU  12          1HB       LEU  12   4.106  -2.350   4.164
   83   2HB   LEU  12          2HB       LEU  12   5.663  -2.658   4.941
   84    HG   LEU  12           HG       LEU  12   4.178  -0.009   5.203
   85   1HD1  LEU  12          1HD1      LEU  12   2.792  -1.846   6.096
   86   2HD1  LEU  12          2HD1      LEU  12   4.163  -2.416   7.072
   87   3HD1  LEU  12          3HD1      LEU  12   3.428  -0.832   7.404
   88   1HD2  LEU  12          1HD2      LEU  12   6.456  -1.260   6.802
   89   2HD2  LEU  12          2HD2      LEU  12   6.575   0.162   5.743
   90   3HD2  LEU  12          3HD2      LEU  12   5.613   0.244   7.221
   91    H    SER  13           H        SER  13   4.373  -2.708   1.731
   92    HA   SER  13           HA       SER  13   6.159  -4.802   1.166
   93   1HB   SER  13          1HB       SER  13   3.747  -4.902   0.739
   94   2HB   SER  13          2HB       SER  13   3.901  -3.690  -0.550
   95    HG   SER  13           HG       SER  13   5.173  -6.227  -0.473
   96    H    GLN  14           H        GLN  14   5.640  -1.706  -0.578
   97    HA   GLN  14           HA       GLN  14   7.374  -2.216  -2.759
   98   1HB   GLN  14          1HB       GLN  14   5.648  -0.480  -2.740
   99   2HB   GLN  14          2HB       GLN  14   6.525   0.415  -1.488
  100   1HG   GLN  14          1HG       GLN  14   8.430   0.740  -3.046
  101   2HG   GLN  14          2HG       GLN  14   7.589  -0.226  -4.272
  102   1HE2  GLN  14          2HE2      GLN  14   7.074   2.655  -2.142
  103   2HE2  GLN  14          1HE2      GLN  14   6.207   3.594  -3.337
  104    H    GLU  15           H        GLU  15   7.954  -0.545   0.385
  105    HA   GLU  15           HA       GLU  15  10.659   0.171  -0.075
  106   1HB   GLU  15          1HB       GLU  15   9.065  -0.353   2.458
  107   2HB   GLU  15          2HB       GLU  15  10.731   0.247   2.469
  108   1HG   GLU  15          1HG       GLU  15  10.130   2.238   1.247
  109   2HG   GLU  15          2HG       GLU  15   8.480   1.670   0.987
  110    H    LEU  16           H        LEU  16   9.244  -2.721   1.531
  111    HA   LEU  16           HA       LEU  16  11.690  -3.983   2.210
  112   1HB   LEU  16          1HB       LEU  16   8.904  -5.054   1.643
  113   2HB   LEU  16          2HB       LEU  16  10.216  -6.075   2.237
  114    HG   LEU  16           HG       LEU  16   9.317  -3.578   3.737
  115   1HD1  LEU  16          1HD1      LEU  16   7.394  -5.112   3.499
  116   2HD1  LEU  16          2HD1      LEU  16   8.385  -6.455   4.107
  117   3HD1  LEU  16          3HD1      LEU  16   7.990  -5.083   5.166
  118   1HD2  LEU  16          1HD2      LEU  16  10.875  -6.060   4.587
  119   2HD2  LEU  16          2HD2      LEU  16  11.545  -4.427   4.386
  120   3HD2  LEU  16          3HD2      LEU  16  10.362  -4.742   5.659
  121    H    HIS  17           H        HIS  17   9.622  -4.295  -0.725
  122    HA   HIS  17           HA       HIS  17  11.241  -6.253  -2.004
  123   1HB   HIS  17          1HB       HIS  17   8.935  -5.829  -2.659
  124   2HB   HIS  17          2HB       HIS  17   9.347  -4.182  -3.165
  125    HD1  HIS  17           HD1      HIS  17  10.666  -7.718  -3.964
  126    HD2  HIS  17           HD2      HIS  17   9.834  -4.074  -5.862
  127    HE1  HIS  17           HE1      HIS  17  11.204  -8.008  -6.430
  128    H    LYS  18           H        LYS  18  11.352  -2.673  -1.992
  129    HA   LYS  18           HA       LYS  18  13.167  -2.358  -4.131
  130   1HB   LYS  18          1HB       LYS  18  11.799  -0.513  -3.279
  131   2HB   LYS  18          2HB       LYS  18  12.583  -0.608  -1.711
  132   1HG   LYS  18          1HG       LYS  18  13.424   1.276  -2.988
  133   2HG   LYS  18          2HG       LYS  18  14.700   0.127  -2.611
  134   1HD   LYS  18          1HD       LYS  18  14.984   0.991  -4.822
  135   2HD   LYS  18          2HD       LYS  18  14.641  -0.732  -4.948
  136   1HE   LYS  18          1HE       LYS  18  12.435   1.360  -5.234
  137   2HE   LYS  18          2HE       LYS  18  13.505   0.963  -6.585
  138   1HZ   LYS  18          1HZ       LYS  18  12.840  -1.299  -6.428
  139   2HZ   LYS  18          2HZ       LYS  18  11.802  -0.965  -5.195
  140   3HZ   LYS  18          3HZ       LYS  18  11.543  -0.315  -6.684
  141    H    LEU  19           H        LEU  19  13.829  -2.247  -0.563
  142    HA   LEU  19           HA       LEU  19  16.645  -2.191  -0.931
  143   1HB   LEU  19          1HB       LEU  19  16.841  -2.421   1.435
  144   2HB   LEU  19          2HB       LEU  19  15.536  -1.320   1.014
  145    HG   LEU  19           HG       LEU  19  14.029  -3.515   1.322
  146   1HD1  LEU  19          1HD1      LEU  19  15.961  -5.050   1.853
  147   2HD1  LEU  19          2HD1      LEU  19  16.371  -4.009   3.225
  148   3HD1  LEU  19          3HD1      LEU  19  14.833  -4.892   3.202
  149   1HD2  LEU  19          1HD2      LEU  19  15.136  -1.858   3.621
  150   2HD2  LEU  19          2HD2      LEU  19  13.778  -1.408   2.568
  151   3HD2  LEU  19          3HD2      LEU  19  13.631  -2.803   3.649
  152    H    GLN  20           H        GLN  20  14.376  -4.920  -0.641
  153    HA   GLN  20           HA       GLN  20  16.283  -7.000  -0.323
  154   1HB   GLN  20          1HB       GLN  20  13.979  -7.398   0.046
  155   2HB   GLN  20          2HB       GLN  20  13.522  -6.906  -1.588
  156   1HG   GLN  20          1HG       GLN  20  15.387  -9.261  -1.140
  157   2HG   GLN  20          2HG       GLN  20  13.639  -9.432  -0.952
  158   1HE2  GLN  20          2HE2      GLN  20  16.155  -9.563  -3.240
  159   2HE2  GLN  20          1HE2      GLN  20  15.165  -9.526  -4.683
  160    H    THR  21           H        THR  21  14.852  -5.546  -3.301
  161    HA   THR  21           HA       THR  21  16.845  -6.902  -4.998
  162    HB   THR  21           HB       THR  21  14.683  -4.940  -5.842
  163    HG1  THR  21           HG1      THR  21  13.393  -6.775  -6.108
  164   1HG2  THR  21          1HG2      THR  21  16.016  -7.307  -7.258
  165   2HG2  THR  21          2HG2      THR  21  14.741  -6.275  -7.933
  166   3HG2  THR  21          3HG2      THR  21  16.345  -5.602  -7.620
  167    H    TYR  22           H        TYR  22  18.040  -5.262  -3.127
  168    HA   TYR  22           HA       TYR  22  19.620  -3.810  -2.846
  169   1HB   TYR  22          1HB       TYR  22  19.621  -3.261  -5.827
  170   2HB   TYR  22          2HB       TYR  22  20.865  -2.827  -4.663
  171    HD1  TYR  22           HD1      TYR  22  22.286  -4.556  -3.590
  172    HD2  TYR  22           HD2      TYR  22  19.494  -5.517  -6.732
  173    HE1  TYR  22           HE1      TYR  22  23.496  -6.676  -4.021
  174    HE2  TYR  22           HE2      TYR  22  20.682  -7.651  -7.133
  175    HH   TYR  22           HH       TYR  22  23.586  -8.608  -5.262
  176    HA   PRO  23           HA       PRO  23  17.256   0.069  -2.496
  177   1HB   PRO  23          1HB       PRO  23  19.116   1.601  -1.181
  178   2HB   PRO  23          2HB       PRO  23  18.127   0.343  -0.387
  179   1HG   PRO  23          1HG       PRO  23  20.967   0.090  -1.393
  180   2HG   PRO  23          2HG       PRO  23  20.303  -0.432   0.179
  181   1HD   PRO  23          1HD       PRO  23  20.637  -2.144  -1.902
  182   2HD   PRO  23          2HD       PRO  23  19.242  -2.310  -0.792
  183    H    ARG  24           H        ARG  24  20.704  -0.039  -3.469
  184    HA   ARG  24           HA       ARG  24  20.374   1.934  -5.639
  185   1HB   ARG  24          1HB       ARG  24  22.592   0.063  -4.724
  186   2HB   ARG  24          2HB       ARG  24  22.709   1.024  -6.196
  187   1HG   ARG  24          1HG       ARG  24  22.207   2.253  -3.446
  188   2HG   ARG  24          2HG       ARG  24  23.816   1.963  -4.106
  189   1HD   ARG  24          1HD       ARG  24  21.704   3.764  -5.353
  190   2HD   ARG  24          2HD       ARG  24  23.140   4.290  -4.478
  191    HE   ARG  24           HE       ARG  24  22.958   3.402  -7.226
  192   1HH1  ARG  24          1HH2      ARG  24  25.223   3.603  -4.476
  193   2HH1  ARG  24          2HH2      ARG  24  26.632   3.488  -5.502
  194   1HH2  ARG  24          1HH1      ARG  24  24.819   3.237  -8.512
  195   2HH2  ARG  24          2HH1      ARG  24  26.407   3.284  -7.781
  196    H    THR  25           H        THR  25  18.608   0.955  -6.793
  197    HA   THR  25           HA       THR  25  18.635  -1.734  -7.766
  198    HB   THR  25           HB       THR  25  17.037  -0.851  -9.474
  199    HG1  THR  25           HG1      THR  25  16.421   1.334  -9.239
  200   1HG2  THR  25          1HG2      THR  25  16.258  -1.591  -7.235
  201   2HG2  THR  25          2HG2      THR  25  16.478   0.062  -6.618
  202   3HG2  THR  25          3HG2      THR  25  15.272  -0.265  -7.880
  203    H    ASP  26           H        ASP  26  19.762  -2.645  -9.382
  204    HA   ASP  26           HA       ASP  26  21.538  -3.022 -10.685
  205   1HB   ASP  26          1HB       ASP  26  20.405  -1.634 -12.386
  206   2HB   ASP  26          2HB       ASP  26  21.221  -0.190 -11.779
  207    H    VAL  27           H        VAL  27  22.588  -3.222  -8.668
  208    HA   VAL  27           HA       VAL  27  23.477  -1.086  -7.142
  209    HB   VAL  27           HB       VAL  27  22.980  -3.291  -6.283
  210   1HG1  VAL  27          1HG1      VAL  27  24.019  -4.714  -8.039
  211   2HG1  VAL  27          2HG1      VAL  27  25.631  -4.233  -7.465
  212   3HG1  VAL  27          3HG1      VAL  27  24.551  -5.156  -6.412
  213   1HG2  VAL  27          1HG2      VAL  27  24.393  -1.717  -4.980
  214   2HG2  VAL  27          2HG2      VAL  27  24.721  -3.420  -4.602
  215   3HG2  VAL  27          3HG2      VAL  27  25.849  -2.508  -5.620
  216    H    GLY  28           H        GLY  28  25.246   0.036  -6.856
  217   1HA   GLY  28          1HA       GLY  28  27.749  -0.564  -8.383
  218   2HA   GLY  28          2HA       GLY  28  27.154   1.078  -8.077
  219    H    ALA  29           H        ALA  29  26.280   1.069  -5.535
  220    HA   ALA  29           HA       ALA  29  28.090  -0.278  -3.686
  221   1HB   ALA  29          1HB       ALA  29  28.182   2.757  -4.001
  222   2HB   ALA  29          2HB       ALA  29  28.927   1.825  -2.683
  223   3HB   ALA  29          3HB       ALA  29  29.499   1.620  -4.347
  224    H    GLY  30           H        GLY  30  25.951  -1.155  -3.228
  225   1HA   GLY  30          1HA       GLY  30  24.679   0.155  -1.007
  226   2HA   GLY  30          2HA       GLY  30  23.671   0.255  -2.460
  227    H    THR  31           H        THR  31  25.135  -1.879  -0.095
  228    HA   THR  31           HA       THR  31  24.391  -4.373  -1.130
  229    HB   THR  31           HB       THR  31  26.048  -3.975   0.646
  230    HG1  THR  31           HG1      THR  31  25.099  -6.017   0.418
  231   1HG2  THR  31          1HG2      THR  31  24.799  -2.269   1.996
  232   2HG2  THR  31          2HG2      THR  31  23.687  -3.548   2.536
  233   3HG2  THR  31          3HG2      THR  31  25.403  -3.624   2.964
  234    HA   PRO  32           HA       PRO  32  20.000  -4.573  -0.616
  235   1HB   PRO  32          1HB       PRO  32  20.449  -7.237   0.758
  236   2HB   PRO  32          2HB       PRO  32  19.216  -6.807  -0.464
  237   1HG   PRO  32          1HG       PRO  32  21.458  -8.081  -1.250
  238   2HG   PRO  32          2HG       PRO  32  20.895  -6.656  -2.175
  239   1HD   PRO  32          1HD       PRO  32  23.043  -6.778  -0.047
  240   2HD   PRO  32          2HD       PRO  32  23.107  -6.010  -1.659
  241    H1   NAG  33           H1       NAG  33  -6.880   3.064  -0.058
  242    H2   NAG  33           H2       NAG  33  -9.868   2.776  -0.636
  243    H3   NAG  33           H3       NAG  33  -7.467   1.552  -2.055
  244    H4   NAG  33           H4       NAG  33  -9.361   3.699  -3.076
  245    H5   NAG  33           H5       NAG  33  -6.460   4.003  -2.175
  246   1H6   NAG  33          1H6       NAG  33  -7.085   5.558  -4.000
  247   2H6   NAG  33          2H6       NAG  33  -6.829   6.397  -2.456
  248   1H8   NAG  33          1H8       NAG  33  -9.297  -0.481   2.324
  249   2H8   NAG  33          2H8       NAG  33 -10.441  -1.465   1.385
  250   3H8   NAG  33          3H8       NAG  33  -8.723  -1.425   0.929
  251    HN2  NAG  33           HN2      NAG  33  -7.906   0.977   0.657
  252    HO3  NAG  33           HO3      NAG  33 -10.289   1.560  -2.583
  253    HO6  NAG  33           HO6      NAG  33  -9.330   5.675  -3.584
  254    H1   NAG  34           H1       NAG  34  -9.111   1.666  -4.960
  255    H2   NAG  34           H2       NAG  34  -6.519   2.359  -6.421
  256    H3   NAG  34           H3       NAG  34  -8.813   0.650  -7.436
  257    H4   NAG  34           H4       NAG  34  -6.145  -0.477  -6.535
  258    H5   NAG  34           H5       NAG  34  -8.735  -0.555  -4.928
  259   1H6   NAG  34          1H6       NAG  34  -5.897  -1.456  -4.266
  260   2H6   NAG  34          2H6       NAG  34  -7.280  -2.524  -4.610
  261   1H8   NAG  34          1H8       NAG  34  -9.828   4.439  -8.872
  262   2H8   NAG  34          2H8       NAG  34  -9.132   5.706  -7.833
  263   3H8   NAG  34          3H8       NAG  34  -8.485   5.433  -9.465
  264    HN2  NAG  34           HN2      NAG  34  -9.329   3.238  -6.752
  265    HO3  NAG  34           HO3      NAG  34  -7.422   1.655  -8.965
  266    HO6  NAG  34           HO6      NAG  34  -8.331  -1.554  -2.802
  267    H1   MAN  35           H1       MAN  35  -6.566  -1.777  -8.730
  268    H2   MAN  35           H2       MAN  35  -7.199  -4.095  -8.162
  269    H3   MAN  35           H3       MAN  35  -6.799  -3.609 -10.471
  270    H4   MAN  35           H4       MAN  35  -9.741  -2.897 -10.816
  271    H5   MAN  35           H5       MAN  35  -7.255  -1.136 -10.802
  272   1H6   MAN  35          1H6       MAN  35 -10.145  -0.219 -10.843
  273   2H6   MAN  35          2H6       MAN  35  -9.188  -0.472 -12.330
  274    HO2  MAN  35           HO2      MAN  35  -9.257  -3.548  -7.231
  275    HO4  MAN  35           HO4      MAN  35  -8.986  -2.359 -12.905
  276    H1   MAN  36           H1       MAN  36 -10.100   2.303 -10.961
  277    H2   MAN  36           H2       MAN  36 -10.276   1.105 -13.157
  278    H3   MAN  36           H3       MAN  36  -7.833   0.885 -13.515
  279    H4   MAN  36           H4       MAN  36  -7.919   3.863 -14.096
  280    H5   MAN  36           H5       MAN  36  -6.555   2.342 -11.816
  281   1H6   MAN  36          1H6       MAN  36  -5.379   4.388 -12.531
  282   2H6   MAN  36          2H6       MAN  36  -6.099   4.566 -10.914
  283    HO2  MAN  36           HO2      MAN  36  -9.753   3.910 -13.322
  284    HO4  MAN  36           HO4      MAN  36  -5.796   1.939 -14.056
  285    H1   MAN  37           H1       MAN  37 -10.211  -4.898 -10.018
  286    H2   MAN  37           H2       MAN  37  -9.385  -7.157  -9.363
  287    H3   MAN  37           H3       MAN  37  -7.929  -7.600 -11.255
  288    H4   MAN  37           H4       MAN  37 -10.471  -7.746 -12.929
  289    H5   MAN  37           H5       MAN  37  -8.225  -5.673 -12.993
  290   1H6   MAN  37          1H6       MAN  37 -10.882  -5.850 -14.487
  291   2H6   MAN  37          2H6       MAN  37  -9.268  -6.094 -15.198
  292    HO3  MAN  37           HO3      MAN  37 -10.185  -9.368 -11.206
  293    HO4  MAN  37           HO4      MAN  37  -7.689  -7.936 -13.595
  294    HO6  MAN  37           HO6      MAN  37 -10.210  -3.720 -13.961
  295    H1   MAN  38           H1       MAN  38  -5.273   6.603 -12.176
  296    H2   MAN  38           H2       MAN  38  -6.708   6.807 -10.117
  297    H3   MAN  38           H3       MAN  38  -8.887   6.993 -11.188
  298    H4   MAN  38           H4       MAN  38  -7.921   9.685 -12.232
  299    H5   MAN  38           H5       MAN  38  -8.533   7.083 -13.719
  300   1H6   MAN  38          1H6       MAN  38  -9.110   9.072 -15.047
  301   2H6   MAN  38          2H6       MAN  38  -7.678   8.247 -15.695
  302    HO2  MAN  38           HO2      MAN  38  -5.079   8.363 -10.659
  303    HO3  MAN  38           HO3      MAN  38  -8.563   8.065  -9.158
  304    HO4  MAN  38           HO4      MAN  38 -10.177   9.511 -11.722
  305    HO6  MAN  38           HO6      MAN  38  -6.401   9.806 -14.591
  306    H1   MAN  39           H1       MAN  39  -9.665  -0.193 -15.046
  307    H2   MAN  39           H2       MAN  39  -7.143  -0.486 -14.821
  308    H3   MAN  39           H3       MAN  39  -6.455   1.042 -16.585
  309    H4   MAN  39           H4       MAN  39  -7.702  -0.952 -18.519
  310    H5   MAN  39           H5       MAN  39  -8.556   1.894 -17.798
  311   1H6   MAN  39          1H6       MAN  39  -9.025   1.333 -20.159
  312   2H6   MAN  39          2H6       MAN  39 -10.511   1.465 -19.194
  313    HO2  MAN  39           HO2      MAN  39  -8.562  -2.229 -15.356
  314    HO3  MAN  39           HO3      MAN  39  -5.128  -0.804 -16.115
  315    HO4  MAN  39           HO4      MAN  39  -6.436   1.592 -18.899
  316    HO6  MAN  39           HO6      MAN  39  -9.187  -0.937 -19.934
  317    H1   MAN  40           H1       MAN  40 -11.352  -7.768  -8.432
  318    H2   MAN  40           H2       MAN  40 -13.114  -8.892  -9.818
  319    H3   MAN  40           H3       MAN  40 -13.673  -7.068 -11.321
  320    H4   MAN  40           H4       MAN  40 -14.780  -5.639  -8.867
  321    H5   MAN  40           H5       MAN  40 -12.355  -5.015 -10.614
  322   1H6   MAN  40          1H6       MAN  40 -13.449  -2.971  -9.763
  323   2H6   MAN  40          2H6       MAN  40 -11.871  -3.246  -8.999
  324    HO2  MAN  40           HO2      MAN  40 -13.322  -8.548  -7.534
  325    HO3  MAN  40           HO3      MAN  40 -15.974  -7.137 -11.039
  326    HO4  MAN  40           HO4      MAN  40 -15.880  -5.255 -10.870
  327    HO6  MAN  40           HO6      MAN  40 -12.998  -4.153  -7.217
  328   1HN   NH2  41          1HN       NH2  41  20.661  -4.946   3.492
  329   2HN   NH2  41          2HN       NH2  41  21.670  -5.814   2.355
  Start of MODEL    4
    1   1H    CYS   1          1H        CYS   1  -3.417   8.463  -1.422
    2   2H    CYS   1          2H        CYS   1  -3.671   9.360  -0.061
    3   3H    CYS   1          3H        CYS   1  -2.177   8.733  -0.368
    4    HA   CYS   1           HA       CYS   1  -2.979   6.526  -0.160
    5   1HB   CYS   1          1HB       CYS   1  -3.532   8.404   2.167
    6   2HB   CYS   1          2HB       CYS   1  -3.657   6.657   2.312
    7    H    SER   2           H        SER   2  -5.507   8.892   0.689
    8    HA   SER   2           HA       SER   2  -7.738   8.853   0.626
    9   1HB   SER   2          1HB       SER   2  -7.665   7.535  -1.488
   10   2HB   SER   2          2HB       SER   2  -7.744   6.040  -0.532
   11    HG   SER   2           HG       SER   2  -9.787   6.733  -1.189
   12    H    ASN   3           H        ASN   3  -6.371   5.698   1.662
   13    HA   ASN   3           HA       ASN   3  -7.456   6.110   4.368
   14   1HB   ASN   3          1HB       ASN   3  -8.261   3.752   4.441
   15   2HB   ASN   3          2HB       ASN   3  -9.207   4.777   3.356
   16   1HD2  ASN   3          1HD2      ASN   3  -8.985   4.552   1.090
   17    H    LEU   4           H        LEU   4  -6.143   5.289   5.930
   18    HA   LEU   4           HA       LEU   4  -3.431   4.491   5.119
   19   1HB   LEU   4          1HB       LEU   4  -4.629   5.062   7.855
   20   2HB   LEU   4          2HB       LEU   4  -2.912   4.840   7.487
   21    HG   LEU   4           HG       LEU   4  -4.693   7.112   6.487
   22   1HD1  LEU   4          1HD1      LEU   4  -4.127   7.231   8.887
   23   2HD1  LEU   4          2HD1      LEU   4  -2.401   7.075   8.494
   24   3HD1  LEU   4          3HD1      LEU   4  -3.312   8.506   7.964
   25   1HD2  LEU   4          1HD2      LEU   4  -1.723   6.568   6.031
   26   2HD2  LEU   4          2HD2      LEU   4  -2.994   6.661   4.790
   27   3HD2  LEU   4          3HD2      LEU   4  -2.535   8.110   5.687
   28    H    SER   5           H        SER   5  -4.461   2.497   4.186
   29    HA   SER   5           HA       SER   5  -3.935   0.274   6.019
   30   1HB   SER   5          1HB       SER   5  -6.351   0.583   6.351
   31   2HB   SER   5          2HB       SER   5  -6.629   0.565   4.601
   32    HG   SER   5           HG       SER   5  -5.511  -1.541   6.142
   33    H    THR   6           H        THR   6  -5.422   0.922   2.796
   34    HA   THR   6           HA       THR   6  -3.868  -0.999   1.346
   35    HB   THR   6           HB       THR   6  -4.570   0.339  -0.628
   36    HG1  THR   6           HG1      THR   6  -5.782   2.032   1.296
   37   1HG2  THR   6          1HG2      THR   6  -6.115  -1.360   0.346
   38   2HG2  THR   6          2HG2      THR   6  -6.876  -0.087   1.324
   39   3HG2  THR   6          3HG2      THR   6  -6.961  -0.024  -0.448
   40    H    CYS   7           H        CYS   7  -3.456   2.465   2.124
   41    HA   CYS   7           HA       CYS   7  -1.146   2.911   0.532
   42   1HB   CYS   7          1HB       CYS   7  -2.836   4.549   1.545
   43   2HB   CYS   7          2HB       CYS   7  -1.902   4.442   3.040
   44    H    VAL   8           H        VAL   8  -1.612   2.000   3.965
   45    HA   VAL   8           HA       VAL   8   1.118   2.190   4.766
   46    HB   VAL   8           HB       VAL   8  -1.244   0.632   5.898
   47   1HG1  VAL   8          1HG2      VAL   8   1.502   1.186   7.109
   48   2HG1  VAL   8          2HG2      VAL   8   0.099   0.568   8.005
   49   3HG1  VAL   8          3HG2      VAL   8   0.818  -0.409   6.722
   50   1HG2  VAL   8          1HG1      VAL   8  -1.501   3.114   5.885
   51   2HG2  VAL   8          2HG1      VAL   8  -1.329   2.475   7.527
   52   3HG2  VAL   8          3HG1      VAL   8   0.048   3.268   6.734
   53    H    LEU   9           H        LEU   9  -0.900  -0.695   3.952
   54    HA   LEU   9           HA       LEU   9   1.195  -2.595   3.985
   55   1HB   LEU   9          1HB       LEU   9  -1.416  -2.499   2.431
   56   2HB   LEU   9          2HB       LEU   9  -0.390  -3.933   2.535
   57    HG   LEU   9           HG       LEU   9  -1.583  -2.570   4.994
   58   1HD1  LEU   9          1HD1      LEU   9  -3.376  -3.384   3.500
   59   2HD1  LEU   9          2HD1      LEU   9  -2.599  -4.981   3.433
   60   3HD1  LEU   9          3HD1      LEU   9  -3.259  -4.371   4.966
   61   1HD2  LEU   9          1HD2      LEU   9  -0.306  -5.307   4.570
   62   2HD2  LEU   9          2HD2      LEU   9   0.369  -3.969   5.525
   63   3HD2  LEU   9          3HD2      LEU   9  -1.112  -4.768   6.056
   64    H    GLY  10           H        GLY  10  -0.012  -0.502   1.352
   65   1HA   GLY  10          1HA       GLY  10   1.484  -1.550  -0.795
   66   2HA   GLY  10          2HA       GLY  10   0.886   0.110  -0.635
   67    H    LYS  11           H        LYS  11   2.259   1.120   1.507
   68    HA   LYS  11           HA       LYS  11   4.758   1.801   0.382
   69   1HB   LYS  11          1HB       LYS  11   3.461   3.292   1.834
   70   2HB   LYS  11          2HB       LYS  11   3.655   2.185   3.191
   71   1HG   LYS  11          1HG       LYS  11   5.166   4.096   3.377
   72   2HG   LYS  11          2HG       LYS  11   6.050   2.581   3.280
   73   1HD   LYS  11          1HD       LYS  11   7.129   4.353   1.971
   74   2HD   LYS  11          2HD       LYS  11   6.654   3.003   0.947
   75   1HE   LYS  11          1HE       LYS  11   6.201   5.160  -0.132
   76   2HE   LYS  11          2HE       LYS  11   4.692   4.281   0.133
   77   1HZ   LYS  11          1HZ       LYS  11   5.742   6.440   1.825
   78   2HZ   LYS  11          2HZ       LYS  11   4.520   6.580   0.726
   79   3HZ   LYS  11          3HZ       LYS  11   4.320   5.638   2.064
   80    H    LEU  12           H        LEU  12   3.912  -0.392   3.110
   81    HA   LEU  12           HA       LEU  12   6.569  -1.072   3.853
   82   1HB   LEU  12          1HB       LEU  12   3.941  -2.588   4.064
   83   2HB   LEU  12          2HB       LEU  12   5.440  -3.136   4.822
   84    HG   LEU  12           HG       LEU  12   4.206  -0.411   5.398
   85   1HD1  LEU  12          1HD1      LEU  12   2.609  -2.189   6.012
   86   2HD1  LEU  12          2HD1      LEU  12   3.879  -3.024   6.932
   87   3HD1  LEU  12          3HD1      LEU  12   3.298  -1.427   7.455
   88   1HD2  LEU  12          1HD2      LEU  12   6.281  -2.090   6.877
   89   2HD2  LEU  12          2HD2      LEU  12   6.588  -0.566   6.015
   90   3HD2  LEU  12          3HD2      LEU  12   5.581  -0.569   7.465
   91    H    SER  13           H        SER  13   4.261  -2.779   1.693
   92    HA   SER  13           HA       SER  13   5.938  -4.883   0.902
   93   1HB   SER  13          1HB       SER  13   3.517  -4.801   0.489
   94   2HB   SER  13          2HB       SER  13   3.740  -3.486  -0.684
   95    HG   SER  13           HG       SER  13   5.036  -4.933  -1.902
   96    H    GLN  14           H        GLN  14   5.491  -1.654  -0.595
   97    HA   GLN  14           HA       GLN  14   7.212  -1.951  -2.803
   98   1HB   GLN  14          1HB       GLN  14   5.610  -0.193  -2.661
   99   2HB   GLN  14          2HB       GLN  14   6.324   0.480  -1.197
  100   1HG   GLN  14          1HG       GLN  14   7.818   0.308  -3.847
  101   2HG   GLN  14          2HG       GLN  14   6.783   1.675  -3.418
  102   1HE2  GLN  14          2HE2      GLN  14   9.905   1.094  -3.686
  103   2HE2  GLN  14          1HE2      GLN  14  10.544   1.982  -2.320
  104    H    GLU  15           H        GLU  15   7.895  -0.658   0.495
  105    HA   GLU  15           HA       GLU  15  10.580   0.025  -0.043
  106   1HB   GLU  15          1HB       GLU  15   9.246   0.984   1.777
  107   2HB   GLU  15          2HB       GLU  15   9.175  -0.584   2.594
  108   1HG   GLU  15          1HG       GLU  15  10.854   0.910   3.603
  109   2HG   GLU  15          2HG       GLU  15  11.600  -0.551   2.959
  110    H    LEU  16           H        LEU  16   9.168  -2.876   1.535
  111    HA   LEU  16           HA       LEU  16  11.573  -4.252   2.094
  112   1HB   LEU  16          1HB       LEU  16   8.754  -5.210   1.490
  113   2HB   LEU  16          2HB       LEU  16  10.039  -6.294   2.030
  114    HG   LEU  16           HG       LEU  16   9.197  -3.853   3.653
  115   1HD1  LEU  16          1HD1      LEU  16   7.249  -5.348   3.344
  116   2HD1  LEU  16          2HD1      LEU  16   8.221  -6.730   3.892
  117   3HD1  LEU  16          3HD1      LEU  16   7.847  -5.401   5.011
  118   1HD2  LEU  16          1HD2      LEU  16  10.719  -6.397   4.374
  119   2HD2  LEU  16          2HD2      LEU  16  11.410  -4.765   4.255
  120   3HD2  LEU  16          3HD2      LEU  16  10.226  -5.129   5.513
  121    H    HIS  17           H        HIS  17   9.503  -4.258  -0.851
  122    HA   HIS  17           HA       HIS  17  11.067  -6.194  -2.260
  123   1HB   HIS  17          1HB       HIS  17   8.773  -5.685  -2.890
  124   2HB   HIS  17          2HB       HIS  17   9.217  -4.016  -3.285
  125    HD1  HIS  17           HD1      HIS  17  10.361  -7.548  -4.323
  126    HD2  HIS  17           HD2      HIS  17   9.861  -3.714  -5.941
  127    HE1  HIS  17           HE1      HIS  17  10.960  -7.682  -6.788
  128    H    LYS  18           H        LYS  18  11.245  -2.616  -2.003
  129    HA   LYS  18           HA       LYS  18  13.019  -2.232  -4.163
  130   1HB   LYS  18          1HB       LYS  18  11.642  -0.454  -3.221
  131   2HB   LYS  18          2HB       LYS  18  12.505  -0.540  -1.688
  132   1HG   LYS  18          1HG       LYS  18  13.237   1.374  -3.014
  133   2HG   LYS  18          2HG       LYS  18  14.559   0.256  -2.708
  134   1HD   LYS  18          1HD       LYS  18  14.627   1.132  -4.996
  135   2HD   LYS  18          2HD       LYS  18  14.435  -0.619  -4.988
  136   1HE   LYS  18          1HE       LYS  18  13.034   0.430  -6.701
  137   2HE   LYS  18          2HE       LYS  18  12.022  -0.379  -5.501
  138   1HZ   LYS  18          1HZ       LYS  18  12.613   2.495  -5.594
  139   2HZ   LYS  18          2HZ       LYS  18  11.203   1.782  -6.067
  140   3HZ   LYS  18          3HZ       LYS  18  11.652   1.750  -4.481
  141    H    LEU  19           H        LEU  19  13.694  -2.513  -0.616
  142    HA   LEU  19           HA       LEU  19  16.539  -2.343  -0.978
  143   1HB   LEU  19          1HB       LEU  19  16.727  -2.850   1.356
  144   2HB   LEU  19          2HB       LEU  19  15.473  -1.658   1.042
  145    HG   LEU  19           HG       LEU  19  13.862  -3.786   1.131
  146   1HD1  LEU  19          1HD1      LEU  19  15.690  -5.480   1.485
  147   2HD1  LEU  19          2HD1      LEU  19  16.171  -4.615   2.952
  148   3HD1  LEU  19          3HD1      LEU  19  14.581  -5.395   2.855
  149   1HD2  LEU  19          1HD2      LEU  19  15.062  -2.443   3.583
  150   2HD2  LEU  19          2HD2      LEU  19  13.728  -1.816   2.592
  151   3HD2  LEU  19          3HD2      LEU  19  13.508  -3.303   3.527
  152    H    GLN  20           H        GLN  20  14.248  -5.051  -1.017
  153    HA   GLN  20           HA       GLN  20  16.157  -7.174  -0.875
  154   1HB   GLN  20          1HB       GLN  20  13.897  -7.630  -0.436
  155   2HB   GLN  20          2HB       GLN  20  13.332  -6.927  -1.949
  156   1HG   GLN  20          1HG       GLN  20  15.142  -9.369  -1.896
  157   2HG   GLN  20          2HG       GLN  20  13.388  -9.493  -1.719
  158   1HE2  GLN  20          2HE2      GLN  20  15.699  -9.872  -4.006
  159   2HE2  GLN  20          1HE2      GLN  20  14.791  -9.404  -5.430
  160    H    THR  21           H        THR  21  14.632  -5.482  -3.657
  161    HA   THR  21           HA       THR  21  16.004  -6.835  -5.731
  162    HB   THR  21           HB       THR  21  14.794  -4.038  -5.579
  163    HG1  THR  21           HG1      THR  21  13.065  -5.105  -6.585
  164   1HG2  THR  21          1HG2      THR  21  15.579  -5.688  -8.020
  165   2HG2  THR  21          2HG2      THR  21  14.658  -4.164  -8.033
  166   3HG2  THR  21          3HG2      THR  21  16.344  -4.167  -7.512
  167    H    TYR  22           H        TYR  22  16.681  -3.738  -4.071
  168    HA   TYR  22           HA       TYR  22  18.434  -2.362  -3.971
  169   1HB   TYR  22          1HB       TYR  22  19.416  -4.278  -2.807
  170   2HB   TYR  22          2HB       TYR  22  20.102  -4.874  -4.311
  171    HD1  TYR  22           HD1      TYR  22  22.304  -4.187  -4.903
  172    HD2  TYR  22           HD2      TYR  22  20.027  -1.824  -2.102
  173    HE1  TYR  22           HE1      TYR  22  24.259  -2.710  -4.557
  174    HE2  TYR  22           HE2      TYR  22  21.988  -0.348  -1.759
  175    HH   TYR  22           HH       TYR  22  25.096  -0.863  -3.470
  176    HA   PRO  23           HA       PRO  23  18.788  -2.351  -8.618
  177   1HB   PRO  23          1HB       PRO  23  17.445  -0.053  -9.182
  178   2HB   PRO  23          2HB       PRO  23  16.594  -1.584  -8.814
  179   1HG   PRO  23          1HG       PRO  23  17.228   0.677  -6.894
  180   2HG   PRO  23          2HG       PRO  23  15.640  -0.093  -7.190
  181   1HD   PRO  23          1HD       PRO  23  17.246  -0.852  -5.129
  182   2HD   PRO  23          2HD       PRO  23  16.302  -2.065  -6.044
  183    H    ARG  24           H        ARG  24  19.827  -0.707 -10.021
  184    HA   ARG  24           HA       ARG  24  21.455   1.354  -8.629
  185   1HB   ARG  24          1HB       ARG  24  23.441   0.657  -9.868
  186   2HB   ARG  24          2HB       ARG  24  22.856  -0.635  -8.815
  187   1HG   ARG  24          1HG       ARG  24  21.793  -1.766 -10.751
  188   2HG   ARG  24          2HG       ARG  24  22.347  -0.465 -11.825
  189   1HD   ARG  24          1HD       ARG  24  24.694  -0.995 -11.258
  190   2HD   ARG  24          2HD       ARG  24  24.140  -2.292 -10.176
  191    HE   ARG  24           HE       ARG  24  22.999  -2.718 -12.732
  192   1HH1  ARG  24          1HH2      ARG  24  26.201  -2.799 -11.182
  193   2HH1  ARG  24          2HH2      ARG  24  26.831  -3.994 -12.291
  194   1HH2  ARG  24          1HH1      ARG  24  23.853  -4.277 -14.163
  195   2HH2  ARG  24          2HH1      ARG  24  25.501  -4.833 -13.981
  196    H    THR  25           H        THR  25  18.972   1.302 -10.379
  197    HA   THR  25           HA       THR  25  19.836   3.478 -12.166
  198    HB   THR  25           HB       THR  25  18.143   1.141 -13.169
  199    HG1  THR  25           HG1      THR  25  19.970   0.680 -14.428
  200   1HG2  THR  25          1HG2      THR  25  19.394   3.534 -14.608
  201   2HG2  THR  25          2HG2      THR  25  18.493   2.214 -15.378
  202   3HG2  THR  25          3HG2      THR  25  17.660   3.333 -14.292
  203    H    ASP  26           H        ASP  26  18.898   4.281 -10.053
  204    HA   ASP  26           HA       ASP  26  17.300   5.164  -8.770
  205   1HB   ASP  26          1HB       ASP  26  17.058   6.575 -10.744
  206   2HB   ASP  26          2HB       ASP  26  15.866   5.482 -11.443
  207    H    VAL  27           H        VAL  27  14.472   4.265 -10.545
  208    HA   VAL  27           HA       VAL  27  13.898   1.986  -8.715
  209    HB   VAL  27           HB       VAL  27  12.084   3.548 -10.600
  210   1HG1  VAL  27          1HG1      VAL  27  11.473   1.402  -8.510
  211   2HG1  VAL  27          2HG1      VAL  27  10.268   2.337  -9.417
  212   3HG1  VAL  27          3HG1      VAL  27  11.321   1.201 -10.266
  213   1HG2  VAL  27          1HG2      VAL  27  12.363   3.615  -7.563
  214   2HG2  VAL  27          2HG2      VAL  27  12.760   4.935  -8.678
  215   3HG2  VAL  27          3HG2      VAL  27  11.082   4.415  -8.496
  216    H    GLY  28           H        GLY  28  15.423   0.587  -9.714
  217   1HA   GLY  28          1HA       GLY  28  15.444   0.092 -12.571
  218   2HA   GLY  28          2HA       GLY  28  16.317  -0.789 -11.311
  219    H    ALA  29           H        ALA  29  15.622  -2.553 -12.905
  220    HA   ALA  29           HA       ALA  29  12.942  -3.460 -13.073
  221   1HB   ALA  29          1HB       ALA  29  14.706  -4.168 -14.619
  222   2HB   ALA  29          2HB       ALA  29  15.561  -4.999 -13.301
  223   3HB   ALA  29          3HB       ALA  29  13.965  -5.576 -13.832
  224    H    GLY  30           H        GLY  30  11.683  -4.551 -11.667
  225   1HA   GLY  30          1HA       GLY  30  12.511  -4.846  -8.914
  226   2HA   GLY  30          2HA       GLY  30  10.924  -5.164  -9.622
  227    H    THR  31           H        THR  31  14.231  -6.508  -9.488
  228    HA   THR  31           HA       THR  31  15.082  -8.578  -9.371
  229    HB   THR  31           HB       THR  31  12.427  -9.433  -8.168
  230    HG1  THR  31           HG1      THR  31  14.737  -8.266  -7.019
  231   1HG2  THR  31          1HG2      THR  31  15.280 -10.474  -7.833
  232   2HG2  THR  31          2HG2      THR  31  13.848 -11.041  -6.951
  233   3HG2  THR  31          3HG2      THR  31  13.978 -11.321  -8.694
  234    HA   PRO  32           HA       PRO  32  12.849  -9.685 -13.302
  235   1HB   PRO  32          1HB       PRO  32  14.950  -9.552 -15.048
  236   2HB   PRO  32          2HB       PRO  32  14.029  -8.123 -14.501
  237   1HG   PRO  32          1HG       PRO  32  16.667  -9.136 -13.421
  238   2HG   PRO  32          2HG       PRO  32  16.237  -7.467 -13.884
  239   1HD   PRO  32          1HD       PRO  32  16.145  -8.328 -11.303
  240   2HD   PRO  32          2HD       PRO  32  14.940  -7.166 -11.931
  241    H1   NAG  33           H1       NAG  33  -7.939   1.908   0.187
  242    H2   NAG  33           H2       NAG  33  -9.831   3.933  -1.077
  243    H3   NAG  33           H3       NAG  33  -9.026   1.171  -2.081
  244    H4   NAG  33           H4       NAG  33  -8.431   3.963  -3.133
  245    H5   NAG  33           H5       NAG  33  -6.629   1.873  -1.831
  246   1H6   NAG  33          1H6       NAG  33  -5.386   3.055  -3.563
  247   2H6   NAG  33          2H6       NAG  33  -4.874   3.606  -1.958
  248   1H8   NAG  33          1H8       NAG  33 -12.025   1.175   1.922
  249   2H8   NAG  33          2H8       NAG  33 -12.750   0.629   0.392
  250   3H8   NAG  33          3H8       NAG  33 -11.776  -0.494   1.366
  251    HN2  NAG  33           HN2      NAG  33 -11.447   2.815   0.024
  252    HO3  NAG  33           HO3      NAG  33 -10.287   1.903  -3.903
  253    HO6  NAG  33           HO6      NAG  33  -5.223   5.340  -3.420
  254    H1   NAG  34           H1       NAG  34  -7.374   3.938  -5.267
  255    H2   NAG  34           H2       NAG  34  -8.097   1.291  -6.630
  256    H3   NAG  34           H3       NAG  34  -7.053   3.885  -7.847
  257    H4   NAG  34           H4       NAG  34  -9.780   2.555  -8.043
  258    H5   NAG  34           H5       NAG  34  -8.912   5.093  -6.576
  259   1H6   NAG  34          1H6       NAG  34 -11.644   3.759  -6.828
  260   2H6   NAG  34          2H6       NAG  34 -11.169   5.321  -7.541
  261   1H8   NAG  34          1H8       NAG  34  -2.892   2.694  -6.076
  262   2H8   NAG  34          2H8       NAG  34  -3.666   1.314  -5.270
  263   3H8   NAG  34          3H8       NAG  34  -3.471   1.317  -7.038
  264    HN2  NAG  34           HN2      NAG  34  -5.911   0.788  -6.407
  265    HO3  NAG  34           HO3      NAG  34  -6.421   1.928  -8.921
  266    HO6  NAG  34           HO6      NAG  34 -12.268   5.555  -5.546
  267    H1   MAN  35           H1       MAN  35 -11.202   3.692  -9.633
  268    H2   MAN  35           H2       MAN  35 -10.672   5.912 -10.692
  269    H3   MAN  35           H3       MAN  35 -12.364   4.516 -11.657
  270    H4   MAN  35           H4       MAN  35 -10.316   3.193 -13.426
  271    H5   MAN  35           H5       MAN  35 -11.501   1.709 -11.055
  272   1H6   MAN  35          1H6       MAN  35  -9.585   0.201 -11.568
  273   2H6   MAN  35          2H6       MAN  35  -9.000   1.384 -12.759
  274    HO2  MAN  35           HO2      MAN  35  -8.805   4.325 -12.189
  275    HO4  MAN  35           HO4      MAN  35 -12.144   1.763 -13.678
  276    H1   MAN  36           H1       MAN  36  -9.087  -0.856 -13.719
  277    H2   MAN  36           H2       MAN  36  -8.911   1.317 -14.964
  278    H3   MAN  36           H3       MAN  36 -11.324   1.585 -15.327
  279    H4   MAN  36           H4       MAN  36 -11.019  -0.681 -17.320
  280    H5   MAN  36           H5       MAN  36 -12.590  -0.477 -14.696
  281   1H6   MAN  36          1H6       MAN  36 -13.673  -1.917 -16.350
  282   2H6   MAN  36          2H6       MAN  36 -12.986  -2.882 -15.021
  283    HO2  MAN  36           HO2      MAN  36  -9.206  -1.027 -16.587
  284    HO4  MAN  36           HO4      MAN  36 -13.263   0.919 -16.531
  285    H1   MAN  37           H1       MAN  37 -13.214   6.273 -12.761
  286    H2   MAN  37           H2       MAN  37 -12.925   6.262 -15.246
  287    H3   MAN  37           H3       MAN  37 -10.540   6.689 -15.341
  288    H4   MAN  37           H4       MAN  37 -11.204   9.492 -14.337
  289    H5   MAN  37           H5       MAN  37  -9.698   7.228 -12.955
  290   1H6   MAN  37          1H6       MAN  37  -8.882   9.474 -12.320
  291   2H6   MAN  37          2H6       MAN  37  -9.713   8.648 -10.985
  292    HO3  MAN  37           HO3      MAN  37 -11.863   7.406 -17.103
  293    HO4  MAN  37           HO4      MAN  37  -8.730   8.166 -14.926
  294    HO6  MAN  37           HO6      MAN  37 -10.369  10.830 -11.207
  295    H1   MAN  38           H1       MAN  38 -13.259  -4.569 -16.564
  296    H2   MAN  38           H2       MAN  38 -10.967  -5.386 -17.197
  297    H3   MAN  38           H3       MAN  38 -10.333  -3.661 -18.772
  298    H4   MAN  38           H4       MAN  38 -12.551  -4.721 -20.573
  299    H5   MAN  38           H5       MAN  38 -12.342  -2.081 -19.047
  300   1H6   MAN  38          1H6       MAN  38 -14.575  -3.199 -20.792
  301   2H6   MAN  38          2H6       MAN  38 -13.495  -1.848 -21.219
  302    HO2  MAN  38           HO2      MAN  38 -12.890  -6.619 -17.606
  303    HO3  MAN  38           HO3      MAN  38 -10.711  -6.176 -20.094
  304    HO4  MAN  38           HO4      MAN  38 -10.660  -3.863 -21.614
  305    HO6  MAN  38           HO6      MAN  38 -15.483  -1.140 -20.330
  306    H1   MAN  39           H1       MAN  39 -11.762   3.342 -16.580
  307    H2   MAN  39           H2       MAN  39 -11.086   3.604 -18.988
  308    H3   MAN  39           H3       MAN  39  -8.695   3.238 -18.784
  309    H4   MAN  39           H4       MAN  39  -8.626   5.829 -17.180
  310    H5   MAN  39           H5       MAN  39  -8.151   2.936 -16.323
  311   1H6   MAN  39          1H6       MAN  39  -6.713   4.504 -15.084
  312   2H6   MAN  39          2H6       MAN  39  -7.992   3.834 -14.051
  313    HO2  MAN  39           HO2      MAN  39 -12.052   5.302 -17.723
  314    HO3  MAN  39           HO3      MAN  39  -9.279   5.958 -19.479
  315    HO4  MAN  39           HO4      MAN  39  -6.602   3.923 -17.886
  316    HO6  MAN  39           HO6      MAN  39  -7.766   6.097 -13.797
  317    H1   MAN  40           H1       MAN  40 -15.066   7.001 -14.043
  318    H2   MAN  40           H2       MAN  40 -15.790   8.783 -15.632
  319    H3   MAN  40           H3       MAN  40 -14.419  10.622 -14.842
  320    H4   MAN  40           H4       MAN  40 -16.099  10.555 -12.300
  321    H5   MAN  40           H5       MAN  40 -13.164   9.831 -12.730
  322   1H6   MAN  40          1H6       MAN  40 -14.927   9.628 -10.247
  323   2H6   MAN  40          2H6       MAN  40 -13.662  10.853 -10.510
  324    HO2  MAN  40           HO2      MAN  40 -16.968   8.830 -13.019
  325    HO3  MAN  40           HO3      MAN  40 -16.496  11.105 -15.760
  326    HO4  MAN  40           HO4      MAN  40 -15.317  12.625 -13.004
  327    HO6  MAN  40           HO6      MAN  40 -12.157   9.154 -10.668
  328   1HN   NH2  41          1HN       NH2  41  15.815 -12.535 -12.628
  329   2HN   NH2  41          2HN       NH2  41  16.131 -10.852 -12.271
  Start of MODEL    5
    1   1H    CYS   1          1H        CYS   1  -4.226   8.854  -1.994
    2   2H    CYS   1          2H        CYS   1  -3.446   9.774  -0.869
    3   3H    CYS   1          3H        CYS   1  -2.684   8.476  -1.545
    4    HA   CYS   1           HA       CYS   1  -4.212   6.975  -0.577
    5   1HB   CYS   1          1HB       CYS   1  -2.133   7.537   0.614
    6   2HB   CYS   1          2HB       CYS   1  -2.959   8.865   1.439
    7    H    SER   2           H        SER   2  -6.002   6.560   0.761
    8    HA   SER   2           HA       SER   2  -7.619   8.811   1.804
    9   1HB   SER   2          1HB       SER   2  -8.716   6.626  -0.025
   10   2HB   SER   2          2HB       SER   2  -9.671   7.843   0.843
   11    HG   SER   2           HG       SER   2  -8.494   9.442  -0.324
   12    H    ASN   3           H        ASN   3  -7.264   5.260   1.449
   13    HA   ASN   3           HA       ASN   3  -8.948   4.553   3.604
   14   1HB   ASN   3          1HB       ASN   3  -6.647   3.005   2.350
   15   2HB   ASN   3          2HB       ASN   3  -7.956   2.316   3.325
   16   1HD2  ASN   3          1HD2      ASN   3  -7.295   1.450   0.770
   17    H    LEU   4           H        LEU   4  -5.422   5.003   3.445
   18    HA   LEU   4           HA       LEU   4  -3.737   4.872   4.926
   19   1HB   LEU   4          1HB       LEU   4  -5.850   5.486   7.036
   20   2HB   LEU   4          2HB       LEU   4  -4.113   5.504   7.306
   21    HG   LEU   4           HG       LEU   4  -5.379   7.270   5.177
   22   1HD1  LEU   4          1HD1      LEU   4  -4.947   7.913   8.121
   23   2HD1  LEU   4          2HD1      LEU   4  -5.405   9.076   6.858
   24   3HD1  LEU   4          3HD1      LEU   4  -6.514   7.763   7.294
   25   1HD2  LEU   4          1HD2      LEU   4  -2.875   6.955   5.154
   26   2HD2  LEU   4          2HD2      LEU   4  -3.356   8.616   5.532
   27   3HD2  LEU   4          3HD2      LEU   4  -2.819   7.529   6.828
   28    H    SER   5           H        SER   5  -4.491   2.604   3.944
   29    HA   SER   5           HA       SER   5  -3.894   0.640   6.004
   30   1HB   SER   5          1HB       SER   5  -6.335   0.786   6.279
   31   2HB   SER   5          2HB       SER   5  -6.576   0.555   4.538
   32    HG   SER   5           HG       SER   5  -6.789  -1.383   5.730
   33    H    THR   6           H        THR   6  -5.395   0.763   2.714
   34    HA   THR   6           HA       THR   6  -3.643  -1.165   1.521
   35    HB   THR   6           HB       THR   6  -4.447  -0.196  -0.609
   36    HG1  THR   6           HG1      THR   6  -4.559   1.966   0.046
   37   1HG2  THR   6          1HG2      THR   6  -5.853  -1.859   0.610
   38   2HG2  THR   6          2HG2      THR   6  -6.730  -0.523   1.390
   39   3HG2  THR   6          3HG2      THR   6  -6.803  -0.735  -0.368
   40    H    CYS   7           H        CYS   7  -3.424   2.303   2.161
   41    HA   CYS   7           HA       CYS   7  -1.312   2.957   0.384
   42   1HB   CYS   7          1HB       CYS   7  -1.906   4.299   3.039
   43   2HB   CYS   7          2HB       CYS   7  -1.156   5.002   1.603
   44    H    VAL   8           H        VAL   8  -1.300   2.249   3.925
   45    HA   VAL   8           HA       VAL   8   1.533   2.429   4.141
   46    HB   VAL   8           HB       VAL   8  -0.024   2.948   5.949
   47   1HG1  VAL   8          1HG1      VAL   8  -1.647   1.140   5.734
   48   2HG1  VAL   8          2HG1      VAL   8  -0.438  -0.049   6.281
   49   3HG1  VAL   8          3HG1      VAL   8  -0.992   1.233   7.370
   50   1HG2  VAL   8          1HG2      VAL   8   2.373   2.459   6.388
   51   2HG2  VAL   8          2HG2      VAL   8   1.330   2.027   7.754
   52   3HG2  VAL   8          3HG2      VAL   8   1.959   0.757   6.689
   53    H    LEU   9           H        LEU   9  -0.692  -0.373   3.840
   54    HA   LEU   9           HA       LEU   9   1.276  -2.425   4.065
   55   1HB   LEU   9          1HB       LEU   9  -1.374  -2.282   2.585
   56   2HB   LEU   9          2HB       LEU   9  -0.420  -3.760   2.719
   57    HG   LEU   9           HG       LEU   9  -1.427  -2.230   5.158
   58   1HD1  LEU   9          1HD1      LEU   9  -3.329  -3.016   3.764
   59   2HD1  LEU   9          2HD1      LEU   9  -2.640  -4.652   3.758
   60   3HD1  LEU   9          3HD1      LEU   9  -3.206  -3.927   5.278
   61   1HD2  LEU   9          1HD2      LEU   9  -0.331  -5.055   4.798
   62   2HD2  LEU   9          2HD2      LEU   9   0.459  -3.723   5.669
   63   3HD2  LEU   9          3HD2      LEU   9  -1.041  -4.411   6.292
   64    H    GLY  10           H        GLY  10   0.033  -0.590   1.242
   65   1HA   GLY  10          1HA       GLY  10   1.522  -1.861  -0.792
   66   2HA   GLY  10          2HA       GLY  10   0.910  -0.198  -0.813
   67    H    LYS  11           H        LYS  11   2.295   0.993   1.269
   68    HA   LYS  11           HA       LYS  11   4.737   1.635   0.019
   69   1HB   LYS  11          1HB       LYS  11   3.468   2.268   2.684
   70   2HB   LYS  11          2HB       LYS  11   5.133   2.760   2.404
   71   1HG   LYS  11          1HG       LYS  11   3.133   3.449   0.259
   72   2HG   LYS  11          2HG       LYS  11   3.048   4.323   1.791
   73   1HD   LYS  11          1HD       LYS  11   4.433   5.526   0.180
   74   2HD   LYS  11          2HD       LYS  11   5.346   5.059   1.622
   75   1HE   LYS  11          1HE       LYS  11   6.390   3.191   0.375
   76   2HE   LYS  11          2HE       LYS  11   5.438   3.618  -1.068
   77   1HZ   LYS  11          1HZ       LYS  11   7.405   5.323   0.276
   78   2HZ   LYS  11          2HZ       LYS  11   7.655   4.478  -1.118
   79   3HZ   LYS  11          3HZ       LYS  11   6.562   5.713  -1.086
   80    H    LEU  12           H        LEU  12   4.241  -0.153   3.150
   81    HA   LEU  12           HA       LEU  12   7.003  -0.632   3.479
   82   1HB   LEU  12          1HB       LEU  12   6.455  -2.110   5.254
   83   2HB   LEU  12          2HB       LEU  12   5.415  -0.692   5.276
   84    HG   LEU  12           HG       LEU  12   3.723  -2.297   3.979
   85   1HD1  LEU  12          1HD1      LEU  12   5.276  -4.284   3.871
   86   2HD1  LEU  12          2HD1      LEU  12   5.376  -4.264   5.638
   87   3HD1  LEU  12          3HD1      LEU  12   3.834  -4.611   4.833
   88   1HD2  LEU  12          1HD2      LEU  12   4.277  -2.449   6.970
   89   2HD2  LEU  12          2HD2      LEU  12   3.306  -1.211   6.150
   90   3HD2  LEU  12          3HD2      LEU  12   2.751  -2.891   6.177
   91    H    SER  13           H        SER  13   4.538  -2.519   1.720
   92    HA   SER  13           HA       SER  13   6.123  -4.821   1.201
   93   1HB   SER  13          1HB       SER  13   3.701  -4.772   0.903
   94   2HB   SER  13          2HB       SER  13   3.857  -3.586  -0.412
   95    HG   SER  13           HG       SER  13   4.971  -6.197  -0.365
   96    H    GLN  14           H        GLN  14   5.695  -1.734  -0.590
   97    HA   GLN  14           HA       GLN  14   7.322  -2.422  -2.821
   98   1HB   GLN  14          1HB       GLN  14   5.593  -0.630  -2.740
   99   2HB   GLN  14          2HB       GLN  14   6.664   0.331  -1.698
  100   1HG   GLN  14          1HG       GLN  14   8.375   0.318  -3.507
  101   2HG   GLN  14          2HG       GLN  14   7.287  -0.661  -4.511
  102   1HE2  GLN  14          2HE2      GLN  14   7.810   1.256  -5.982
  103   2HE2  GLN  14          1HE2      GLN  14   6.733   2.634  -5.889
  104    H    GLU  15           H        GLU  15   8.038  -0.860   0.322
  105    HA   GLU  15           HA       GLU  15  10.718  -0.082  -0.358
  106   1HB   GLU  15          1HB       GLU  15   9.186  -0.291   2.248
  107   2HB   GLU  15          2HB       GLU  15  10.860   0.284   2.154
  108   1HG   GLU  15          1HG       GLU  15  10.264   2.109   0.693
  109   2HG   GLU  15          2HG       GLU  15   8.609   1.528   0.513
  110    H    LEU  16           H        LEU  16   9.382  -2.880   1.538
  111    HA   LEU  16           HA       LEU  16  11.985  -3.957   2.054
  112   1HB   LEU  16          1HB       LEU  16  10.953  -5.860   2.952
  113   2HB   LEU  16          2HB       LEU  16  10.066  -4.421   3.436
  114    HG   LEU  16           HG       LEU  16   8.482  -5.055   1.413
  115   1HD1  LEU  16          1HD1      LEU  16   9.688  -7.771   2.132
  116   2HD1  LEU  16          2HD1      LEU  16   8.234  -7.508   1.150
  117   3HD1  LEU  16          3HD1      LEU  16   9.808  -6.999   0.543
  118   1HD2  LEU  16          1HD2      LEU  16   7.837  -5.000   3.810
  119   2HD2  LEU  16          2HD2      LEU  16   7.110  -6.385   2.982
  120   3HD2  LEU  16          3HD2      LEU  16   8.525  -6.619   4.028
  121    H    HIS  17           H        HIS  17   9.726  -4.269  -0.670
  122    HA   HIS  17           HA       HIS  17  11.102  -6.375  -2.041
  123   1HB   HIS  17          1HB       HIS  17   8.892  -5.812  -2.734
  124   2HB   HIS  17          2HB       HIS  17   9.309  -4.112  -2.966
  125    HD1  HIS  17           HD1      HIS  17  10.292  -3.379  -5.177
  126    HD2  HIS  17           HD2      HIS  17  10.052  -7.548  -4.807
  127    HE1  HIS  17           HE1      HIS  17  10.869  -4.374  -7.443
  128    H    LYS  18           H        LYS  18  11.348  -2.775  -2.224
  129    HA   LYS  18           HA       LYS  18  13.225  -2.572  -4.244
  130   1HB   LYS  18          1HB       LYS  18  12.017  -0.656  -3.300
  131   2HB   LYS  18          2HB       LYS  18  12.925  -0.813  -1.790
  132   1HG   LYS  18          1HG       LYS  18  15.058  -0.380  -3.058
  133   2HG   LYS  18          2HG       LYS  18  14.111  -0.216  -4.537
  134   1HD   LYS  18          1HD       LYS  18  14.771   1.947  -3.579
  135   2HD   LYS  18          2HD       LYS  18  13.020   1.774  -3.688
  136   1HE   LYS  18          1HE       LYS  18  13.798   2.848  -1.571
  137   2HE   LYS  18          2HE       LYS  18  12.838   1.394  -1.286
  138   1HZ   LYS  18          1HZ       LYS  18  15.772   1.552  -1.242
  139   2HZ   LYS  18          2HZ       LYS  18  14.788   1.484   0.080
  140   3HZ   LYS  18          3HZ       LYS  18  14.879   0.197  -0.946
  141    H    LEU  19           H        LEU  19  13.981  -2.570  -0.684
  142    HA   LEU  19           HA       LEU  19  16.774  -2.551  -1.131
  143   1HB   LEU  19          1HB       LEU  19  17.020  -2.895   1.240
  144   2HB   LEU  19          2HB       LEU  19  15.760  -1.727   0.864
  145    HG   LEU  19           HG       LEU  19  14.153  -3.847   1.120
  146   1HD1  LEU  19          1HD1      LEU  19  16.491  -4.546   2.958
  147   2HD1  LEU  19          2HD1      LEU  19  14.899  -5.329   2.945
  148   3HD1  LEU  19          3HD1      LEU  19  15.982  -5.512   1.563
  149   1HD2  LEU  19          1HD2      LEU  19  15.388  -2.319   3.446
  150   2HD2  LEU  19          2HD2      LEU  19  14.019  -1.786   2.446
  151   3HD2  LEU  19          3HD2      LEU  19  13.849  -3.202   3.498
  152    H    GLN  20           H        GLN  20  14.529  -5.281  -1.045
  153    HA   GLN  20           HA       GLN  20  16.590  -7.259  -0.608
  154   1HB   GLN  20          1HB       GLN  20  14.263  -7.512   0.097
  155   2HB   GLN  20          2HB       GLN  20  13.723  -7.601  -1.582
  156   1HG   GLN  20          1HG       GLN  20  15.769  -9.496  -0.318
  157   2HG   GLN  20          2HG       GLN  20  14.030  -9.796  -0.300
  158   1HE2  GLN  20          2HE2      GLN  20  12.888  -9.810  -2.464
  159   2HE2  GLN  20          1HE2      GLN  20  13.739 -10.558  -3.798
  160    H    THR  21           H        THR  21  14.492  -6.587  -3.490
  161    HA   THR  21           HA       THR  21  16.089  -8.212  -5.223
  162    HB   THR  21           HB       THR  21  14.675  -7.283  -7.015
  163    HG1  THR  21           HG1      THR  21  13.016  -5.833  -6.384
  164   1HG2  THR  21          1HG2      THR  21  13.875  -9.173  -5.590
  165   2HG2  THR  21          2HG2      THR  21  13.030  -7.996  -4.551
  166   3HG2  THR  21          3HG2      THR  21  12.565  -8.185  -6.253
  167    H    TYR  22           H        TYR  22  16.149  -4.774  -4.420
  168    HA   TYR  22           HA       TYR  22  17.480  -3.071  -4.941
  169   1HB   TYR  22          1HB       TYR  22  19.215  -4.619  -4.179
  170   2HB   TYR  22          2HB       TYR  22  19.500  -5.140  -5.835
  171    HD1  TYR  22           HD1      TYR  22  19.385  -2.054  -3.682
  172    HD2  TYR  22           HD2      TYR  22  21.108  -3.963  -7.146
  173    HE1  TYR  22           HE1      TYR  22  20.881  -0.108  -4.014
  174    HE2  TYR  22           HE2      TYR  22  22.601  -2.018  -7.473
  175    HH   TYR  22           HH       TYR  22  22.538   0.835  -5.302
  176    HA   PRO  23           HA       PRO  23  16.427  -3.012  -9.450
  177   1HB   PRO  23          1HB       PRO  23  14.210  -1.476  -9.426
  178   2HB   PRO  23          2HB       PRO  23  14.136  -3.169  -8.868
  179   1HG   PRO  23          1HG       PRO  23  14.432  -0.682  -7.158
  180   2HG   PRO  23          2HG       PRO  23  13.249  -2.013  -6.969
  181   1HD   PRO  23          1HD       PRO  23  15.650  -1.888  -5.613
  182   2HD   PRO  23          2HD       PRO  23  14.847  -3.430  -6.045
  183    H    ARG  24           H        ARG  24  15.873  -0.677 -10.616
  184    HA   ARG  24           HA       ARG  24  18.043   1.132 -10.029
  185   1HB   ARG  24          1HB       ARG  24  15.574   1.416 -11.789
  186   2HB   ARG  24          2HB       ARG  24  16.919   2.569 -11.723
  187   1HG   ARG  24          1HG       ARG  24  18.495   0.781 -12.417
  188   2HG   ARG  24          2HG       ARG  24  17.147  -0.365 -12.550
  189   1HD   ARG  24          1HD       ARG  24  17.425   2.227 -14.129
  190   2HD   ARG  24          2HD       ARG  24  17.806   0.603 -14.736
  191    HE   ARG  24           HE       ARG  24  15.169   0.506 -13.779
  192   1HH1  ARG  24          1HH2      ARG  24  16.960   2.152 -16.376
  193   2HH1  ARG  24          2HH2      ARG  24  15.564   2.258 -17.423
  194   1HH2  ARG  24          1HH1      ARG  24  13.367   0.665 -15.166
  195   2HH2  ARG  24          2HH1      ARG  24  13.527   1.415 -16.738
  196    H    THR  25           H        THR  25  14.467   1.536  -9.863
  197    HA   THR  25           HA       THR  25  14.643   2.881  -7.269
  198    HB   THR  25           HB       THR  25  13.446   4.267  -9.718
  199    HG1  THR  25           HG1      THR  25  15.688   4.881  -8.099
  200   1HG2  THR  25          1HG2      THR  25  13.587   5.122  -6.789
  201   2HG2  THR  25          2HG2      THR  25  13.087   6.165  -8.136
  202   3HG2  THR  25          3HG2      THR  25  12.109   4.755  -7.709
  203    H    ASP  26           H        ASP  26  12.800   2.517  -6.089
  204    HA   ASP  26           HA       ASP  26  10.280   1.749  -7.319
  205   1HB   ASP  26          1HB       ASP  26  11.460  -0.399  -7.431
  206   2HB   ASP  26          2HB       ASP  26  11.898  -0.282  -5.723
  207    H    VAL  27           H        VAL  27   9.998   3.817  -6.217
  208    HA   VAL  27           HA       VAL  27   9.289   3.480  -3.344
  209    HB   VAL  27           HB       VAL  27  10.678   5.908  -4.566
  210   1HG1  VAL  27          1HG1      VAL  27   9.100   6.473  -2.719
  211   2HG1  VAL  27          2HG1      VAL  27   9.902   5.277  -1.682
  212   3HG1  VAL  27          3HG1      VAL  27  10.780   6.717  -2.241
  213   1HG2  VAL  27          1HG2      VAL  27  11.743   3.785  -2.659
  214   2HG2  VAL  27          2HG2      VAL  27  12.329   4.118  -4.307
  215   3HG2  VAL  27          3HG2      VAL  27  12.562   5.316  -3.032
  216    H    GLY  28           H        GLY  28   7.288   4.215  -2.896
  217   1HA   GLY  28          1HA       GLY  28   5.468   5.203  -4.887
  218   2HA   GLY  28          2HA       GLY  28   5.219   5.146  -3.134
  219    H    ALA  29           H        ALA  29   5.927   7.141  -5.800
  220    HA   ALA  29           HA       ALA  29   6.330   9.303  -6.157
  221   1HB   ALA  29          1HB       ALA  29   4.637   9.728  -4.363
  222   2HB   ALA  29          2HB       ALA  29   5.962   9.865  -3.187
  223   3HB   ALA  29          3HB       ALA  29   5.850  11.005  -4.534
  224    H    GLY  30           H        GLY  30   7.894  11.222  -5.265
  225   1HA   GLY  30          1HA       GLY  30  10.560  10.212  -5.458
  226   2HA   GLY  30          2HA       GLY  30  10.077  11.869  -5.051
  227    H    THR  31           H        THR  31   9.071  12.091  -2.778
  228    HA   THR  31           HA       THR  31  10.820  11.025  -0.744
  229    HB   THR  31           HB       THR  31   8.222  12.592  -0.548
  230    HG1  THR  31           HG1      THR  31   9.908  13.668  -1.628
  231   1HG2  THR  31          1HG2      THR  31  10.409  12.068   1.518
  232   2HG2  THR  31          2HG2      THR  31   9.051  13.194   1.712
  233   3HG2  THR  31          3HG2      THR  31   8.741  11.456   1.589
  234    HA   PRO  32           HA       PRO  32   8.523   7.153  -0.359
  235   1HB   PRO  32          1HB       PRO  32   9.451   7.391   2.519
  236   2HB   PRO  32          2HB       PRO  32   9.416   5.943   1.472
  237   1HG   PRO  32          1HG       PRO  32  11.727   7.311   1.822
  238   2HG   PRO  32          2HG       PRO  32  11.260   6.764   0.185
  239   1HD   PRO  32          1HD       PRO  32  10.976   9.529   1.379
  240   2HD   PRO  32          2HD       PRO  32  11.527   9.028  -0.251
  241    H1   NAG  33           H1       NAG  33  -9.632   2.308  -0.899
  242    H2   NAG  33           H2       NAG  33  -6.978   1.017  -1.705
  243    H3   NAG  33           H3       NAG  33  -9.289   2.071  -3.368
  244    H4   NAG  33           H4       NAG  33  -8.201  -0.732  -2.900
  245    H5   NAG  33           H5       NAG  33 -10.811   0.574  -1.992
  246   1H6   NAG  33          1H6       NAG  33 -11.177  -1.786  -2.465
  247   2H6   NAG  33          2H6       NAG  33 -11.146  -1.518  -0.712
  248   1H8   NAG  33          1H8       NAG  33  -7.530   6.368  -2.273
  249   2H8   NAG  33          2H8       NAG  33  -6.343   5.556  -1.226
  250   3H8   NAG  33          3H8       NAG  33  -6.230   5.395  -2.993
  251    HN2  NAG  33           HN2      NAG  33  -6.150   3.091  -1.881
  252    HO3  NAG  33           HO3      NAG  33  -7.193   2.340  -4.329
  253    HO6  NAG  33           HO6      NAG  33  -9.901  -3.339  -1.367
  254    H1   NAG  34           H1       NAG  34  -9.103  -2.337  -4.354
  255    H2   NAG  34           H2       NAG  34 -10.421  -0.922  -6.733
  256    H3   NAG  34           H3       NAG  34  -9.532  -3.823  -6.432
  257    H4   NAG  34           H4       NAG  34  -8.461  -1.536  -8.139
  258    H5   NAG  34           H5       NAG  34  -7.327  -3.007  -5.716
  259   1H6   NAG  34          1H6       NAG  34  -5.514  -1.271  -5.865
  260   2H6   NAG  34          2H6       NAG  34  -6.090  -0.863  -7.495
  261   1H8   NAG  34          1H8       NAG  34 -13.862  -3.651  -5.219
  262   2H8   NAG  34          2H8       NAG  34 -13.302  -4.358  -3.688
  263   3H8   NAG  34          3H8       NAG  34 -13.591  -2.608  -3.803
  264    HN2  NAG  34           HN2      NAG  34 -12.359  -1.649  -5.841
  265    HO3  NAG  34           HO3      NAG  34 -10.181  -3.866  -8.661
  266    HO6  NAG  34           HO6      NAG  34  -5.204  -3.417  -6.591
  267    H1   MAN  35           H1       MAN  35  -6.900  -4.192 -10.080
  268    H2   MAN  35           H2       MAN  35  -9.319  -3.975 -10.523
  269    H3   MAN  35           H3       MAN  35  -7.680  -3.929 -12.314
  270    H4   MAN  35           H4       MAN  35  -7.663  -0.903 -11.959
  271    H5   MAN  35           H5       MAN  35  -5.456  -2.942 -11.375
  272   1H6   MAN  35          1H6       MAN  35  -4.342  -0.949 -10.324
  273   2H6   MAN  35          2H6       MAN  35  -5.625   0.074 -11.022
  274    HO2  MAN  35           HO2      MAN  35  -8.772  -1.165 -10.293
  275    HO4  MAN  35           HO4      MAN  35  -6.169  -2.657 -13.661
  276    H1   MAN  36           H1       MAN  36  -3.143   0.634 -11.538
  277    H2   MAN  36           H2       MAN  36  -5.200   1.683 -12.541
  278    H3   MAN  36           H3       MAN  36  -5.430   0.157 -14.427
  279    H4   MAN  36           H4       MAN  36  -2.943   1.507 -15.528
  280    H5   MAN  36           H5       MAN  36  -3.393  -1.367 -14.568
  281   1H6   MAN  36          1H6       MAN  36  -1.808  -1.270 -16.395
  282   2H6   MAN  36          2H6       MAN  36  -0.940  -1.570 -14.871
  283    HO2  MAN  36           HO2      MAN  36  -3.213   2.867 -12.346
  284    HO4  MAN  36           HO4      MAN  36  -3.244  -0.024 -17.210
  285    H1   MAN  37           H1       MAN  37  -9.665  -4.728 -13.285
  286    H2   MAN  37           H2       MAN  37  -7.594  -3.910 -14.525
  287    H3   MAN  37           H3       MAN  37  -8.460  -1.767 -15.270
  288    H4   MAN  37           H4       MAN  37 -10.377  -3.381 -17.001
  289    H5   MAN  37           H5       MAN  37 -10.880  -1.558 -14.594
  290   1H6   MAN  37          1H6       MAN  37 -13.211  -2.464 -14.765
  291   2H6   MAN  37          2H6       MAN  37 -12.790  -3.171 -16.342
  292    HO3  MAN  37           HO3      MAN  37  -7.849  -1.957 -17.487
  293    HO4  MAN  37           HO4      MAN  37  -9.586  -1.395 -17.912
  294    HO6  MAN  37           HO6      MAN  37 -12.656  -0.418 -15.634
  295    H1   MAN  38           H1       MAN  38   0.846  -0.882 -16.193
  296    H2   MAN  38           H2       MAN  38   1.685   1.309 -15.287
  297    H3   MAN  38           H3       MAN  38   0.016   2.804 -16.199
  298    H4   MAN  38           H4       MAN  38   1.123   2.112 -18.954
  299    H5   MAN  38           H5       MAN  38  -1.555   1.402 -17.666
  300   1H6   MAN  38          1H6       MAN  38  -0.411   0.650 -20.385
  301   2H6   MAN  38          2H6       MAN  38  -1.733   1.809 -20.096
  302    HO2  MAN  38           HO2      MAN  38   2.336   0.712 -18.014
  303    HO3  MAN  38           HO3      MAN  38   2.569   3.251 -17.423
  304    HO4  MAN  38           HO4      MAN  38  -1.079   3.730 -18.082
  305    HO6  MAN  38           HO6      MAN  38  -2.498  -0.290 -20.594
  306    H1   MAN  39           H1       MAN  39  -7.224   1.901 -14.063
  307    H2   MAN  39           H2       MAN  39  -6.992  -0.027 -15.717
  308    H3   MAN  39           H3       MAN  39  -6.182   1.236 -17.629
  309    H4   MAN  39           H4       MAN  39  -8.933   2.543 -17.686
  310    H5   MAN  39           H5       MAN  39  -6.198   3.740 -17.024
  311   1H6   MAN  39          1H6       MAN  39  -8.990   4.969 -16.998
  312   2H6   MAN  39          2H6       MAN  39  -7.693   5.343 -18.161
  313    HO2  MAN  39           HO2      MAN  39  -9.007   0.549 -14.767
  314    HO3  MAN  39           HO3      MAN  39  -8.811   0.193 -18.087
  315    HO4  MAN  39           HO4      MAN  39  -7.953   3.724 -19.401
  316    HO6  MAN  39           HO6      MAN  39  -7.790   6.842 -16.434
  317    H1   MAN  40           H1       MAN  40  -6.906  -5.314 -16.411
  318    H2   MAN  40           H2       MAN  40  -8.552  -6.629 -17.782
  319    H3   MAN  40           H3       MAN  40  -9.979  -7.466 -16.007
  320    H4   MAN  40           H4       MAN  40  -7.574  -9.096 -15.089
  321    H5   MAN  40           H5       MAN  40  -8.985  -6.730 -13.772
  322   1H6   MAN  40          1H6       MAN  40  -8.126  -8.340 -12.114
  323   2H6   MAN  40          2H6       MAN  40  -7.196  -6.826 -12.109
  324    HO2  MAN  40           HO2      MAN  40  -7.136  -8.464 -17.881
  325    HO3  MAN  40           HO3      MAN  40  -8.497  -9.591 -17.233
  326    HO4  MAN  40           HO4      MAN  40  -9.668 -10.053 -14.787
  327    HO6  MAN  40           HO6      MAN  40  -5.857  -8.689 -12.071
  328   1HN   NH2  41          1HN       NH2  41   8.197   9.334   2.536
  329   2HN   NH2  41          2HN       NH2  41   6.452   9.222   2.627
  Start of MODEL    6
    1   1H    CYS   1          1H        CYS   1  -5.048   5.605  -0.930
    2   2H    CYS   1          2H        CYS   1  -4.230   6.820  -1.686
    3   3H    CYS   1          3H        CYS   1  -3.404   5.559  -1.023
    4    HA   CYS   1           HA       CYS   1  -4.121   6.172   1.168
    5   1HB   CYS   1          1HB       CYS   1  -2.512   8.035  -0.545
    6   2HB   CYS   1          2HB       CYS   1  -2.992   8.590   1.055
    7    H    SER   2           H        SER   2  -6.324   6.270   1.454
    8    HA   SER   2           HA       SER   2  -7.380   8.963   1.802
    9   1HB   SER   2          1HB       SER   2  -9.460   8.548   0.527
   10   2HB   SER   2          2HB       SER   2  -8.045   8.512  -0.535
   11    HG   SER   2           HG       SER   2  -8.083   6.195  -0.265
   12    H    ASN   3           H        ASN   3  -6.472   7.069   3.548
   13    HA   ASN   3           HA       ASN   3  -8.279   6.768   5.582
   14   1HB   ASN   3          1HB       ASN   3  -8.807   4.324   5.525
   15   2HB   ASN   3          2HB       ASN   3  -9.712   5.260   4.354
   16   1HD2  ASN   3          1HD2      ASN   3  -9.525   4.751   2.193
   17    H    LEU   4           H        LEU   4  -5.587   5.423   3.747
   18    HA   LEU   4           HA       LEU   4  -3.516   4.809   4.267
   19   1HB   LEU   4          1HB       LEU   4  -3.969   5.714   7.137
   20   2HB   LEU   4          2HB       LEU   4  -2.441   5.469   6.300
   21    HG   LEU   4           HG       LEU   4  -4.507   7.633   5.692
   22   1HD1  LEU   4          1HD1      LEU   4  -3.214   7.968   7.767
   23   2HD1  LEU   4          2HD1      LEU   4  -1.698   7.774   6.860
   24   3HD1  LEU   4          3HD1      LEU   4  -2.770   9.151   6.523
   25   1HD2  LEU   4          1HD2      LEU   4  -1.822   7.042   4.372
   26   2HD2  LEU   4          2HD2      LEU   4  -3.423   7.008   3.593
   27   3HD2  LEU   4          3HD2      LEU   4  -2.752   8.541   4.157
   28    H    SER   5           H        SER   5  -4.585   2.738   3.775
   29    HA   SER   5           HA       SER   5  -3.958   0.799   5.915
   30   1HB   SER   5          1HB       SER   5  -6.598   0.744   4.384
   31   2HB   SER   5          2HB       SER   5  -5.999  -0.484   5.512
   32    HG   SER   5           HG       SER   5  -5.981   1.181   7.116
   33    H    THR   6           H        THR   6  -5.464   0.648   2.630
   34    HA   THR   6           HA       THR   6  -3.735  -1.456   1.768
   35    HB   THR   6           HB       THR   6  -6.001  -0.994   0.856
   36    HG1  THR   6           HG1      THR   6  -5.356  -1.495  -1.264
   37   1HG2  THR   6          1HG2      THR   6  -5.841   1.486   0.574
   38   2HG2  THR   6          2HG2      THR   6  -4.653   1.250  -0.727
   39   3HG2  THR   6          3HG2      THR   6  -6.296   0.648  -0.927
   40    H    CYS   7           H        CYS   7  -3.580   2.072   1.585
   41    HA   CYS   7           HA       CYS   7  -1.429   2.319  -0.261
   42   1HB   CYS   7          1HB       CYS   7  -3.098   4.056   0.438
   43   2HB   CYS   7          2HB       CYS   7  -2.261   4.185   1.986
   44    H    VAL   8           H        VAL   8  -1.596   2.121   3.318
   45    HA   VAL   8           HA       VAL   8   1.182   2.515   3.833
   46    HB   VAL   8           HB       VAL   8  -1.005   1.152   5.462
   47   1HG1  VAL   8          1HG2      VAL   8   1.788   2.068   6.280
   48   2HG1  VAL   8          2HG2      VAL   8   0.502   1.579   7.404
   49   3HG1  VAL   8          3HG2      VAL   8   1.182   0.397   6.282
   50   1HG2  VAL   8          1HG1      VAL   8  -1.424   3.555   4.972
   51   2HG2  VAL   8          2HG1      VAL   8  -1.058   3.291   6.683
   52   3HG2  VAL   8          3HG1      VAL   8   0.183   3.960   5.604
   53    H    LEU   9           H        LEU   9  -0.823  -0.478   3.603
   54    HA   LEU   9           HA       LEU   9   1.277  -2.356   3.875
   55   1HB   LEU   9          1HB       LEU   9  -1.368  -2.455   2.384
   56   2HB   LEU   9          2HB       LEU   9  -0.332  -3.868   2.604
   57    HG   LEU   9           HG       LEU   9  -1.405  -2.248   4.958
   58   1HD1  LEU   9          1HD1      LEU   9  -3.293  -3.141   3.644
   59   2HD1  LEU   9          2HD1      LEU   9  -2.558  -4.759   3.673
   60   3HD1  LEU   9          3HD1      LEU   9  -3.120  -4.005   5.181
   61   1HD2  LEU   9          1HD2      LEU   9  -0.232  -5.057   4.742
   62   2HD2  LEU   9          2HD2      LEU   9   0.541  -3.658   5.517
   63   3HD2  LEU   9          3HD2      LEU   9  -0.933  -4.342   6.207
   64    H    GLY  10           H        GLY  10   0.058  -0.619   1.001
   65   1HA   GLY  10          1HA       GLY  10   1.578  -1.929  -0.994
   66   2HA   GLY  10          2HA       GLY  10   0.948  -0.274  -1.053
   67    H    LYS  11           H        LYS  11   2.302   0.970   1.027
   68    HA   LYS  11           HA       LYS  11   4.813   1.533  -0.180
   69   1HB   LYS  11          1HB       LYS  11   3.363   3.153   1.128
   70   2HB   LYS  11          2HB       LYS  11   3.789   2.260   2.586
   71   1HG   LYS  11          1HG       LYS  11   5.277   3.943   2.750
   72   2HG   LYS  11          2HG       LYS  11   6.293   2.821   1.859
   73   1HD   LYS  11          1HD       LYS  11   4.735   5.204   0.733
   74   2HD   LYS  11          2HD       LYS  11   6.465   5.112   1.058
   75   1HE   LYS  11          1HE       LYS  11   6.457   4.792  -1.208
   76   2HE   LYS  11          2HE       LYS  11   6.467   3.117  -0.647
   77   1HZ   LYS  11          1HZ       LYS  11   4.036   3.174  -0.973
   78   2HZ   LYS  11          2HZ       LYS  11   4.159   4.705  -1.562
   79   3HZ   LYS  11          3HZ       LYS  11   4.876   3.453  -2.364
   80    H    LEU  12           H        LEU  12   3.933  -0.389   2.718
   81    HA   LEU  12           HA       LEU  12   6.613  -0.964   3.539
   82   1HB   LEU  12          1HB       LEU  12   3.991  -2.458   3.914
   83   2HB   LEU  12          2HB       LEU  12   5.498  -2.910   4.719
   84    HG   LEU  12           HG       LEU  12   4.218  -0.160   5.018
   85   1HD1  LEU  12          1HD1      LEU  12   2.673  -1.892   5.844
   86   2HD1  LEU  12          2HD1      LEU  12   3.975  -2.604   6.821
   87   3HD1  LEU  12          3HD1      LEU  12   3.369  -0.974   7.190
   88   1HD2  LEU  12          1HD2      LEU  12   6.359  -1.619   6.629
   89   2HD2  LEU  12          2HD2      LEU  12   6.607  -0.182   5.613
   90   3HD2  LEU  12          3HD2      LEU  12   5.622  -0.068   7.073
   91    H    SER  13           H        SER  13   4.309  -2.716   1.435
   92    HA   SER  13           HA       SER  13   5.933  -4.936   0.803
   93   1HB   SER  13          1HB       SER  13   3.524  -4.827   0.363
   94   2HB   SER  13          2HB       SER  13   3.786  -3.578  -0.872
   95    HG   SER  13           HG       SER  13   3.638  -5.681  -1.751
   96    H    GLN  14           H        GLN  14   5.730  -1.680  -0.678
   97    HA   GLN  14           HA       GLN  14   7.513  -2.210  -2.852
   98   1HB   GLN  14          1HB       GLN  14   5.833  -0.341  -2.687
   99   2HB   GLN  14          2HB       GLN  14   6.906   0.453  -1.517
  100   1HG   GLN  14          1HG       GLN  14   8.726   0.368  -3.296
  101   2HG   GLN  14          2HG       GLN  14   7.513  -0.244  -4.425
  102   1HE2  GLN  14          2HE2      GLN  14   9.060   2.225  -4.650
  103   2HE2  GLN  14          1HE2      GLN  14   7.910   3.545  -4.660
  104    H    GLU  15           H        GLU  15   7.960  -0.868   0.461
  105    HA   GLU  15           HA       GLU  15  10.656  -0.115   0.139
  106   1HB   GLU  15          1HB       GLU  15   9.174   0.764   1.887
  107   2HB   GLU  15          2HB       GLU  15   9.117  -0.822   2.669
  108   1HG   GLU  15          1HG       GLU  15  10.691   0.718   3.787
  109   2HG   GLU  15          2HG       GLU  15  11.514  -0.713   3.166
  110    H    LEU  16           H        LEU  16   9.276  -3.111   1.617
  111    HA   LEU  16           HA       LEU  16  11.811  -4.275   2.142
  112   1HB   LEU  16          1HB       LEU  16  10.676  -6.314   2.601
  113   2HB   LEU  16          2HB       LEU  16   9.824  -4.934   3.282
  114    HG   LEU  16           HG       LEU  16   8.356  -5.105   1.086
  115   1HD1  LEU  16          1HD1      LEU  16   9.357  -7.976   1.400
  116   2HD1  LEU  16          2HD1      LEU  16   8.003  -7.452   0.380
  117   3HD1  LEU  16          3HD1      LEU  16   9.646  -6.953  -0.017
  118   1HD2  LEU  16          1HD2      LEU  16   8.147  -7.042   3.427
  119   2HD2  LEU  16          2HD2      LEU  16   7.519  -5.381   3.378
  120   3HD2  LEU  16          3HD2      LEU  16   6.821  -6.622   2.325
  121    H    HIS  17           H        HIS  17   9.897  -4.105  -0.838
  122    HA   HIS  17           HA       HIS  17  11.431  -6.122  -2.222
  123   1HB   HIS  17          1HB       HIS  17   9.194  -5.601  -2.956
  124   2HB   HIS  17          2HB       HIS  17   9.634  -3.915  -3.264
  125    HD1  HIS  17           HD1      HIS  17  10.959  -7.361  -4.366
  126    HD2  HIS  17           HD2      HIS  17  10.327  -3.504  -5.881
  127    HE1  HIS  17           HE1      HIS  17  11.685  -7.374  -6.802
  128    H    LYS  18           H        LYS  18  11.622  -2.520  -1.972
  129    HA   LYS  18           HA       LYS  18  13.620  -2.129  -3.927
  130   1HB   LYS  18          1HB       LYS  18  12.864  -0.559  -1.442
  131   2HB   LYS  18          2HB       LYS  18  14.194  -0.075  -2.503
  132   1HG   LYS  18          1HG       LYS  18  12.606  -0.121  -4.453
  133   2HG   LYS  18          2HG       LYS  18  11.273  -0.306  -3.314
  134   1HD   LYS  18          1HD       LYS  18  13.298   1.978  -3.409
  135   2HD   LYS  18          2HD       LYS  18  11.647   2.049  -4.031
  136   1HE   LYS  18          1HE       LYS  18  12.376   1.649  -1.091
  137   2HE   LYS  18          2HE       LYS  18  11.913   3.179  -1.841
  138   1HZ   LYS  18          1HZ       LYS  18   9.812   2.252  -2.395
  139   2HZ   LYS  18          2HZ       LYS  18  10.216   0.800  -1.727
  140   3HZ   LYS  18          3HZ       LYS  18  10.077   2.136  -0.771
  141    H    LEU  19           H        LEU  19  14.022  -2.630  -0.360
  142    HA   LEU  19           HA       LEU  19  16.884  -2.622  -0.552
  143   1HB   LEU  19          1HB       LEU  19  16.897  -3.268   1.764
  144   2HB   LEU  19          2HB       LEU  19  15.759  -1.969   1.432
  145    HG   LEU  19           HG       LEU  19  13.993  -3.967   1.303
  146   1HD1  LEU  19          1HD1      LEU  19  15.658  -5.809   1.689
  147   2HD1  LEU  19          2HD1      LEU  19  16.100  -5.054   3.229
  148   3HD1  LEU  19          3HD1      LEU  19  14.467  -5.703   2.988
  149   1HD2  LEU  19          1HD2      LEU  19  15.121  -2.802   3.879
  150   2HD2  LEU  19          2HD2      LEU  19  13.878  -2.067   2.843
  151   3HD2  LEU  19          3HD2      LEU  19  13.529  -3.570   3.713
  152    H    GLN  20           H        GLN  20  14.478  -5.195  -0.936
  153    HA   GLN  20           HA       GLN  20  16.260  -7.408  -0.629
  154   1HB   GLN  20          1HB       GLN  20  13.882  -7.677  -0.432
  155   2HB   GLN  20          2HB       GLN  20  13.618  -7.093  -2.086
  156   1HG   GLN  20          1HG       GLN  20  14.796  -9.092  -2.973
  157   2HG   GLN  20          2HG       GLN  20  15.101  -9.636  -1.313
  158   1HE2  GLN  20          2HE2      GLN  20  12.372  -8.551  -3.436
  159   2HE2  GLN  20          1HE2      GLN  20  11.224  -9.737  -2.853
  160    H    THR  21           H        THR  21  15.072  -5.658  -3.563
  161    HA   THR  21           HA       THR  21  16.764  -7.257  -5.298
  162    HB   THR  21           HB       THR  21  14.461  -6.428  -5.865
  163    HG1  THR  21           HG1      THR  21  15.956  -7.219  -7.381
  164   1HG2  THR  21          1HG2      THR  21  14.833  -4.003  -5.151
  165   2HG2  THR  21          2HG2      THR  21  15.871  -3.825  -6.582
  166   3HG2  THR  21          3HG2      THR  21  14.157  -4.224  -6.774
  167    H    TYR  22           H        TYR  22  17.007  -4.146  -3.693
  168    HA   TYR  22           HA       TYR  22  18.444  -2.454  -3.697
  169   1HB   TYR  22          1HB       TYR  22  20.844  -3.005  -3.602
  170   2HB   TYR  22          2HB       TYR  22  19.779  -3.796  -2.462
  171    HD1  TYR  22           HD1      TYR  22  22.063  -4.353  -5.322
  172    HD2  TYR  22           HD2      TYR  22  19.454  -6.178  -2.419
  173    HE1  TYR  22           HE1      TYR  22  22.936  -6.579  -5.939
  174    HE2  TYR  22           HE2      TYR  22  20.324  -8.411  -3.043
  175    HH   TYR  22           HH       TYR  22  21.759  -9.595  -4.398
  176    HA   PRO  23           HA       PRO  23  18.783  -1.917  -8.248
  177   1HB   PRO  23          1HB       PRO  23  17.188   0.226  -8.600
  178   2HB   PRO  23          2HB       PRO  23  16.510  -1.374  -8.203
  179   1HG   PRO  23          1HG       PRO  23  17.088   0.884  -6.263
  180   2HG   PRO  23          2HG       PRO  23  15.563  -0.027  -6.458
  181   1HD   PRO  23          1HD       PRO  23  17.466  -0.661  -4.586
  182   2HD   PRO  23          2HD       PRO  23  16.449  -1.907  -5.367
  183    H    ARG  24           H        ARG  24  21.007  -1.537  -7.097
  184    HA   ARG  24           HA       ARG  24  21.792   1.261  -6.692
  185   1HB   ARG  24          1HB       ARG  24  23.300  -1.374  -6.558
  186   2HB   ARG  24          2HB       ARG  24  23.992   0.218  -6.171
  187   1HG   ARG  24          1HG       ARG  24  22.271   0.548  -4.421
  188   2HG   ARG  24          2HG       ARG  24  21.617  -1.064  -4.743
  189   1HD   ARG  24          1HD       ARG  24  24.453  -0.462  -3.782
  190   2HD   ARG  24          2HD       ARG  24  23.109  -0.986  -2.773
  191    HE   ARG  24           HE       ARG  24  23.151  -3.129  -3.639
  192   1HH1  ARG  24          1HH2      ARG  24  25.664  -1.168  -5.255
  193   2HH1  ARG  24          2HH2      ARG  24  26.521  -2.576  -5.831
  194   1HH2  ARG  24          1HH1      ARG  24  24.304  -4.915  -4.414
  195   2HH2  ARG  24          2HH1      ARG  24  25.750  -4.689  -5.369
  196    H    THR  25           H        THR  25  21.076   1.762  -8.939
  197    HA   THR  25           HA       THR  25  23.381   1.857 -10.712
  198    HB   THR  25           HB       THR  25  22.406  -0.298 -11.366
  199    HG1  THR  25           HG1      THR  25  23.245   1.114 -12.949
  200   1HG2  THR  25          1HG2      THR  25  20.045   0.055 -10.650
  201   2HG2  THR  25          2HG2      THR  25  19.829   1.223 -11.973
  202   3HG2  THR  25          3HG2      THR  25  20.169  -0.477 -12.334
  203    H    ASP  26           H        ASP  26  23.203   3.517 -12.245
  204    HA   ASP  26           HA       ASP  26  20.829   5.284 -12.189
  205   1HB   ASP  26          1HB       ASP  26  23.658   6.134 -11.421
  206   2HB   ASP  26          2HB       ASP  26  22.330   7.246 -11.763
  207    H    VAL  27           H        VAL  27  20.773   6.745 -13.917
  208    HA   VAL  27           HA       VAL  27  22.833   6.722 -15.981
  209    HB   VAL  27           HB       VAL  27  21.659   4.736 -16.595
  210   1HG1  VAL  27          1HG1      VAL  27  19.472   5.088 -15.486
  211   2HG1  VAL  27          2HG1      VAL  27  19.026   6.259 -16.744
  212   3HG1  VAL  27          3HG1      VAL  27  19.331   4.574 -17.170
  213   1HG2  VAL  27          1HG2      VAL  27  22.441   6.246 -18.383
  214   2HG2  VAL  27          2HG2      VAL  27  21.058   5.250 -18.871
  215   3HG2  VAL  27          3HG2      VAL  27  20.819   6.962 -18.488
  216    H    GLY  28           H        GLY  28  22.920   8.803 -14.966
  217   1HA   GLY  28          1HA       GLY  28  22.491  11.057 -14.889
  218   2HA   GLY  28          2HA       GLY  28  21.246  10.868 -16.139
  219    H    ALA  29           H        ALA  29  21.832   9.693 -12.782
  220    HA   ALA  29           HA       ALA  29  19.278  10.779 -11.812
  221   1HB   ALA  29          1HB       ALA  29  19.896   7.790 -11.856
  222   2HB   ALA  29          2HB       ALA  29  18.531   8.550 -11.010
  223   3HB   ALA  29          3HB       ALA  29  18.623   8.610 -12.780
  224    H    GLY  30           H        GLY  30  19.048  10.394  -9.461
  225   1HA   GLY  30          1HA       GLY  30  21.377  11.370  -8.142
  226   2HA   GLY  30          2HA       GLY  30  19.824  10.954  -7.410
  227    H    THR  31           H        THR  31  23.059   9.845  -8.130
  228    HA   THR  31           HA       THR  31  22.780   7.151  -7.261
  229    HB   THR  31           HB       THR  31  25.302   8.852  -7.350
  230    HG1  THR  31           HG1      THR  31  25.475   7.908  -9.403
  231   1HG2  THR  31          1HG2      THR  31  24.863   5.836  -7.388
  232   2HG2  THR  31          2HG2      THR  31  26.409   6.663  -7.664
  233   3HG2  THR  31          3HG2      THR  31  25.626   6.767  -6.080
  234    HA   PRO  32           HA       PRO  32  24.335   8.851  -2.974
  235   1HB   PRO  32          1HB       PRO  32  22.787  11.444  -2.992
  236   2HB   PRO  32          2HB       PRO  32  24.318  11.063  -2.150
  237   1HG   PRO  32          1HG       PRO  32  24.378  12.487  -4.445
  238   2HG   PRO  32          2HG       PRO  32  25.533  11.133  -4.231
  239   1HD   PRO  32          1HD       PRO  32  22.882  11.100  -5.698
  240   2HD   PRO  32          2HD       PRO  32  24.482  10.550  -6.269
  241    H1   NAG  33           H1       NAG  33  -7.482   2.845   1.246
  242    H2   NAG  33           H2       NAG  33 -10.469   2.199   1.309
  243    H3   NAG  33           H3       NAG  33  -8.108   0.599   0.266
  244    H4   NAG  33           H4       NAG  33 -10.430   1.935  -1.191
  245    H5   NAG  33           H5       NAG  33  -7.473   2.707  -1.131
  246   1H6   NAG  33          1H6       NAG  33  -9.865   4.028  -2.485
  247   2H6   NAG  33          2H6       NAG  33  -8.515   3.197  -3.302
  248   1H8   NAG  33          1H8       NAG  33 -10.537  -0.366   5.237
  249   2H8   NAG  33          2H8       NAG  33  -8.938  -0.703   4.540
  250   3H8   NAG  33          3H8       NAG  33  -9.249   0.853   5.347
  251    HN2  NAG  33           HN2      NAG  33  -8.214   1.191   2.965
  252    HO3  NAG  33           HO3      NAG  33  -9.848  -0.635   1.154
  253    HO6  NAG  33           HO6      NAG  33  -8.388   5.541  -1.721
  254    H1   NAG  34           H1       NAG  34  -9.449  -0.022  -4.051
  255    H2   NAG  34           H2       NAG  34 -11.371  -0.180  -1.685
  256    H3   NAG  34           H3       NAG  34 -11.589  -1.422  -4.454
  257    H4   NAG  34           H4       NAG  34 -13.093   0.770  -2.988
  258    H5   NAG  34           H5       NAG  34 -11.243   0.806  -5.416
  259   1H6   NAG  34          1H6       NAG  34 -11.532   3.325  -5.180
  260   2H6   NAG  34          2H6       NAG  34 -12.982   2.997  -4.205
  261   1H8   NAG  34          1H8       NAG  34  -9.524  -4.440  -1.766
  262   2H8   NAG  34          2H8       NAG  34  -8.233  -4.407  -2.987
  263   3H8   NAG  34          3H8       NAG  34  -8.076  -3.440  -1.504
  264    HN2  NAG  34           HN2      NAG  34 -10.207  -2.043  -1.156
  265    HO3  NAG  34           HO3      NAG  34 -12.437  -2.705  -2.712
  266    HO6  NAG  34           HO6      NAG  34 -13.825   1.893  -6.024
  267    H1   MAN  35           H1       MAN  35 -15.099  -0.833  -3.462
  268    H2   MAN  35           H2       MAN  35 -14.906   1.620  -2.947
  269    H3   MAN  35           H3       MAN  35 -16.783   0.250  -2.207
  270    H4   MAN  35           H4       MAN  35 -18.215   1.109  -4.730
  271    H5   MAN  35           H5       MAN  35 -17.228  -1.724  -4.151
  272   1H6   MAN  35          1H6       MAN  35 -17.785  -2.042  -6.546
  273   2H6   MAN  35          2H6       MAN  35 -18.182  -0.312  -6.670
  274    HO2  MAN  35           HO2      MAN  35 -16.134   3.017  -4.359
  275    HO4  MAN  35           HO4      MAN  35 -19.434   0.656  -2.809
  276    H1   MAN  36           H1       MAN  36 -19.998  -1.944  -7.531
  277    H2   MAN  36           H2       MAN  36 -20.056   0.557  -7.251
  278    H3   MAN  36           H3       MAN  36 -20.783   0.499  -4.908
  279    H4   MAN  36           H4       MAN  36 -23.478  -0.321  -6.036
  280    H5   MAN  36           H5       MAN  36 -21.525  -1.829  -4.220
  281   1H6   MAN  36          1H6       MAN  36 -23.861  -2.397  -3.793
  282   2H6   MAN  36          2H6       MAN  36 -23.022  -3.741  -4.606
  283    HO2  MAN  36           HO2      MAN  36 -21.436  -0.484  -8.802
  284    HO4  MAN  36           HO4      MAN  36 -22.556   0.171  -3.366
  285    H1   MAN  37           H1       MAN  37 -15.965   3.507  -2.402
  286    H2   MAN  37           H2       MAN  37 -15.717   1.430  -0.851
  287    H3   MAN  37           H3       MAN  37 -17.739   1.333   0.228
  288    H4   MAN  37           H4       MAN  37 -17.455   4.122   1.386
  289    H5   MAN  37           H5       MAN  37 -19.236   3.175  -0.909
  290   1H6   MAN  37          1H6       MAN  37 -19.668   5.615  -1.188
  291   2H6   MAN  37          2H6       MAN  37 -18.794   5.929   0.329
  292    HO3  MAN  37           HO3      MAN  37 -15.877   0.963   1.555
  293    HO4  MAN  37           HO4      MAN  37 -19.590   3.673   2.007
  294    HO6  MAN  37           HO6      MAN  37 -21.090   4.274   0.040
  295    H1   MAN  38           H1       MAN  38 -25.178  -4.411  -5.017
  296    H2   MAN  38           H2       MAN  38 -25.551  -4.271  -7.497
  297    H3   MAN  38           H3       MAN  38 -25.946  -1.890  -7.714
  298    H4   MAN  38           H4       MAN  38 -28.509  -2.352  -6.135
  299    H5   MAN  38           H5       MAN  38 -25.948  -0.875  -5.355
  300   1H6   MAN  38          1H6       MAN  38 -27.957   0.174  -4.395
  301   2H6   MAN  38          2H6       MAN  38 -26.985  -0.643  -3.154
  302    HO2  MAN  38           HO2      MAN  38 -26.930  -5.505  -6.096
  303    HO3  MAN  38           HO3      MAN  38 -27.911  -2.004  -8.938
  304    HO4  MAN  38           HO4      MAN  38 -28.565  -0.689  -7.747
  305    HO6  MAN  38           HO6      MAN  38 -29.225  -1.096  -2.963
  306    H1   MAN  39           H1       MAN  39 -20.063   2.694  -5.983
  307    H2   MAN  39           H2       MAN  39 -20.669   2.001  -3.596
  308    H3   MAN  39           H3       MAN  39 -22.976   2.751  -3.579
  309    H4   MAN  39           H4       MAN  39 -21.858   5.579  -3.765
  310    H5   MAN  39           H5       MAN  39 -23.466   3.960  -5.800
  311   1H6   MAN  39          1H6       MAN  39 -22.226   6.741  -5.975
  312   2H6   MAN  39          2H6       MAN  39 -23.967   6.382  -5.863
  313    HO2  MAN  39           HO2      MAN  39 -20.005   4.743  -4.061
  314    HO3  MAN  39           HO3      MAN  39 -21.318   4.281  -1.813
  315    HO4  MAN  39           HO4      MAN  39 -23.804   5.289  -2.531
  316    HO6  MAN  39           HO6      MAN  39 -23.268   6.700  -8.020
  317    H1   MAN  40           H1       MAN  40 -15.834   4.979   0.185
  318    H2   MAN  40           H2       MAN  40 -13.567   5.246  -0.809
  319    H3   MAN  40           H3       MAN  40 -12.357   3.560   0.454
  320    H4   MAN  40           H4       MAN  40 -12.852   5.331   2.887
  321    H5   MAN  40           H5       MAN  40 -13.940   2.564   2.167
  322   1H6   MAN  40          1H6       MAN  40 -15.412   2.969   4.175
  323   2H6   MAN  40          2H6       MAN  40 -14.354   4.329   4.616
  324    HO2  MAN  40           HO2      MAN  40 -13.071   7.027   0.601
  325    HO3  MAN  40           HO3      MAN  40 -10.574   4.862   1.020
  326    HO4  MAN  40           HO4      MAN  40 -11.767   3.616   3.953
  327    HO6  MAN  40           HO6      MAN  40 -13.777   2.355   5.646
  328   1HN   NH2  41          1HN       NH2  41  23.139   8.387  -1.040
  329   2HN   NH2  41          2HN       NH2  41  21.410   8.116  -1.060
  Start of MODEL    7
    1   1H    CYS   1          1H        CYS   1  -4.652   6.000  -0.837
    2   2H    CYS   1          2H        CYS   1  -3.772   7.297  -1.348
    3   3H    CYS   1          3H        CYS   1  -3.008   5.972  -0.737
    4    HA   CYS   1           HA       CYS   1  -3.995   6.322   1.398
    5   1HB   CYS   1          1HB       CYS   1  -2.197   8.332   0.116
    6   2HB   CYS   1          2HB       CYS   1  -2.899   8.779   1.665
    7    H    SER   2           H        SER   2  -4.835   8.040   2.828
    8    HA   SER   2           HA       SER   2  -6.663   9.295   3.493
    9   1HB   SER   2          1HB       SER   2  -7.131  10.249   1.209
   10   2HB   SER   2          2HB       SER   2  -8.071   8.775   0.845
   11    HG   SER   2           HG       SER   2  -9.354  10.452   1.673
   12    H    ASN   3           H        ASN   3  -6.851   6.334   1.544
   13    HA   ASN   3           HA       ASN   3  -8.754   4.875   3.081
   14   1HB   ASN   3          1HB       ASN   3  -7.916   4.240   0.835
   15   2HB   ASN   3          2HB       ASN   3  -6.302   3.971   1.501
   16   1HD2  ASN   3          1HD2      ASN   3  -9.356   2.586   0.858
   17    H    LEU   4           H        LEU   4  -5.166   5.073   3.196
   18    HA   LEU   4           HA       LEU   4  -3.620   4.661   4.766
   19   1HB   LEU   4          1HB       LEU   4  -5.773   5.457   6.763
   20   2HB   LEU   4          2HB       LEU   4  -4.024   5.489   7.009
   21    HG   LEU   4           HG       LEU   4  -5.596   7.232   5.068
   22   1HD1  LEU   4          1HD1      LEU   4  -5.897   7.817   7.441
   23   2HD1  LEU   4          2HD1      LEU   4  -4.133   7.906   7.647
   24   3HD1  LEU   4          3HD1      LEU   4  -4.967   9.055   6.578
   25   1HD2  LEU   4          1HD2      LEU   4  -2.609   7.160   5.672
   26   2HD2  LEU   4          2HD2      LEU   4  -3.392   6.811   4.113
   27   3HD2  LEU   4          3HD2      LEU   4  -3.436   8.449   4.770
   28    H    SER   5           H        SER   5  -4.487   2.384   3.856
   29    HA   SER   5           HA       SER   5  -3.797   0.613   6.014
   30   1HB   SER   5          1HB       SER   5  -6.237   0.700   6.439
   31   2HB   SER   5          2HB       SER   5  -6.559   0.235   4.760
   32    HG   SER   5           HG       SER   5  -5.379  -1.691   5.181
   33    H    THR   6           H        THR   6  -5.380   0.693   2.787
   34    HA   THR   6           HA       THR   6  -3.756  -1.396   1.624
   35    HB   THR   6           HB       THR   6  -4.735  -0.531  -0.495
   36    HG1  THR   6           HG1      THR   6  -6.294   1.119  -0.307
   37   1HG2  THR   6          1HG2      THR   6  -5.963  -2.200   0.878
   38   2HG2  THR   6          2HG2      THR   6  -6.779  -0.879   1.737
   39   3HG2  THR   6          3HG2      THR   6  -7.044  -1.106  -0.004
   40    H    CYS   7           H        CYS   7  -3.622   2.173   1.794
   41    HA   CYS   7           HA       CYS   7  -1.525   2.588  -0.060
   42   1HB   CYS   7          1HB       CYS   7  -3.064   4.310   0.763
   43   2HB   CYS   7          2HB       CYS   7  -2.338   4.223   2.370
   44    H    VAL   8           H        VAL   8  -1.435   2.395   3.548
   45    HA   VAL   8           HA       VAL   8   1.382   2.644   3.718
   46    HB   VAL   8           HB       VAL   8  -0.210   3.199   5.509
   47   1HG1  VAL   8          1HG2      VAL   8  -1.702   1.262   5.364
   48   2HG1  VAL   8          2HG2      VAL   8  -0.431   0.207   6.025
   49   3HG1  VAL   8          3HG2      VAL   8  -1.104   1.521   7.007
   50   1HG2  VAL   8          1HG1      VAL   8   2.208   2.887   5.975
   51   2HG2  VAL   8          2HG1      VAL   8   1.193   2.458   7.362
   52   3HG2  VAL   8          3HG1      VAL   8   1.907   1.180   6.363
   53    H    LEU   9           H        LEU   9  -0.742  -0.224   3.484
   54    HA   LEU   9           HA       LEU   9   1.231  -2.213   3.897
   55   1HB   LEU   9          1HB       LEU   9  -1.126  -2.705   3.982
   56   2HB   LEU   9          2HB       LEU   9  -1.354  -2.164   2.312
   57    HG   LEU   9           HG       LEU   9  -0.028  -4.045   1.475
   58   1HD1  LEU   9          1HD1      LEU   9   0.181  -4.868   4.412
   59   2HD1  LEU   9          2HD1      LEU   9   0.601  -5.904   3.032
   60   3HD1  LEU   9          3HD1      LEU   9   1.535  -4.438   3.345
   61   1HD2  LEU   9          1HD2      LEU   9  -2.479  -4.236   1.839
   62   2HD2  LEU   9          2HD2      LEU   9  -1.647  -5.797   1.982
   63   3HD2  LEU   9          3HD2      LEU   9  -2.179  -4.933   3.442
   64    H    GLY  10           H        GLY  10   0.067  -0.558   0.915
   65   1HA   GLY  10          1HA       GLY  10   1.730  -1.859  -0.971
   66   2HA   GLY  10          2HA       GLY  10   1.025  -0.239  -1.121
   67    H    LYS  11           H        LYS  11   2.273   1.063   1.049
   68    HA   LYS  11           HA       LYS  11   4.701   1.877  -0.131
   69   1HB   LYS  11          1HB       LYS  11   3.272   3.313   1.250
   70   2HB   LYS  11          2HB       LYS  11   3.645   2.333   2.679
   71   1HG   LYS  11          1HG       LYS  11   6.024   2.968   2.530
   72   2HG   LYS  11          2HG       LYS  11   5.718   3.816   1.010
   73   1HD   LYS  11          1HD       LYS  11   5.906   5.380   2.889
   74   2HD   LYS  11          2HD       LYS  11   4.314   5.460   2.125
   75   1HE   LYS  11          1HE       LYS  11   4.211   5.581   4.601
   76   2HE   LYS  11          2HE       LYS  11   3.304   4.208   3.963
   77   1HZ   LYS  11          1HZ       LYS  11   6.012   4.094   5.096
   78   2HZ   LYS  11          2HZ       LYS  11   4.626   3.624   5.857
   79   3HZ   LYS  11          3HZ       LYS  11   5.153   2.805   4.528
   80    H    LEU  12           H        LEU  12   4.171   0.008   2.943
   81    HA   LEU  12           HA       LEU  12   6.963  -0.382   3.352
   82   1HB   LEU  12          1HB       LEU  12   6.400  -1.762   5.193
   83   2HB   LEU  12          2HB       LEU  12   5.343  -0.358   5.133
   84    HG   LEU  12           HG       LEU  12   3.694  -2.055   3.888
   85   1HD1  LEU  12          1HD1      LEU  12   5.287  -4.018   3.922
   86   2HD1  LEU  12          2HD1      LEU  12   5.337  -3.904   5.687
   87   3HD1  LEU  12          3HD1      LEU  12   3.824  -4.319   4.862
   88   1HD2  LEU  12          1HD2      LEU  12   3.223  -0.859   5.992
   89   2HD2  LEU  12          2HD2      LEU  12   2.674  -2.540   6.081
   90   3HD2  LEU  12          3HD2      LEU  12   4.177  -2.053   6.894
   91    H    SER  13           H        SER  13   4.508  -2.344   1.646
   92    HA   SER  13           HA       SER  13   6.084  -4.679   1.286
   93   1HB   SER  13          1HB       SER  13   3.680  -4.631   0.857
   94   2HB   SER  13          2HB       SER  13   3.908  -3.481  -0.480
   95    HG   SER  13           HG       SER  13   3.755  -5.649  -1.183
   96    H    GLN  14           H        GLN  14   5.662  -1.759  -0.774
   97    HA   GLN  14           HA       GLN  14   7.469  -2.462  -2.823
   98   1HB   GLN  14          1HB       GLN  14   5.780  -0.691  -2.979
   99   2HB   GLN  14          2HB       GLN  14   6.660   0.287  -1.791
  100   1HG   GLN  14          1HG       GLN  14   8.608   0.402  -3.330
  101   2HG   GLN  14          2HG       GLN  14   7.740  -0.601  -4.505
  102   1HE2  GLN  14          2HE2      GLN  14   5.523   0.301  -5.202
  103   2HE2  GLN  14          1HE2      GLN  14   5.428   2.032  -5.446
  104    H    GLU  15           H        GLU  15   7.992  -0.712   0.280
  105    HA   GLU  15           HA       GLU  15  10.641   0.085  -0.258
  106   1HB   GLU  15          1HB       GLU  15   9.183   1.082   1.469
  107   2HB   GLU  15          2HB       GLU  15   9.265  -0.410   2.416
  108   1HG   GLU  15          1HG       GLU  15  10.792   1.276   3.307
  109   2HG   GLU  15          2HG       GLU  15  11.701  -0.112   2.711
  110    H    LEU  16           H        LEU  16   9.422  -2.737   1.646
  111    HA   LEU  16           HA       LEU  16  12.018  -3.821   2.165
  112   1HB   LEU  16          1HB       LEU  16   9.175  -4.805   2.358
  113   2HB   LEU  16          2HB       LEU  16  10.474  -5.983   2.442
  114    HG   LEU  16           HG       LEU  16   9.657  -5.187   4.645
  115   1HD1  LEU  16          1HD1      LEU  16  11.869  -6.251   4.360
  116   2HD1  LEU  16          2HD1      LEU  16  12.616  -4.654   4.150
  117   3HD1  LEU  16          3HD1      LEU  16  11.845  -5.078   5.686
  118   1HD2  LEU  16          1HD2      LEU  16   9.347  -2.778   4.157
  119   2HD2  LEU  16          2HD2      LEU  16  10.386  -3.053   5.559
  120   3HD2  LEU  16          3HD2      LEU  16  11.108  -2.579   4.015
  121    H    HIS  17           H        HIS  17   9.727  -4.288  -0.541
  122    HA   HIS  17           HA       HIS  17  11.124  -6.449  -1.784
  123   1HB   HIS  17          1HB       HIS  17   8.832  -5.890  -2.352
  124   2HB   HIS  17          2HB       HIS  17   9.314  -4.285  -2.915
  125    HD1  HIS  17           HD1      HIS  17  10.296  -4.065  -5.270
  126    HD2  HIS  17           HD2      HIS  17   9.630  -8.040  -4.116
  127    HE1  HIS  17           HE1      HIS  17  10.610  -5.517  -7.334
  128    H    LYS  18           H        LYS  18  11.381  -2.888  -2.092
  129    HA   LYS  18           HA       LYS  18  13.274  -2.804  -4.197
  130   1HB   LYS  18          1HB       LYS  18  11.846  -0.947  -3.472
  131   2HB   LYS  18          2HB       LYS  18  12.741  -0.821  -1.947
  132   1HG   LYS  18          1HG       LYS  18  14.829  -0.359  -3.309
  133   2HG   LYS  18          2HG       LYS  18  13.807  -0.313  -4.755
  134   1HD   LYS  18          1HD       LYS  18  13.579   1.491  -2.296
  135   2HD   LYS  18          2HD       LYS  18  14.284   1.935  -3.859
  136   1HE   LYS  18          1HE       LYS  18  12.050   1.539  -4.939
  137   2HE   LYS  18          2HE       LYS  18  11.357   1.250  -3.328
  138   1HZ   LYS  18          1HZ       LYS  18  12.016   3.437  -2.704
  139   2HZ   LYS  18          2HZ       LYS  18  12.652   3.722  -4.199
  140   3HZ   LYS  18          3HZ       LYS  18  11.030   3.477  -4.026
  141    H    LEU  19           H        LEU  19  13.674  -2.706  -0.620
  142    HA   LEU  19           HA       LEU  19  16.548  -2.620  -0.674
  143   1HB   LEU  19          1HB       LEU  19  14.510  -3.323   1.476
  144   2HB   LEU  19          2HB       LEU  19  16.242  -3.203   1.791
  145    HG   LEU  19           HG       LEU  19  14.586  -0.917   0.661
  146   1HD1  LEU  19          1HD1      LEU  19  13.735  -1.581   2.881
  147   2HD1  LEU  19          2HD1      LEU  19  15.380  -1.495   3.547
  148   3HD1  LEU  19          3HD1      LEU  19  14.574  -0.022   2.965
  149   1HD2  LEU  19          1HD2      LEU  19  17.344  -1.002   1.970
  150   2HD2  LEU  19          2HD2      LEU  19  17.013  -0.659   0.258
  151   3HD2  LEU  19          3HD2      LEU  19  16.472   0.471   1.503
  152    H    GLN  20           H        GLN  20  14.619  -5.207   0.811
  153    HA   GLN  20           HA       GLN  20  14.736  -7.396   0.904
  154   1HB   GLN  20          1HB       GLN  20  14.103  -7.051  -1.448
  155   2HB   GLN  20          2HB       GLN  20  15.768  -7.303  -1.966
  156   1HG   GLN  20          1HG       GLN  20  14.136  -9.331  -0.351
  157   2HG   GLN  20          2HG       GLN  20  14.151  -9.267  -2.113
  158   1HE2  GLN  20          2HE2      GLN  20  15.930 -10.302   0.714
  159   2HE2  GLN  20          1HE2      GLN  20  17.254 -11.052  -0.152
  160    H    THR  21           H        THR  21  17.676  -7.071  -1.127
  161    HA   THR  21           HA       THR  21  19.270  -8.555   0.861
  162    HB   THR  21           HB       THR  21  20.012  -7.434  -1.873
  163    HG1  THR  21           HG1      THR  21  19.778  -9.612  -2.477
  164   1HG2  THR  21          1HG2      THR  21  21.415  -9.456  -0.060
  165   2HG2  THR  21          2HG2      THR  21  21.919  -9.006  -1.701
  166   3HG2  THR  21          3HG2      THR  21  21.992  -7.811  -0.397
  167    H    TYR  22           H        TYR  22  19.245  -5.393  -0.823
  168    HA   TYR  22           HA       TYR  22  20.350  -3.472  -0.530
  169   1HB   TYR  22          1HB       TYR  22  19.875  -2.284   1.468
  170   2HB   TYR  22          2HB       TYR  22  18.486  -3.151   0.847
  171    HD1  TYR  22           HD1      TYR  22  20.575  -2.568   3.747
  172    HD2  TYR  22           HD2      TYR  22  17.632  -5.205   2.033
  173    HE1  TYR  22           HE1      TYR  22  20.098  -3.494   5.989
  174    HE2  TYR  22           HE2      TYR  22  17.165  -6.144   4.275
  175    HH   TYR  22           HH       TYR  22  18.885  -5.018   7.213
  176    HA   PRO  23           HA       PRO  23  24.376  -5.173   1.083
  177   1HB   PRO  23          1HB       PRO  23  25.876  -4.665  -1.151
  178   2HB   PRO  23          2HB       PRO  23  24.936  -6.163  -0.903
  179   1HG   PRO  23          1HG       PRO  23  24.135  -3.731  -2.504
  180   2HG   PRO  23          2HG       PRO  23  24.002  -5.448  -2.965
  181   1HD   PRO  23          1HD       PRO  23  21.904  -4.029  -1.964
  182   2HD   PRO  23          2HD       PRO  23  22.109  -5.763  -1.594
  183    H    ARG  24           H        ARG  24  23.722  -2.337  -1.042
  184    HA   ARG  24           HA       ARG  24  25.452  -0.495   0.316
  185   1HB   ARG  24          1HB       ARG  24  24.729   0.042  -1.899
  186   2HB   ARG  24          2HB       ARG  24  23.031  -0.243  -1.496
  187   1HG   ARG  24          1HG       ARG  24  23.434   2.125  -1.738
  188   2HG   ARG  24          2HG       ARG  24  22.967   1.759  -0.082
  189   1HD   ARG  24          1HD       ARG  24  25.455   1.807   0.517
  190   2HD   ARG  24          2HD       ARG  24  25.768   2.395  -1.115
  191    HE   ARG  24           HE       ARG  24  24.620   3.800   1.176
  192   1HH1  ARG  24          1HH2      ARG  24  24.870   3.857  -2.379
  193   2HH1  ARG  24          2HH2      ARG  24  24.490   5.559  -2.481
  194   1HH2  ARG  24          1HH1      ARG  24  24.113   6.008   0.996
  195   2HH2  ARG  24          2HH1      ARG  24  24.058   6.776  -0.575
  196    H    THR  25           H        THR  25  25.121   0.554   2.201
  197    HA   THR  25           HA       THR  25  22.440   1.150   3.152
  198    HB   THR  25           HB       THR  25  22.774  -1.018   4.195
  199    HG1  THR  25           HG1      THR  25  23.147   1.091   6.044
  200   1HG2  THR  25          1HG2      THR  25  25.262  -1.119   4.233
  201   2HG2  THR  25          2HG2      THR  25  25.281   0.107   5.521
  202   3HG2  THR  25          3HG2      THR  25  24.535  -1.472   5.807
  203    H    ASP  26           H        ASP  26  22.393   3.086   4.081
  204    HA   ASP  26           HA       ASP  26  22.927   5.075   4.888
  205   1HB   ASP  26          1HB       ASP  26  25.568   3.887   5.840
  206   2HB   ASP  26          2HB       ASP  26  24.812   5.388   6.368
  207    H    VAL  27           H        VAL  27  26.232   4.148   3.883
  208    HA   VAL  27           HA       VAL  27  26.245   6.305   1.824
  209    HB   VAL  27           HB       VAL  27  28.503   6.907   2.538
  210   1HG1  VAL  27          1HG1      VAL  27  26.524   8.177   3.334
  211   2HG1  VAL  27          2HG1      VAL  27  26.484   7.178   4.804
  212   3HG1  VAL  27          3HG1      VAL  27  27.877   8.225   4.478
  213   1HG2  VAL  27          1HG2      VAL  27  28.016   5.111   4.960
  214   2HG2  VAL  27          2HG2      VAL  27  29.243   4.866   3.697
  215   3HG2  VAL  27          3HG2      VAL  27  29.347   6.264   4.769
  216    H    GLY  28           H        GLY  28  27.493   3.192   2.993
  217   1HA   GLY  28          1HA       GLY  28  27.913   2.206   0.315
  218   2HA   GLY  28          2HA       GLY  28  29.442   2.575   1.140
  219    H    ALA  29           H        ALA  29  30.250   0.963   2.369
  220    HA   ALA  29           HA       ALA  29  30.494  -0.964   3.519
  221   1HB   ALA  29          1HB       ALA  29  29.570   0.497   5.241
  222   2HB   ALA  29          2HB       ALA  29  27.917   0.011   4.821
  223   3HB   ALA  29          3HB       ALA  29  29.049  -1.180   5.496
  224    H    GLY  30           H        GLY  30  30.232  -2.288   1.619
  225   1HA   GLY  30          1HA       GLY  30  27.791  -3.371   0.677
  226   2HA   GLY  30          2HA       GLY  30  29.415  -4.006   0.397
  227    H    THR  31           H        THR  31  26.647  -4.061   2.580
  228    HA   THR  31           HA       THR  31  27.289  -6.765   3.538
  229    HB   THR  31           HB       THR  31  26.894  -4.366   5.385
  230    HG1  THR  31           HG1      THR  31  29.128  -6.036   4.889
  231   1HG2  THR  31          1HG2      THR  31  27.357  -7.317   6.018
  232   2HG2  THR  31          2HG2      THR  31  27.333  -5.994   7.200
  233   3HG2  THR  31          3HG2      THR  31  25.856  -6.412   6.320
  234    HA   PRO  32           HA       PRO  32  22.896  -6.432   2.670
  235   1HB   PRO  32          1HB       PRO  32  22.080  -9.004   3.041
  236   2HB   PRO  32          2HB       PRO  32  23.165  -8.527   1.703
  237   1HG   PRO  32          1HG       PRO  32  23.975  -9.659   4.396
  238   2HG   PRO  32          2HG       PRO  32  24.460 -10.246   2.777
  239   1HD   PRO  32          1HD       PRO  32  26.026  -8.550   4.213
  240   2HD   PRO  32          2HD       PRO  32  25.883  -8.374   2.436
  241    H1   NAG  33           H1       NAG  33  -8.637   0.106   2.387
  242    H2   NAG  33           H2       NAG  33 -11.392   1.252   1.760
  243    H3   NAG  33           H3       NAG  33 -10.562  -1.181   3.367
  244    H4   NAG  33           H4       NAG  33 -11.942  -1.033   0.654
  245    H5   NAG  33           H5       NAG  33  -9.082  -1.904   1.255
  246   1H6   NAG  33          1H6       NAG  33 -10.079  -3.135  -0.635
  247   2H6   NAG  33          2H6       NAG  33  -8.848  -1.988  -1.193
  248   1H8   NAG  33          1H8       NAG  33 -11.523   2.883   5.921
  249   2H8   NAG  33          2H8       NAG  33  -9.754   2.823   5.762
  250   3H8   NAG  33          3H8       NAG  33 -10.635   4.302   5.322
  251    HN2  NAG  33           HN2      NAG  33 -10.336   0.824   4.508
  252    HO3  NAG  33           HO3      NAG  33 -13.119  -0.209   2.508
  253    HO6  NAG  33           HO6      NAG  33 -10.756  -1.912  -2.453
  254    H1   NAG  34           H1       NAG  34 -11.823  -3.063   3.544
  255    H2   NAG  34           H2       NAG  34 -11.104  -5.484   1.823
  256    H3   NAG  34           H3       NAG  34 -11.896  -5.236   4.755
  257    H4   NAG  34           H4       NAG  34  -9.229  -5.954   3.475
  258    H5   NAG  34           H5       NAG  34 -10.147  -3.470   5.003
  259   1H6   NAG  34          1H6       NAG  34  -7.403  -4.246   3.948
  260   2H6   NAG  34          2H6       NAG  34  -7.860  -3.695   5.588
  261   1H8   NAG  34          1H8       NAG  34 -15.485  -6.220   1.690
  262   2H8   NAG  34          2H8       NAG  34 -15.604  -4.463   1.446
  263   3H8   NAG  34          3H8       NAG  34 -15.454  -5.547   0.046
  264    HN2  NAG  34           HN2      NAG  34 -13.722  -5.152   3.186
  265    HO3  NAG  34           HO3      NAG  34 -11.324  -7.499   4.718
  266    HO6  NAG  34           HO6      NAG  34  -6.927  -2.019   4.411
  267    H1   MAN  35           H1       MAN  35  -7.548  -5.724   5.961
  268    H2   MAN  35           H2       MAN  35  -8.543  -6.720   7.966
  269    H3   MAN  35           H3       MAN  35  -6.197  -7.117   7.604
  270    H4   MAN  35           H4       MAN  35  -6.987  -9.581   5.997
  271    H5   MAN  35           H5       MAN  35  -5.811  -6.898   5.128
  272   1H6   MAN  35          1H6       MAN  35  -6.534  -9.343   3.465
  273   2H6   MAN  35          2H6       MAN  35  -4.885  -8.735   3.790
  274    HO2  MAN  35           HO2      MAN  35  -9.207  -8.949   7.845
  275    HO4  MAN  35           HO4      MAN  35  -4.465  -8.335   6.562
  276    H1   MAN  36           H1       MAN  36  -5.249  -9.083   1.508
  277    H2   MAN  36           H2       MAN  36  -3.701  -7.089   1.581
  278    H3   MAN  36           H3       MAN  36  -5.309  -5.321   1.374
  279    H4   MAN  36           H4       MAN  36  -5.965  -6.318  -1.424
  280    H5   MAN  36           H5       MAN  36  -7.566  -6.350   1.171
  281   1H6   MAN  36          1H6       MAN  36  -8.254  -7.107  -1.676
  282   2H6   MAN  36          2H6       MAN  36  -9.156  -6.054  -0.571
  283    HO2  MAN  36           HO2      MAN  36  -3.606  -8.737  -0.037
  284    HO4  MAN  36           HO4      MAN  36  -7.021  -4.213   0.222
  285    H1   MAN  37           H1       MAN  37  -5.376  -7.932   9.564
  286    H2   MAN  37           H2       MAN  37  -5.698 -10.304  10.297
  287    H3   MAN  37           H3       MAN  37  -8.123 -10.397  10.293
  288    H4   MAN  37           H4       MAN  37  -8.003  -8.435  12.622
  289    H5   MAN  37           H5       MAN  37  -9.025  -8.064   9.768
  290   1H6   MAN  37          1H6       MAN  37 -10.309  -6.742  11.408
  291   2H6   MAN  37          2H6       MAN  37  -9.294  -5.709  10.380
  292    HO3  MAN  37           HO3      MAN  37  -7.110 -10.597  12.965
  293    HO4  MAN  37           HO4      MAN  37  -9.727  -9.989  12.653
  294    HO6  MAN  37           HO6      MAN  37  -9.162  -5.150  12.600
  295    H1   MAN  38           H1       MAN  38  -9.448  -7.064   1.566
  296    H2   MAN  38           H2       MAN  38  -8.269  -9.289   1.856
  297    H3   MAN  38           H3       MAN  38  -9.622 -10.651   0.383
  298    H4   MAN  38           H4       MAN  38 -11.885 -10.171   2.367
  299    H5   MAN  38           H5       MAN  38 -11.530  -9.214  -0.518
  300   1H6   MAN  38          1H6       MAN  38 -13.893  -9.693   0.047
  301   2H6   MAN  38          2H6       MAN  38 -13.591  -7.959  -0.153
  302    HO2  MAN  38           HO2      MAN  38  -9.399  -8.117   3.570
  303    HO3  MAN  38           HO3      MAN  38  -9.972 -11.394   3.130
  304    HO4  MAN  38           HO4      MAN  38 -13.058 -11.392   0.814
  305    HO6  MAN  38           HO6      MAN  38 -13.438  -7.823   2.141
  306    H1   MAN  39           H1       MAN  39  -3.668  -6.145  -1.846
  307    H2   MAN  39           H2       MAN  39  -1.517  -5.201  -0.976
  308    H3   MAN  39           H3       MAN  39  -2.266  -2.954  -0.403
  309    H4   MAN  39           H4       MAN  39  -2.682  -2.597  -3.402
  310    H5   MAN  39           H5       MAN  39  -4.662  -2.721  -1.075
  311   1H6   MAN  39          1H6       MAN  39  -5.409  -1.132  -2.820
  312   2H6   MAN  39          2H6       MAN  39  -6.409  -2.598  -2.785
  313    HO2  MAN  39           HO2      MAN  39  -1.813  -5.939  -3.153
  314    HO3  MAN  39           HO3      MAN  39  -0.434  -2.944  -2.607
  315    HO4  MAN  39           HO4      MAN  39  -1.936  -0.731  -2.214
  316    HO6  MAN  39           HO6      MAN  39  -5.152  -3.378  -4.542
  317    H1   MAN  40           H1       MAN  40  -3.682  -9.249  11.047
  318    H2   MAN  40           H2       MAN  40  -4.648 -11.460  11.853
  319    H3   MAN  40           H3       MAN  40  -5.552 -10.732  13.984
  320    H4   MAN  40           H4       MAN  40  -2.678 -10.229  14.849
  321    H5   MAN  40           H5       MAN  40  -4.949  -8.255  14.305
  322   1H6   MAN  40          1H6       MAN  40  -2.037  -7.798  15.091
  323   2H6   MAN  40          2H6       MAN  40  -3.457  -7.510  16.127
  324    HO2  MAN  40           HO2      MAN  40  -2.112 -10.646  12.905
  325    HO3  MAN  40           HO3      MAN  40  -4.744 -12.899  13.811
  326    HO4  MAN  40           HO4      MAN  40  -3.751  -9.454  16.731
  327    HO6  MAN  40           HO6      MAN  40  -2.732  -5.611  15.077
  328   1HN   NH2  41          1HN       NH2  41  20.800  -6.550   3.770
  329   2HN   NH2  41          2HN       NH2  41  20.727  -6.557   5.520
  Start of MODEL    8
    1   1H    CYS   1          1H        CYS   1  -6.418   4.227  -2.734
    2   2H    CYS   1          2H        CYS   1  -6.076   5.712  -3.367
    3   3H    CYS   1          3H        CYS   1  -4.939   4.518  -3.404
    4    HA   CYS   1           HA       CYS   1  -4.770   4.490  -1.061
    5   1HB   CYS   1          1HB       CYS   1  -3.412   6.009  -2.567
    6   2HB   CYS   1          2HB       CYS   1  -4.420   7.336  -2.015
    7    H    SER   2           H        SER   2  -7.091   4.052  -0.491
    8    HA   SER   2           HA       SER   2  -9.087   5.907   0.023
    9   1HB   SER   2          1HB       SER   2  -8.401   3.336   1.509
   10   2HB   SER   2          2HB       SER   2  -9.936   4.224   1.643
   11    HG   SER   2           HG       SER   2 -10.174   3.937  -0.617
   12    H    ASN   3           H        ASN   3  -7.578   4.502   2.941
   13    HA   ASN   3           HA       ASN   3  -5.613   6.118   3.224
   14   1HB   ASN   3          1HB       ASN   3  -7.860   7.813   4.087
   15   2HB   ASN   3          2HB       ASN   3  -6.744   7.562   5.409
   16   1HD2  ASN   3          1HD2      ASN   3  -4.487   7.827   5.084
   17    H    LEU   4           H        LEU   4  -4.288   5.918   4.930
   18    HA   LEU   4           HA       LEU   4  -3.217   4.832   6.556
   19   1HB   LEU   4          1HB       LEU   4  -5.831   5.327   8.033
   20   2HB   LEU   4          2HB       LEU   4  -4.242   5.072   8.769
   21    HG   LEU   4           HG       LEU   4  -5.061   7.441   7.033
   22   1HD1  LEU   4          1HD1      LEU   4  -6.044   7.427   9.291
   23   2HD1  LEU   4          2HD1      LEU   4  -4.425   7.234  10.000
   24   3HD1  LEU   4          3HD1      LEU   4  -4.841   8.716   9.113
   25   1HD2  LEU   4          1HD2      LEU   4  -2.408   6.834   8.413
   26   2HD2  LEU   4          2HD2      LEU   4  -2.675   7.008   6.663
   27   3HD2  LEU   4          3HD2      LEU   4  -2.861   8.406   7.722
   28    H    SER   5           H        SER   5  -3.557   2.952   5.038
   29    HA   SER   5           HA       SER   5  -3.349   0.573   6.363
   30   1HB   SER   5          1HB       SER   5  -5.490  -0.617   5.636
   31   2HB   SER   5          2HB       SER   5  -5.655   0.435   7.038
   32    HG   SER   5           HG       SER   5  -7.327   0.740   5.518
   33    H    THR   6           H        THR   6  -5.254   1.660   3.607
   34    HA   THR   6           HA       THR   6  -4.502   0.187   1.470
   35    HB   THR   6           HB       THR   6  -6.181   1.981   1.574
   36    HG1  THR   6           HG1      THR   6  -5.365   1.288  -0.426
   37   1HG2  THR   6          1HG2      THR   6  -4.672   3.706   2.821
   38   2HG2  THR   6          2HG2      THR   6  -4.011   4.091   1.223
   39   3HG2  THR   6          3HG2      THR   6  -5.704   4.307   1.549
   40    H    CYS   7           H        CYS   7  -2.725   3.015   2.706
   41    HA   CYS   7           HA       CYS   7  -0.542   2.622   0.729
   42   1HB   CYS   7          1HB       CYS   7  -1.929   4.971   1.972
   43   2HB   CYS   7          2HB       CYS   7  -0.255   5.143   1.421
   44    H    VAL   8           H        VAL   8  -1.253   2.212   4.065
   45    HA   VAL   8           HA       VAL   8   1.481   2.502   5.027
   46    HB   VAL   8           HB       VAL   8  -0.872   0.843   6.042
   47   1HG1  VAL   8          1HG2      VAL   8   1.791   1.552   7.350
   48   2HG1  VAL   8          2HG2      VAL   8   0.423   0.763   8.162
   49   3HG1  VAL   8          3HG2      VAL   8   1.266  -0.072   6.852
   50   1HG2  VAL   8          1HG1      VAL   8   0.206   3.554   6.937
   51   2HG2  VAL   8          2HG1      VAL   8  -1.348   3.260   6.128
   52   3HG2  VAL   8          3HG1      VAL   8  -1.071   2.626   7.753
   53    H    LEU   9           H        LEU   9  -0.659  -0.158   3.927
   54    HA   LEU   9           HA       LEU   9   1.276  -2.204   3.572
   55   1HB   LEU   9          1HB       LEU   9  -1.348  -1.573   2.168
   56   2HB   LEU   9          2HB       LEU   9  -0.446  -3.065   1.901
   57    HG   LEU   9           HG       LEU   9  -1.452  -2.209   4.654
   58   1HD1  LEU   9          1HD1      LEU   9  -3.346  -2.521   3.093
   59   2HD1  LEU   9          2HD1      LEU   9  -2.711  -4.116   2.638
   60   3HD1  LEU   9          3HD1      LEU   9  -3.279  -3.820   4.296
   61   1HD2  LEU   9          1HD2      LEU   9  -0.431  -4.872   3.568
   62   2HD2  LEU   9          2HD2      LEU   9   0.384  -3.846   4.769
   63   3HD2  LEU   9          3HD2      LEU   9  -1.148  -4.624   5.172
   64    H    GLY  10           H        GLY  10   0.173   0.446   1.419
   65   1HA   GLY  10          1HA       GLY  10   1.606  -0.192  -0.907
   66   2HA   GLY  10          2HA       GLY  10   1.190   1.440  -0.364
   67    H    LYS  11           H        LYS  11   2.648   1.810   1.921
   68    HA   LYS  11           HA       LYS  11   5.219   2.439   0.951
   69   1HB   LYS  11          1HB       LYS  11   3.813   3.407   2.894
   70   2HB   LYS  11          2HB       LYS  11   4.526   2.179   3.907
   71   1HG   LYS  11          1HG       LYS  11   5.940   4.325   2.256
   72   2HG   LYS  11          2HG       LYS  11   5.621   4.434   3.981
   73   1HD   LYS  11          1HD       LYS  11   7.519   2.396   2.725
   74   2HD   LYS  11          2HD       LYS  11   7.965   3.967   3.355
   75   1HE   LYS  11          1HE       LYS  11   8.512   2.473   5.058
   76   2HE   LYS  11          2HE       LYS  11   7.054   3.307   5.616
   77   1HZ   LYS  11          1HZ       LYS  11   7.128   0.643   4.375
   78   2HZ   LYS  11          2HZ       LYS  11   7.066   0.928   5.996
   79   3HZ   LYS  11          3HZ       LYS  11   5.806   1.369   5.040
   80    H    LEU  12           H        LEU  12   4.180  -0.136   3.249
   81    HA   LEU  12           HA       LEU  12   6.651  -1.393   3.649
   82   1HB   LEU  12          1HB       LEU  12   3.825  -2.502   3.590
   83   2HB   LEU  12          2HB       LEU  12   5.213  -3.428   4.167
   84    HG   LEU  12           HG       LEU  12   4.459  -0.732   5.360
   85   1HD1  LEU  12          1HD2      LEU  12   3.605  -3.511   6.270
   86   2HD1  LEU  12          2HD2      LEU  12   3.348  -2.000   7.170
   87   3HD1  LEU  12          3HD2      LEU  12   2.541  -2.249   5.614
   88   1HD2  LEU  12          1HD1      LEU  12   6.121  -3.066   6.420
   89   2HD2  LEU  12          2HD1      LEU  12   6.770  -1.512   5.861
   90   3HD2  LEU  12          3HD1      LEU  12   5.750  -1.571   7.302
   91    H    SER  13           H        SER  13   4.331  -1.834   0.964
   92    HA   SER  13           HA       SER  13   5.577  -4.071  -0.235
   93   1HB   SER  13          1HB       SER  13   3.331  -3.174  -0.837
   94   2HB   SER  13          2HB       SER  13   4.122  -1.823  -1.678
   95    HG   SER  13           HG       SER  13   5.181  -3.375  -2.976
   96    H    GLN  14           H        GLN  14   6.224  -0.541  -0.631
   97    HA   GLN  14           HA       GLN  14   8.283  -0.866  -2.590
   98   1HB   GLN  14          1HB       GLN  14   7.959   1.417  -0.600
   99   2HB   GLN  14          2HB       GLN  14   8.903   1.419  -2.090
  100   1HG   GLN  14          1HG       GLN  14   5.888   1.323  -1.809
  101   2HG   GLN  14          2HG       GLN  14   6.867   2.594  -2.529
  102   1HE2  GLN  14          2HE2      GLN  14   8.273   1.831  -4.474
  103   2HE2  GLN  14          1HE2      GLN  14   7.488   0.752  -5.608
  104    H    GLU  15           H        GLU  15   8.366  -0.970   0.996
  105    HA   GLU  15           HA       GLU  15  11.228  -0.915   1.195
  106   1HB   GLU  15          1HB       GLU  15   9.254  -2.246   3.097
  107   2HB   GLU  15          2HB       GLU  15  10.929  -1.801   3.432
  108   1HG   GLU  15          1HG       GLU  15   8.602   0.081   2.921
  109   2HG   GLU  15          2HG       GLU  15   9.461  -0.172   4.437
  110    H    LEU  16           H        LEU  16   8.858  -3.602   0.927
  111    HA   LEU  16           HA       LEU  16  10.735  -5.732   1.022
  112   1HB   LEU  16          1HB       LEU  16   8.013  -5.492  -0.304
  113   2HB   LEU  16          2HB       LEU  16   8.910  -7.007  -0.184
  114    HG   LEU  16           HG       LEU  16   8.115  -5.363   2.261
  115   1HD1  LEU  16          1HD1      LEU  16   6.098  -6.068   1.030
  116   2HD1  LEU  16          2HD1      LEU  16   6.697  -7.740   0.990
  117   3HD1  LEU  16          3HD1      LEU  16   6.273  -6.978   2.538
  118   1HD2  LEU  16          1HD2      LEU  16   9.046  -8.250   1.926
  119   2HD2  LEU  16          2HD2      LEU  16   9.955  -6.939   2.708
  120   3HD2  LEU  16          3HD2      LEU  16   8.462  -7.528   3.439
  121    H    HIS  17           H        HIS  17   9.505  -3.790  -1.749
  122    HA   HIS  17           HA       HIS  17  10.868  -5.241  -3.785
  123   1HB   HIS  17          1HB       HIS  17  10.127  -2.292  -3.716
  124   2HB   HIS  17          2HB       HIS  17  10.546  -3.234  -5.148
  125    HD1  HIS  17           HD1      HIS  17   8.652  -5.731  -3.864
  126    HD2  HIS  17           HD2      HIS  17   7.590  -1.835  -4.982
  127    HE1  HIS  17           HE1      HIS  17   6.151  -5.726  -4.309
  128    H    LYS  18           H        LYS  18  11.833  -2.415  -1.806
  129    HA   LYS  18           HA       LYS  18  14.196  -1.775  -3.143
  130   1HB   LYS  18          1HB       LYS  18  13.026  -0.302  -1.551
  131   2HB   LYS  18          2HB       LYS  18  13.432  -1.381  -0.223
  132   1HG   LYS  18          1HG       LYS  18  14.892   0.552  -0.217
  133   2HG   LYS  18          2HG       LYS  18  15.814  -0.921  -0.483
  134   1HD   LYS  18          1HD       LYS  18  16.613   0.917  -1.894
  135   2HD   LYS  18          2HD       LYS  18  16.031  -0.431  -2.867
  136   1HE   LYS  18          1HE       LYS  18  15.354   1.742  -3.802
  137   2HE   LYS  18          2HE       LYS  18  13.940   0.780  -3.361
  138   1HZ   LYS  18          1HZ       LYS  18  15.115   2.942  -1.757
  139   2HZ   LYS  18          2HZ       LYS  18  13.747   3.051  -2.671
  140   3HZ   LYS  18          3HZ       LYS  18  13.779   2.064  -1.352
  141    H    LEU  19           H        LEU  19  13.785  -3.796  -0.166
  142    HA   LEU  19           HA       LEU  19  16.577  -4.471  -0.062
  143   1HB   LEU  19          1HB       LEU  19  16.018  -5.904   1.772
  144   2HB   LEU  19          2HB       LEU  19  15.221  -4.341   1.899
  145    HG   LEU  19           HG       LEU  19  13.173  -5.650   0.785
  146   1HD1  LEU  19          1HD1      LEU  19  14.371  -7.845   0.535
  147   2HD1  LEU  19          2HD1      LEU  19  14.654  -7.862   2.283
  148   3HD1  LEU  19          3HD1      LEU  19  13.002  -7.954   1.643
  149   1HD2  LEU  19          1HD2      LEU  19  13.979  -5.894   3.709
  150   2HD2  LEU  19          2HD2      LEU  19  13.142  -4.514   2.968
  151   3HD2  LEU  19          3HD2      LEU  19  12.334  -6.086   3.068
  152    H    GLN  20           H        GLN  20  13.789  -5.953  -1.680
  153    HA   GLN  20           HA       GLN  20  14.948  -8.506  -2.166
  154   1HB   GLN  20          1HB       GLN  20  12.606  -8.156  -2.349
  155   2HB   GLN  20          2HB       GLN  20  12.783  -6.933  -3.609
  156   1HG   GLN  20          1HG       GLN  20  13.659  -9.840  -3.922
  157   2HG   GLN  20          2HG       GLN  20  12.034  -9.269  -4.315
  158   1HE2  GLN  20          2HE2      GLN  20  12.134  -7.070  -5.723
  159   2HE2  GLN  20          1HE2      GLN  20  13.145  -7.220  -7.144
  160    H    THR  21           H        THR  21  14.824  -5.530  -4.232
  161    HA   THR  21           HA       THR  21  16.491  -6.756  -6.246
  162    HB   THR  21           HB       THR  21  14.716  -5.061  -6.692
  163    HG1  THR  21           HG1      THR  21  17.344  -4.529  -7.596
  164   1HG2  THR  21          1HG2      THR  21  15.360  -3.392  -4.893
  165   2HG2  THR  21          2HG2      THR  21  16.808  -3.008  -5.846
  166   3HG2  THR  21          3HG2      THR  21  15.199  -2.702  -6.515
  167    H    TYR  22           H        TYR  22  17.051  -4.623  -3.487
  168    HA   TYR  22           HA       TYR  22  18.779  -3.581  -2.613
  169   1HB   TYR  22          1HB       TYR  22  20.853  -4.791  -2.266
  170   2HB   TYR  22          2HB       TYR  22  19.382  -5.612  -1.785
  171    HD1  TYR  22           HD1      TYR  22  22.297  -5.731  -4.041
  172    HD2  TYR  22           HD2      TYR  22  18.653  -7.675  -2.822
  173    HE1  TYR  22           HE1      TYR  22  22.979  -7.769  -5.261
  174    HE2  TYR  22           HE2      TYR  22  19.322  -9.710  -4.066
  175    HH   TYR  22           HH       TYR  22  22.412  -9.914  -5.874
  176    HA   PRO  23           HA       PRO  23  20.336  -1.660  -6.493
  177   1HB   PRO  23          1HB       PRO  23  20.371   0.945  -5.635
  178   2HB   PRO  23          2HB       PRO  23  18.906   0.110  -6.225
  179   1HG   PRO  23          1HG       PRO  23  19.764   0.521  -3.359
  180   2HG   PRO  23          2HG       PRO  23  18.152   0.795  -4.077
  181   1HD   PRO  23          1HD       PRO  23  18.782  -1.460  -2.720
  182   2HD   PRO  23          2HD       PRO  23  17.698  -1.536  -4.142
  183    H    ARG  24           H        ARG  24  21.345  -0.967  -3.130
  184    HA   ARG  24           HA       ARG  24  23.309  -1.043  -2.077
  185   1HB   ARG  24          1HB       ARG  24  23.100  -3.335  -3.024
  186   2HB   ARG  24          2HB       ARG  24  24.158  -2.868  -4.364
  187   1HG   ARG  24          1HG       ARG  24  25.926  -2.249  -2.654
  188   2HG   ARG  24          2HG       ARG  24  24.853  -2.864  -1.393
  189   1HD   ARG  24          1HD       ARG  24  26.037  -4.425  -3.736
  190   2HD   ARG  24          2HD       ARG  24  26.550  -4.529  -2.052
  191    HE   ARG  24           HE       ARG  24  24.360  -5.894  -3.322
  192   1HH1  ARG  24          1HH2      ARG  24  25.333  -4.543  -0.173
  193   2HH1  ARG  24          2HH2      ARG  24  24.326  -5.650   0.729
  194   1HH2  ARG  24          1HH1      ARG  24  23.087  -7.335  -2.106
  195   2HH2  ARG  24          2HH1      ARG  24  23.057  -7.228  -0.362
  196    H    THR  25           H        THR  25  23.724   1.219  -2.402
  197    HA   THR  25           HA       THR  25  25.657   1.978  -4.500
  198    HB   THR  25           HB       THR  25  24.455   3.718  -2.318
  199    HG1  THR  25           HG1      THR  25  22.802   2.756  -3.507
  200   1HG2  THR  25          1HG2      THR  25  25.541   4.336  -5.113
  201   2HG2  THR  25          2HG2      THR  25  24.825   5.510  -3.992
  202   3HG2  THR  25          3HG2      THR  25  26.366   4.740  -3.595
  203    H    ASP  26           H        ASP  26  26.743   0.037  -3.015
  204    HA   ASP  26           HA       ASP  26  29.152   1.124  -2.024
  205   1HB   ASP  26          1HB       ASP  26  27.833   1.674   0.012
  206   2HB   ASP  26          2HB       ASP  26  27.257   0.008   0.101
  207    H    VAL  27           H        VAL  27  29.321  -0.395  -3.913
  208    HA   VAL  27           HA       VAL  27  28.883  -3.242  -3.377
  209    HB   VAL  27           HB       VAL  27  30.039  -1.864  -5.829
  210   1HG1  VAL  27          1HG1      VAL  27  30.580  -4.302  -5.660
  211   2HG1  VAL  27          2HG1      VAL  27  28.856  -4.652  -5.421
  212   3HG1  VAL  27          3HG1      VAL  27  29.425  -3.973  -6.958
  213   1HG2  VAL  27          1HG2      VAL  27  27.184  -2.715  -5.184
  214   2HG2  VAL  27          2HG2      VAL  27  27.762  -1.057  -5.459
  215   3HG2  VAL  27          3HG2      VAL  27  27.764  -2.221  -6.787
  216    H    GLY  28           H        GLY  28  30.360  -3.684  -1.683
  217   1HA   GLY  28          1HA       GLY  28  33.224  -3.114  -1.982
  218   2HA   GLY  28          2HA       GLY  28  32.425  -3.979  -0.668
  219    H    ALA  29           H        ALA  29  32.562  -6.188  -0.656
  220    HA   ALA  29           HA       ALA  29  33.732  -7.637  -2.964
  221   1HB   ALA  29          1HB       ALA  29  32.990  -8.526  -0.145
  222   2HB   ALA  29          2HB       ALA  29  33.810  -9.516  -1.375
  223   3HB   ALA  29          3HB       ALA  29  34.610  -8.077  -0.716
  224    H    GLY  30           H        GLY  30  31.598  -6.744  -4.019
  225   1HA   GLY  30          1HA       GLY  30  29.495  -7.134  -4.870
  226   2HA   GLY  30          2HA       GLY  30  29.418  -8.702  -4.041
  227    H    THR  31           H        THR  31  28.703  -8.782  -1.879
  228    HA   THR  31           HA       THR  31  27.281  -6.515  -0.727
  229    HB   THR  31           HB       THR  31  27.948  -9.293   0.320
  230    HG1  THR  31           HG1      THR  31  26.514  -9.204  -1.448
  231   1HG2  THR  31          1HG2      THR  31  26.029  -7.206   1.449
  232   2HG2  THR  31          2HG2      THR  31  26.205  -8.878   2.010
  233   3HG2  THR  31          3HG2      THR  31  27.545  -7.739   2.213
  234    HA   PRO  32           HA       PRO  32  31.212  -5.130   0.982
  235   1HB   PRO  32          1HB       PRO  32  30.422  -3.011   2.495
  236   2HB   PRO  32          2HB       PRO  32  30.275  -3.004   0.714
  237   1HG   PRO  32          1HG       PRO  32  28.126  -3.730   2.730
  238   2HG   PRO  32          2HG       PRO  32  27.999  -2.552   1.392
  239   1HD   PRO  32          1HD       PRO  32  27.127  -5.104   1.128
  240   2HD   PRO  32          2HD       PRO  32  27.945  -4.276  -0.233
  241    H1   NAG  33           H1       NAG  33  -3.602   8.141   2.393
  242    H2   NAG  33           H2       NAG  33  -2.506  10.089   4.461
  243    H3   NAG  33           H3       NAG  33  -1.857   9.493   1.548
  244    H4   NAG  33           H4       NAG  33  -0.203   9.176   4.078
  245    H5   NAG  33           H5       NAG  33  -1.422   7.036   2.288
  246   1H6   NAG  33          1H6       NAG  33   0.081   6.969   4.947
  247   2H6   NAG  33          2H6       NAG  33   0.557   6.197   3.416
  248   1H8   NAG  33          1H8       NAG  33  -6.104  12.081   2.371
  249   2H8   NAG  33          2H8       NAG  33  -5.925  13.243   3.703
  250   3H8   NAG  33          3H8       NAG  33  -4.800  13.290   2.328
  251    HN2  NAG  33           HN2      NAG  33  -3.842  10.909   1.911
  252    HO3  NAG  33           HO3      NAG  33  -0.680  11.383   3.367
  253    HO6  NAG  33           HO6      NAG  33  -1.713   5.569   5.002
  254    H1   NAG  34           H1       NAG  34   2.002   7.929   3.406
  255    H2   NAG  34           H2       NAG  34   2.743   9.511   0.893
  256    H3   NAG  34           H3       NAG  34   4.475   7.844   2.770
  257    H4   NAG  34           H4       NAG  34   4.341  10.841   2.276
  258    H5   NAG  34           H5       NAG  34   3.431   9.212   4.696
  259   1H6   NAG  34          1H6       NAG  34   3.342  12.212   4.138
  260   2H6   NAG  34          2H6       NAG  34   4.363  11.398   5.350
  261   1H8   NAG  34          1H8       NAG  34   3.291   5.292  -0.739
  262   2H8   NAG  34          2H8       NAG  34   2.846   4.118   0.511
  263   3H8   NAG  34          3H8       NAG  34   1.588   5.104  -0.266
  264    HN2  NAG  34           HN2      NAG  34   2.485   7.593  -0.244
  265    HO3  NAG  34           HO3      NAG  34   6.145   8.796   1.446
  266    HO6  NAG  34           HO6      NAG  34   2.436  12.240   6.246
  267    H1   MAN  35           H1       MAN  35   5.987  12.029   3.482
  268    H2   MAN  35           H2       MAN  35   7.428  11.158   5.308
  269    H3   MAN  35           H3       MAN  35   8.035  13.196   4.171
  270    H4   MAN  35           H4       MAN  35   9.629  11.448   2.267
  271    H5   MAN  35           H5       MAN  35   7.096  13.078   1.731
  272   1H6   MAN  35          1H6       MAN  35   7.280  11.748  -0.482
  273   2H6   MAN  35          2H6       MAN  35   8.953  11.385   0.029
  274    HO2  MAN  35           HO2      MAN  35   8.780   9.818   3.160
  275    HO4  MAN  35           HO4      MAN  35  10.064  13.432   1.261
  276    H1   MAN  36           H1       MAN  36   9.094  12.347  -2.031
  277    H2   MAN  36           H2       MAN  36  11.075  12.964  -0.618
  278    H3   MAN  36           H3       MAN  36  10.237  15.144   0.115
  279    H4   MAN  36           H4       MAN  36  10.692  15.989  -2.760
  280    H5   MAN  36           H5       MAN  36   8.187  15.724  -1.034
  281   1H6   MAN  36          1H6       MAN  36   8.204  17.605  -2.877
  282   2H6   MAN  36          2H6       MAN  36   6.838  16.514  -2.647
  283    HO2  MAN  36           HO2      MAN  36  12.310  13.751  -2.428
  284    HO4  MAN  36           HO4      MAN  36   9.781  17.414  -0.446
  285    H1   MAN  37           H1       MAN  37   9.066  13.243   6.380
  286    H2   MAN  37           H2       MAN  37   9.332  14.800   4.341
  287    H3   MAN  37           H3       MAN  37  11.530  14.157   3.647
  288    H4   MAN  37           H4       MAN  37  12.553  15.246   6.287
  289    H5   MAN  37           H5       MAN  37  12.392  12.392   5.192
  290   1H6   MAN  37          1H6       MAN  37  14.404  12.733   6.577
  291   2H6   MAN  37          2H6       MAN  37  13.208  11.707   7.398
  292    HO3  MAN  37           HO3      MAN  37  11.544  16.804   4.741
  293    HO4  MAN  37           HO4      MAN  37  13.819  14.005   4.030
  294    HO6  MAN  37           HO6      MAN  37  14.081  13.323   8.773
  295    H1   MAN  38           H1       MAN  38   9.827  16.975  -4.315
  296    H2   MAN  38           H2       MAN  38   8.525  17.806  -6.276
  297    H3   MAN  38           H3       MAN  38   7.325  15.789  -6.869
  298    H4   MAN  38           H4       MAN  38  10.030  14.600  -7.609
  299    H5   MAN  38           H5       MAN  38   8.135  13.907  -5.308
  300   1H6   MAN  38          1H6       MAN  38  10.020  12.464  -4.554
  301   2H6   MAN  38          2H6       MAN  38  10.848  12.763  -6.100
  302    HO2  MAN  38           HO2      MAN  38  10.844  17.752  -6.234
  303    HO3  MAN  38           HO3      MAN  38   7.857  15.752  -9.124
  304    HO4  MAN  38           HO4      MAN  38   8.211  13.928  -8.873
  305    HO6  MAN  38           HO6      MAN  38   9.619  10.821  -6.081
  306    H1   MAN  39           H1       MAN  39  11.778  16.213   1.255
  307    H2   MAN  39           H2       MAN  39  13.895  17.157   0.284
  308    H3   MAN  39           H3       MAN  39  14.840  15.138  -0.673
  309    H4   MAN  39           H4       MAN  39  15.133  14.136   2.191
  310    H5   MAN  39           H5       MAN  39  13.316  13.167  -0.067
  311   1H6   MAN  39          1H6       MAN  39  13.545  12.275   2.842
  312   2H6   MAN  39          2H6       MAN  39  14.098  11.347   1.426
  313    HO2  MAN  39           HO2      MAN  39  14.046  15.796   2.801
  314    HO3  MAN  39           HO3      MAN  39  16.290  16.763   0.136
  315    HO4  MAN  39           HO4      MAN  39  16.766  13.482   0.676
  316    HO6  MAN  39           HO6      MAN  39  12.001  10.743   2.137
  317    H1   MAN  40           H1       MAN  40   9.393  17.284   4.949
  318    H2   MAN  40           H2       MAN  40   9.855  17.989   7.323
  319    H3   MAN  40           H3       MAN  40   8.731  16.191   8.498
  320    H4   MAN  40           H4       MAN  40   6.121  17.298   7.378
  321    H5   MAN  40           H5       MAN  40   7.582  14.691   6.748
  322   1H6   MAN  40          1H6       MAN  40   5.879  14.533   4.907
  323   2H6   MAN  40          2H6       MAN  40   4.981  15.861   5.679
  324    HO2  MAN  40           HO2      MAN  40   7.271  18.603   6.244
  325    HO3  MAN  40           HO3      MAN  40   7.375  18.688   8.874
  326    HO4  MAN  40           HO4      MAN  40   6.049  16.339   9.491
  327    HO6  MAN  40           HO6      MAN  40   4.245  13.769   6.300
  328   1HN   NH2  41          1HN       NH2  41  31.815  -5.922   4.412
  329   2HN   NH2  41          2HN       NH2  41  32.406  -5.064   3.005
  Start of MODEL    9
    1   1H    CYS   1          1H        CYS   1  -3.355   8.428  -1.926
    2   2H    CYS   1          2H        CYS   1  -2.692   9.576  -0.945
    3   3H    CYS   1          3H        CYS   1  -1.733   8.424  -1.632
    4    HA   CYS   1           HA       CYS   1  -2.792   6.705  -0.415
    5   1HB   CYS   1          1HB       CYS   1  -0.783   7.808   0.481
    6   2HB   CYS   1          2HB       CYS   1  -1.793   8.979   1.323
    7    H    SER   2           H        SER   2  -5.110   7.118  -1.114
    8    HA   SER   2           HA       SER   2  -6.898   8.351   0.817
    9   1HB   SER   2          1HB       SER   2  -8.628   7.005  -0.371
   10   2HB   SER   2          2HB       SER   2  -7.652   8.010  -1.462
   11    HG   SER   2           HG       SER   2  -7.918   5.851  -2.209
   12    H    ASN   3           H        ASN   3  -7.953   7.326   2.497
   13    HA   ASN   3           HA       ASN   3  -7.903   6.265   4.437
   14   1HB   ASN   3          1HB       ASN   3  -8.345   3.900   4.476
   15   2HB   ASN   3          2HB       ASN   3  -9.213   4.667   3.158
   16   1HD2  ASN   3          1HD2      ASN   3  -8.867   4.018   1.072
   17    H    LEU   4           H        LEU   4  -6.620   4.001   5.486
   18    HA   LEU   4           HA       LEU   4  -3.744   4.326   5.056
   19   1HB   LEU   4          1HB       LEU   4  -3.289   4.814   7.405
   20   2HB   LEU   4          2HB       LEU   4  -4.082   6.148   6.587
   21    HG   LEU   4           HG       LEU   4  -5.808   4.217   8.165
   22   1HD1  LEU   4          1HD1      LEU   4  -4.122   6.447   9.370
   23   2HD1  LEU   4          2HD1      LEU   4  -5.392   5.531  10.210
   24   3HD1  LEU   4          3HD1      LEU   4  -3.923   4.705   9.665
   25   1HD2  LEU   4          1HD2      LEU   4  -5.906   7.234   7.701
   26   2HD2  LEU   4          2HD2      LEU   4  -6.946   6.031   6.913
   27   3HD2  LEU   4          3HD2      LEU   4  -7.072   6.294   8.651
   28    H    SER   5           H        SER   5  -5.003   2.218   4.272
   29    HA   SER   5           HA       SER   5  -4.325   0.098   6.249
   30   1HB   SER   5          1HB       SER   5  -6.734   0.431   6.438
   31   2HB   SER   5          2HB       SER   5  -6.925   0.353   4.679
   32    HG   SER   5           HG       SER   5  -7.372  -1.641   5.702
   33    H    THR   6           H        THR   6  -5.644   0.449   2.903
   34    HA   THR   6           HA       THR   6  -3.865  -1.616   1.886
   35    HB   THR   6           HB       THR   6  -5.724   0.302   0.473
   36    HG1  THR   6           HG1      THR   6  -7.043  -1.591   0.436
   37   1HG2  THR   6          1HG2      THR   6  -4.326  -2.212  -0.513
   38   2HG2  THR   6          2HG2      THR   6  -5.641  -1.387  -1.371
   39   3HG2  THR   6          3HG2      THR   6  -4.100  -0.554  -1.126
   40    H    CYS   7           H        CYS   7  -3.982   1.968   1.936
   41    HA   CYS   7           HA       CYS   7  -1.717   2.491   0.289
   42   1HB   CYS   7          1HB       CYS   7  -3.136   4.312   0.947
   43   2HB   CYS   7          2HB       CYS   7  -2.915   3.948   2.664
   44    H    VAL   8           H        VAL   8  -2.008   1.950   3.842
   45    HA   VAL   8           HA       VAL   8   0.751   2.151   4.439
   46    HB   VAL   8           HB       VAL   8  -1.554   0.765   5.863
   47   1HG1  VAL   8          1HG1      VAL   8   1.286   1.293   6.846
   48   2HG1  VAL   8          2HG1      VAL   8  -0.081   0.840   7.885
   49   3HG1  VAL   8          3HG1      VAL   8   0.502  -0.294   6.664
   50   1HG2  VAL   8          1HG2      VAL   8  -1.697   3.251   5.632
   51   2HG2  VAL   8          2HG2      VAL   8  -1.455   2.754   7.314
   52   3HG2  VAL   8          3HG2      VAL   8  -0.095   3.400   6.375
   53    H    LEU   9           H        LEU   9  -1.279  -0.749   3.731
   54    HA   LEU   9           HA       LEU   9   0.705  -2.702   4.024
   55   1HB   LEU   9          1HB       LEU   9  -1.677  -3.192   3.825
   56   2HB   LEU   9          2HB       LEU   9  -1.704  -2.543   2.180
   57    HG   LEU   9           HG       LEU   9  -0.227  -4.359   1.409
   58   1HD1  LEU   9          1HD1      LEU   9  -0.467  -5.384   4.277
   59   2HD1  LEU   9          2HD1      LEU   9   0.165  -6.324   2.910
   60   3HD1  LEU   9          3HD1      LEU   9   1.032  -4.887   3.459
   61   1HD2  LEU   9          1HD2      LEU   9  -2.678  -4.599   1.312
   62   2HD2  LEU   9          2HD2      LEU   9  -1.889  -6.163   1.585
   63   3HD2  LEU   9          3HD2      LEU   9  -2.680  -5.322   2.936
   64    H    GLY  10           H        GLY  10  -0.178  -0.693   1.182
   65   1HA   GLY  10          1HA       GLY  10   1.642  -1.808  -0.695
   66   2HA   GLY  10          2HA       GLY  10   0.911  -0.197  -0.741
   67    H    LYS  11           H        LYS  11   1.996   0.785   1.765
   68    HA   LYS  11           HA       LYS  11   4.260   1.990   0.684
   69   1HB   LYS  11          1HB       LYS  11   2.724   2.996   2.346
   70   2HB   LYS  11          2HB       LYS  11   3.372   1.929   3.589
   71   1HG   LYS  11          1HG       LYS  11   4.346   4.070   3.833
   72   2HG   LYS  11          2HG       LYS  11   5.620   2.976   3.311
   73   1HD   LYS  11          1HD       LYS  11   4.135   4.510   1.175
   74   2HD   LYS  11          2HD       LYS  11   5.143   5.458   2.265
   75   1HE   LYS  11          1HE       LYS  11   6.197   3.117   0.621
   76   2HE   LYS  11          2HE       LYS  11   6.313   4.824   0.184
   77   1HZ   LYS  11          1HZ       LYS  11   7.547   5.203   2.181
   78   2HZ   LYS  11          2HZ       LYS  11   7.471   3.604   2.581
   79   3HZ   LYS  11          3HZ       LYS  11   8.283   4.077   1.228
   80    H    LEU  12           H        LEU  12   4.246  -0.149   3.646
   81    HA   LEU  12           HA       LEU  12   7.105  -0.397   3.526
   82   1HB   LEU  12          1HB       LEU  12   6.796  -2.213   5.230
   83   2HB   LEU  12          2HB       LEU  12   6.444  -0.553   5.658
   84    HG   LEU  12           HG       LEU  12   4.961  -2.478   6.491
   85   1HD1  LEU  12          1HD2      LEU  12   3.824   0.147   5.502
   86   2HD1  LEU  12          2HD2      LEU  12   2.987  -0.977   6.592
   87   3HD1  LEU  12          3HD2      LEU  12   4.517  -0.234   7.079
   88   1HD2  LEU  12          1HD1      LEU  12   4.439  -3.526   4.340
   89   2HD2  LEU  12          2HD1      LEU  12   2.999  -3.049   5.253
   90   3HD2  LEU  12          3HD1      LEU  12   3.518  -2.074   3.875
   91    H    SER  13           H        SER  13   4.518  -2.308   2.044
   92    HA   SER  13           HA       SER  13   6.104  -4.582   1.380
   93   1HB   SER  13          1HB       SER  13   3.686  -4.578   1.128
   94   2HB   SER  13          2HB       SER  13   3.783  -3.316  -0.127
   95    HG   SER  13           HG       SER  13   5.012  -4.798  -1.365
   96    H    GLN  14           H        GLN  14   5.623  -1.415  -0.273
   97    HA   GLN  14           HA       GLN  14   7.232  -1.982  -2.540
   98   1HB   GLN  14          1HB       GLN  14   5.616  -0.133  -2.413
   99   2HB   GLN  14          2HB       GLN  14   6.645   0.701  -1.230
  100   1HG   GLN  14          1HG       GLN  14   8.475   0.814  -2.912
  101   2HG   GLN  14          2HG       GLN  14   7.453  -0.057  -4.070
  102   1HE2  GLN  14          2HE2      GLN  14   8.250   2.089  -5.191
  103   2HE2  GLN  14          1HE2      GLN  14   7.120   3.422  -5.107
  104    H    GLU  15           H        GLU  15   8.033  -0.426   0.628
  105    HA   GLU  15           HA       GLU  15  10.729   0.175   0.103
  106   1HB   GLU  15          1HB       GLU  15   9.344  -0.608   2.695
  107   2HB   GLU  15          2HB       GLU  15  11.005  -0.006   2.600
  108   1HG   GLU  15          1HG       GLU  15  10.267   2.099   1.626
  109   2HG   GLU  15          2HG       GLU  15   8.596   1.534   1.549
  110    H    LEU  16           H        LEU  16   9.355  -2.806   1.592
  111    HA   LEU  16           HA       LEU  16  11.768  -4.249   1.836
  112   1HB   LEU  16          1HB       LEU  16   8.890  -5.128   1.460
  113   2HB   LEU  16          2HB       LEU  16  10.198  -6.262   1.806
  114    HG   LEU  16           HG       LEU  16   9.582  -3.902   3.636
  115   1HD1  LEU  16          1HD1      LEU  16   7.576  -5.333   3.451
  116   2HD1  LEU  16          2HD1      LEU  16   8.560  -6.767   3.812
  117   3HD1  LEU  16          3HD1      LEU  16   8.340  -5.501   5.040
  118   1HD2  LEU  16          1HD2      LEU  16  11.104  -6.512   4.060
  119   2HD2  LEU  16          2HD2      LEU  16  11.822  -4.890   3.961
  120   3HD2  LEU  16          3HD2      LEU  16  10.761  -5.301   5.311
  121    H    HIS  17           H        HIS  17   9.492  -4.007  -0.929
  122    HA   HIS  17           HA       HIS  17  10.768  -5.990  -2.530
  123   1HB   HIS  17          1HB       HIS  17   8.469  -5.288  -2.897
  124   2HB   HIS  17          2HB       HIS  17   8.994  -3.645  -3.286
  125    HD1  HIS  17           HD1      HIS  17   9.651  -7.204  -4.589
  126    HD2  HIS  17           HD2      HIS  17   9.373  -3.256  -5.970
  127    HE1  HIS  17           HE1      HIS  17   9.932  -7.262  -7.115
  128    H    LYS  18           H        LYS  18  11.384  -2.497  -2.095
  129    HA   LYS  18           HA       LYS  18  13.156  -2.289  -4.382
  130   1HB   LYS  18          1HB       LYS  18  12.601  -0.494  -1.997
  131   2HB   LYS  18          2HB       LYS  18  13.741  -0.074  -3.278
  132   1HG   LYS  18          1HG       LYS  18  10.823  -0.735  -3.837
  133   2HG   LYS  18          2HG       LYS  18  11.403   0.896  -3.471
  134   1HD   LYS  18          1HD       LYS  18  12.950   0.769  -5.417
  135   2HD   LYS  18          2HD       LYS  18  12.285  -0.820  -5.838
  136   1HE   LYS  18          1HE       LYS  18  10.684   1.771  -5.668
  137   2HE   LYS  18          2HE       LYS  18  11.273   1.015  -7.159
  138   1HZ   LYS  18          1HZ       LYS  18   9.946  -0.899  -6.648
  139   2HZ   LYS  18          2HZ       LYS  18   9.372  -0.184  -5.277
  140   3HZ   LYS  18          3HZ       LYS  18   9.015   0.459  -6.751
  141    H    LEU  19           H        LEU  19  13.740  -2.257  -0.801
  142    HA   LEU  19           HA       LEU  19  16.566  -2.317  -1.129
  143   1HB   LEU  19          1HB       LEU  19  16.727  -2.511   1.230
  144   2HB   LEU  19          2HB       LEU  19  15.466  -1.370   0.787
  145    HG   LEU  19           HG       LEU  19  13.913  -3.566   1.122
  146   1HD1  LEU  19          1HD1      LEU  19  15.881  -5.017   1.790
  147   2HD1  LEU  19          2HD1      LEU  19  16.172  -3.926   3.148
  148   3HD1  LEU  19          3HD1      LEU  19  14.665  -4.858   3.063
  149   1HD2  LEU  19          1HD2      LEU  19  13.638  -1.376   2.255
  150   2HD2  LEU  19          2HD2      LEU  19  13.430  -2.725   3.385
  151   3HD2  LEU  19          3HD2      LEU  19  14.945  -1.797   3.378
  152    H    GLN  20           H        GLN  20  14.221  -4.908  -0.497
  153    HA   GLN  20           HA       GLN  20  14.524  -7.181  -0.287
  154   1HB   GLN  20          1HB       GLN  20  13.642  -6.336  -2.455
  155   2HB   GLN  20          2HB       GLN  20  15.230  -6.593  -3.180
  156   1HG   GLN  20          1HG       GLN  20  15.008  -9.050  -2.544
  157   2HG   GLN  20          2HG       GLN  20  13.392  -8.689  -1.924
  158   1HE2  GLN  20          2HE2      GLN  20  11.989  -7.364  -3.635
  159   2HE2  GLN  20          1HE2      GLN  20  12.016  -8.026  -5.254
  160    H    THR  21           H        THR  21  16.597  -6.814   1.080
  161    HA   THR  21           HA       THR  21  18.617  -7.515   1.730
  162    HB   THR  21           HB       THR  21  18.135  -9.865  -0.146
  163    HG1  THR  21           HG1      THR  21  16.847 -10.651   1.543
  164   1HG2  THR  21          1HG2      THR  21  19.387  -9.651   2.634
  165   2HG2  THR  21          2HG2      THR  21  19.067 -11.164   1.766
  166   3HG2  THR  21          3HG2      THR  21  20.262 -10.030   1.134
  167    H    TYR  22           H        TYR  22  18.952  -5.539  -0.124
  168    HA   TYR  22           HA       TYR  22  21.382  -6.397  -1.625
  169   1HB   TYR  22          1HB       TYR  22  19.789  -3.893  -2.156
  170   2HB   TYR  22          2HB       TYR  22  21.136  -4.545  -3.066
  171    HD1  TYR  22           HD1      TYR  22  20.421  -7.429  -3.386
  172    HD2  TYR  22           HD2      TYR  22  18.032  -3.849  -3.723
  173    HE1  TYR  22           HE1      TYR  22  18.807  -8.635  -4.807
  174    HE2  TYR  22           HE2      TYR  22  16.425  -5.063  -5.156
  175    HH   TYR  22           HH       TYR  22  15.842  -7.082  -6.094
  176    HA   PRO  23           HA       PRO  23  22.741  -2.522   0.949
  177   1HB   PRO  23          1HB       PRO  23  20.876  -2.890   3.298
  178   2HB   PRO  23          2HB       PRO  23  21.612  -1.390   2.669
  179   1HG   PRO  23          1HG       PRO  23  19.025  -1.960   2.124
  180   2HG   PRO  23          2HG       PRO  23  20.089  -1.356   0.816
  181   1HD   PRO  23          1HD       PRO  23  19.345  -4.228   1.426
  182   2HD   PRO  23          2HD       PRO  23  19.277  -3.351  -0.131
  183    H    ARG  24           H        ARG  24  21.212  -5.130   2.881
  184    HA   ARG  24           HA       ARG  24  23.868  -6.170   3.769
  185   1HB   ARG  24          1HB       ARG  24  21.024  -6.770   4.690
  186   2HB   ARG  24          2HB       ARG  24  22.488  -7.599   5.254
  187   1HG   ARG  24          1HG       ARG  24  23.389  -5.440   6.090
  188   2HG   ARG  24          2HG       ARG  24  21.904  -4.618   5.563
  189   1HD   ARG  24          1HD       ARG  24  20.567  -6.072   7.054
  190   2HD   ARG  24          2HD       ARG  24  22.053  -6.888   7.590
  191    HE   ARG  24           HE       ARG  24  22.381  -4.104   7.978
  192   1HH1  ARG  24          1HH2      ARG  24  20.433  -6.777   9.291
  193   2HH1  ARG  24          2HH2      ARG  24  20.272  -6.034  10.865
  194   1HH2  ARG  24          1HH1      ARG  24  22.151  -3.162  10.044
  195   2HH2  ARG  24          2HH1      ARG  24  21.245  -3.985  11.293
  196    H    THR  25           H        THR  25  24.665  -7.542   2.252
  197    HA   THR  25           HA       THR  25  22.905  -8.987   0.398
  198    HB   THR  25           HB       THR  25  25.054  -9.699  -0.607
  199    HG1  THR  25           HG1      THR  25  26.949  -8.732   0.223
  200   1HG2  THR  25          1HG2      THR  25  23.959  -7.572  -1.298
  201   2HG2  THR  25          2HG2      THR  25  24.930  -6.698  -0.089
  202   3HG2  THR  25          3HG2      THR  25  25.726  -7.517  -1.445
  203    H    ASP  26           H        ASP  26  22.046  -9.924   2.644
  204    HA   ASP  26           HA       ASP  26  23.552 -12.121   3.762
  205   1HB   ASP  26          1HB       ASP  26  21.921 -10.829   5.068
  206   2HB   ASP  26          2HB       ASP  26  20.617 -11.346   3.991
  207    H    VAL  27           H        VAL  27  23.197 -14.322   3.493
  208    HA   VAL  27           HA       VAL  27  21.203 -15.297   1.580
  209    HB   VAL  27           HB       VAL  27  23.127 -14.799   0.184
  210   1HG1  VAL  27          1HG1      VAL  27  24.967 -15.043   1.820
  211   2HG1  VAL  27          2HG1      VAL  27  24.769 -16.807   1.778
  212   3HG1  VAL  27          3HG1      VAL  27  25.244 -15.933   0.318
  213   1HG2  VAL  27          1HG2      VAL  27  21.655 -16.679  -0.389
  214   2HG2  VAL  27          2HG2      VAL  27  23.310 -16.894  -0.977
  215   3HG2  VAL  27          3HG2      VAL  27  22.753 -17.806   0.432
  216    H    GLY  28           H        GLY  28  20.755 -15.456   4.083
  217   1HA   GLY  28          1HA       GLY  28  21.809 -17.825   5.416
  218   2HA   GLY  28          2HA       GLY  28  20.433 -16.818   5.895
  219    H    ALA  29           H        ALA  29  21.483 -19.304   3.596
  220    HA   ALA  29           HA       ALA  29  20.461 -20.785   2.267
  221   1HB   ALA  29          1HB       ALA  29  19.622 -21.733   4.393
  222   2HB   ALA  29          2HB       ALA  29  18.156 -20.740   4.264
  223   3HB   ALA  29          3HB       ALA  29  18.497 -21.985   3.048
  224    H    GLY  30           H        GLY  30  20.387 -18.186   1.451
  225   1HA   GLY  30          1HA       GLY  30  17.693 -17.408   0.586
  226   2HA   GLY  30          2HA       GLY  30  19.221 -16.571   0.292
  227    H    THR  31           H        THR  31  17.676 -19.718  -0.492
  228    HA   THR  31           HA       THR  31  19.116 -20.220  -2.855
  229    HB   THR  31           HB       THR  31  16.430 -21.300  -1.928
  230    HG1  THR  31           HG1      THR  31  19.082 -22.252  -1.754
  231   1HG2  THR  31          1HG2      THR  31  18.346 -22.296  -4.086
  232   2HG2  THR  31          2HG2      THR  31  16.952 -23.192  -3.447
  233   3HG2  THR  31          3HG2      THR  31  16.694 -21.694  -4.357
  234    HA   PRO  32           HA       PRO  32  15.646 -18.175  -5.461
  235   1HB   PRO  32          1HB       PRO  32  13.716 -16.637  -4.277
  236   2HB   PRO  32          2HB       PRO  32  13.546 -18.395  -4.549
  237   1HG   PRO  32          1HG       PRO  32  14.438 -17.011  -2.004
  238   2HG   PRO  32          2HG       PRO  32  13.182 -18.269  -2.188
  239   1HD   PRO  32          1HD       PRO  32  15.676 -18.921  -1.430
  240   2HD   PRO  32          2HD       PRO  32  14.790 -19.946  -2.597
  241    H1   NAG  33           H1       NAG  33  -6.668   2.112   0.497
  242    H2   NAG  33           H2       NAG  33  -9.647   1.718  -0.090
  243    H3   NAG  33           H3       NAG  33  -7.352  -0.042  -0.993
  244    H4   NAG  33           H4       NAG  33  -9.092   1.843  -2.618
  245    H5   NAG  33           H5       NAG  33  -6.150   1.972  -1.803
  246   1H6   NAG  33          1H6       NAG  33  -6.423   2.784  -4.102
  247   2H6   NAG  33          2H6       NAG  33  -6.089   4.117  -2.988
  248   1H8   NAG  33          1H8       NAG  33  -8.403  -0.974   3.331
  249   2H8   NAG  33          2H8       NAG  33  -9.547  -0.037   4.318
  250   3H8   NAG  33          3H8       NAG  33 -10.146  -1.282   3.200
  251    HN2  NAG  33           HN2      NAG  33  -7.929  -0.280   1.271
  252    HO3  NAG  33           HO3      NAG  33  -9.398  -1.055  -0.611
  253    HO6  NAG  33           HO6      NAG  33  -7.807   4.576  -4.449
  254    H1   NAG  34           H1       NAG  34  -8.895   1.471  -4.927
  255    H2   NAG  34           H2       NAG  34  -7.533  -1.228  -5.407
  256    H3   NAG  34           H3       NAG  34  -9.122   0.482  -7.368
  257    H4   NAG  34           H4       NAG  34  -9.799  -2.179  -6.056
  258    H5   NAG  34           H5       NAG  34 -10.961   0.595  -5.574
  259   1H6   NAG  34          1H6       NAG  34 -11.636  -2.117  -4.347
  260   2H6   NAG  34          2H6       NAG  34 -12.684  -1.168  -5.431
  261   1H8   NAG  34          1H8       NAG  34  -4.627   2.274  -6.243
  262   2H8   NAG  34          2H8       NAG  34  -4.852   1.642  -7.890
  263   3H8   NAG  34          3H8       NAG  34  -5.386   3.288  -7.488
  264    HN2  NAG  34           HN2      NAG  34  -5.787  -0.013  -6.144
  265    HO3  NAG  34           HO3      NAG  34  -7.397  -0.800  -8.250
  266    HO6  NAG  34           HO6      NAG  34 -13.177  -0.849  -3.216
  267    H1   MAN  35           H1       MAN  35 -10.174  -1.953  -9.200
  268    H2   MAN  35           H2       MAN  35  -9.700  -3.659  -7.475
  269    H3   MAN  35           H3       MAN  35  -9.846  -4.403  -9.744
  270    H4   MAN  35           H4       MAN  35 -12.817  -4.863  -9.274
  271    H5   MAN  35           H5       MAN  35 -11.388  -2.788 -11.008
  272   1H6   MAN  35          1H6       MAN  35 -14.360  -2.886 -10.372
  273   2H6   MAN  35          2H6       MAN  35 -13.706  -3.777 -11.733
  274    HO2  MAN  35           HO2      MAN  35 -12.554  -3.947  -7.394
  275    HO4  MAN  35           HO4      MAN  35 -12.729  -5.437 -11.484
  276    H1   MAN  36           H1       MAN  36 -12.321  -0.537 -10.809
  277    H2   MAN  36           H2       MAN  36 -14.424  -1.004  -9.464
  278    H3   MAN  36           H3       MAN  36 -16.042  -0.959 -11.311
  279    H4   MAN  36           H4       MAN  36 -15.414   2.007 -11.504
  280    H5   MAN  36           H5       MAN  36 -14.790  -0.266 -13.450
  281   1H6   MAN  36          1H6       MAN  36 -14.112   2.699 -13.524
  282   2H6   MAN  36          2H6       MAN  36 -15.283   1.864 -14.584
  283    HO2  MAN  36           HO2      MAN  36 -13.118   0.857  -9.113
  284    HO4  MAN  36           HO4      MAN  36 -17.106   0.261 -13.022
  285    H1   MAN  37           H1       MAN  37  -8.887  -6.453  -9.703
  286    H2   MAN  37           H2       MAN  37 -10.086  -8.524  -8.903
  287    H3   MAN  37           H3       MAN  37 -10.652  -7.792  -6.670
  288    H4   MAN  37           H4       MAN  37  -7.660  -7.890  -6.089
  289    H5   MAN  37           H5       MAN  37  -9.565  -5.511  -6.236
  290   1H6   MAN  37          1H6       MAN  37  -6.551  -5.637  -5.794
  291   2H6   MAN  37          2H6       MAN  37  -7.770  -5.208  -4.569
  292    HO3  MAN  37           HO3      MAN  37 -10.276 -10.054  -7.056
  293    HO4  MAN  37           HO4      MAN  37  -9.924  -7.126  -4.504
  294    HO6  MAN  37           HO6      MAN  37  -6.835  -3.370  -5.562
  295    H1   MAN  38           H1       MAN  38 -13.985   2.803 -16.205
  296    H2   MAN  38           H2       MAN  38 -12.898   0.901 -17.438
  297    H3   MAN  38           H3       MAN  38 -11.069   0.420 -15.928
  298    H4   MAN  38           H4       MAN  38  -9.958   3.159 -16.668
  299    H5   MAN  38           H5       MAN  38 -11.141   2.157 -14.033
  300   1H6   MAN  38          1H6       MAN  38 -10.089   4.903 -14.834
  301   2H6   MAN  38          2H6       MAN  38  -9.299   3.770 -13.709
  302    HO2  MAN  38           HO2      MAN  38 -13.075   3.035 -18.332
  303    HO3  MAN  38           HO3      MAN  38 -10.728   0.074 -18.198
  304    HO4  MAN  38           HO4      MAN  38  -8.418   1.483 -16.208
  305    HO6  MAN  38           HO6      MAN  38 -10.569   5.342 -12.632
  306    H1   MAN  39           H1       MAN  39 -16.069  -0.406  -8.093
  307    H2   MAN  39           H2       MAN  39 -16.544  -2.266  -9.774
  308    H3   MAN  39           H3       MAN  39 -18.550  -1.301 -10.783
  309    H4   MAN  39           H4       MAN  39 -19.888  -1.823  -8.098
  310    H5   MAN  39           H5       MAN  39 -19.189   0.824  -9.458
  311   1H6   MAN  39          1H6       MAN  39 -21.260   0.955  -8.115
  312   2H6   MAN  39          2H6       MAN  39 -19.927   1.871  -7.383
  313    HO2  MAN  39           HO2      MAN  39 -16.535  -2.619  -7.488
  314    HO3  MAN  39           HO3      MAN  39 -18.328  -3.611 -10.700
  315    HO4  MAN  39           HO4      MAN  39 -21.212  -2.033  -9.990
  316    HO6  MAN  39           HO6      MAN  39 -20.803  -0.724  -6.633
  317    H1   MAN  40           H1       MAN  40  -7.160  -7.658 -10.146
  318    H2   MAN  40           H2       MAN  40  -9.414  -8.607 -10.867
  319    H3   MAN  40           H3       MAN  40  -9.273 -10.741  -9.678
  320    H4   MAN  40           H4       MAN  40  -7.058 -11.456 -11.645
  321    H5   MAN  40           H5       MAN  40  -6.892 -10.939  -8.637
  322   1H6   MAN  40          1H6       MAN  40  -4.728 -11.516 -10.708
  323   2H6   MAN  40          2H6       MAN  40  -5.268 -12.624  -9.422
  324    HO2  MAN  40           HO2      MAN  40  -7.741  -8.090 -12.377
  325    HO3  MAN  40           HO3      MAN  40 -10.485 -10.632 -11.655
  326    HO4  MAN  40           HO4      MAN  40  -6.973 -13.340 -10.328
  327    HO6  MAN  40           HO6      MAN  40  -4.609 -11.030  -7.910
  328   1HN   NH2  41          1HN       NH2  41  17.171 -15.024  -3.202
  329   2HN   NH2  41          2HN       NH2  41  16.484 -16.419  -2.400
  Start of MODEL   10
    1   1H    CYS   1          1H        CYS   1  -4.436   6.265  -2.516
    2   2H    CYS   1          2H        CYS   1  -4.141   7.859  -2.215
    3   3H    CYS   1          3H        CYS   1  -2.916   6.873  -2.713
    4    HA   CYS   1           HA       CYS   1  -3.040   5.593  -0.755
    5   1HB   CYS   1          1HB       CYS   1  -1.473   7.435  -0.827
    6   2HB   CYS   1          2HB       CYS   1  -2.709   8.580  -0.325
    7    H    SER   2           H        SER   2  -4.729   8.634   0.105
    8    HA   SER   2           HA       SER   2  -6.471   9.110   1.419
    9   1HB   SER   2          1HB       SER   2  -7.657   6.628   0.099
   10   2HB   SER   2          2HB       SER   2  -8.565   7.865   0.994
   11    HG   SER   2           HG       SER   2  -8.521   8.229  -1.258
   12    H    ASN   3           H        ASN   3  -7.591   5.875   1.961
   13    HA   ASN   3           HA       ASN   3  -7.288   6.041   4.787
   14   1HB   ASN   3          1HB       ASN   3  -8.062   3.674   4.736
   15   2HB   ASN   3          2HB       ASN   3  -9.095   4.774   3.815
   16   1HD2  ASN   3          1HD2      ASN   3  -9.169   4.645   1.560
   17    H    LEU   4           H        LEU   4  -5.874   5.063   6.175
   18    HA   LEU   4           HA       LEU   4  -3.256   4.203   5.118
   19   1HB   LEU   4          1HB       LEU   4  -2.553   4.302   7.456
   20   2HB   LEU   4          2HB       LEU   4  -3.133   5.836   6.831
   21    HG   LEU   4           HG       LEU   4  -5.232   4.214   8.212
   22   1HD1  LEU   4          1HD1      LEU   4  -2.899   5.405   9.767
   23   2HD1  LEU   4          2HD1      LEU   4  -4.411   4.784  10.465
   24   3HD1  LEU   4          3HD1      LEU   4  -3.302   3.678   9.637
   25   1HD2  LEU   4          1HD2      LEU   4  -5.585   6.581   7.434
   26   2HD2  LEU   4          2HD2      LEU   4  -5.793   6.392   9.182
   27   3HD2  LEU   4          3HD2      LEU   4  -4.301   7.103   8.538
   28    H    SER   5           H        SER   5  -4.819   2.399   4.214
   29    HA   SER   5           HA       SER   5  -4.284  -0.003   5.869
   30   1HB   SER   5          1HB       SER   5  -6.659   0.503   6.224
   31   2HB   SER   5          2HB       SER   5  -6.936   0.577   4.475
   32    HG   SER   5           HG       SER   5  -7.445  -1.463   5.362
   33    H    THR   6           H        THR   6  -5.670   0.999   2.680
   34    HA   THR   6           HA       THR   6  -4.202  -0.956   1.153
   35    HB   THR   6           HB       THR   6  -4.829   0.461  -0.768
   36    HG1  THR   6           HG1      THR   6  -5.923   2.193   1.187
   37   1HG2  THR   6          1HG2      THR   6  -6.481  -1.163   0.143
   38   2HG2  THR   6          2HG2      THR   6  -7.155   0.111   1.180
   39   3HG2  THR   6          3HG2      THR   6  -7.256   0.254  -0.585
   40    H    CYS   7           H        CYS   7  -3.697   2.463   2.051
   41    HA   CYS   7           HA       CYS   7  -1.403   2.900   0.457
   42   1HB   CYS   7          1HB       CYS   7  -2.982   4.589   1.340
   43   2HB   CYS   7          2HB       CYS   7  -2.309   4.368   2.954
   44    H    VAL   8           H        VAL   8  -1.738   2.067   3.965
   45    HA   VAL   8           HA       VAL   8   1.054   2.294   4.473
   46    HB   VAL   8           HB       VAL   8  -0.786   2.494   6.151
   47   1HG1  VAL   8          1HG1      VAL   8  -2.029   0.419   5.564
   48   2HG1  VAL   8          2HG1      VAL   8  -0.716  -0.548   6.271
   49   3HG1  VAL   8          3HG1      VAL   8  -1.650   0.559   7.288
   50   1HG2  VAL   8          1HG2      VAL   8   1.596   2.337   6.786
   51   2HG2  VAL   8          2HG2      VAL   8   0.549   1.559   7.985
   52   3HG2  VAL   8          3HG2      VAL   8   1.472   0.566   6.840
   53    H    LEU   9           H        LEU   9  -1.026  -0.543   3.716
   54    HA   LEU   9           HA       LEU   9   1.037  -2.513   3.854
   55   1HB   LEU   9          1HB       LEU   9  -1.556  -2.379   2.278
   56   2HB   LEU   9          2HB       LEU   9  -0.524  -3.810   2.336
   57    HG   LEU   9           HG       LEU   9  -1.777  -2.541   4.813
   58   1HD1  LEU   9          1HD1      LEU   9  -3.490  -3.444   3.240
   59   2HD1  LEU   9          2HD1      LEU   9  -2.633  -4.998   3.220
   60   3HD1  LEU   9          3HD1      LEU   9  -3.375  -4.407   4.723
   61   1HD2  LEU   9          1HD2      LEU   9  -0.342  -5.197   4.370
   62   2HD2  LEU   9          2HD2      LEU   9   0.204  -3.853   5.398
   63   3HD2  LEU   9          3HD2      LEU   9  -1.243  -4.759   5.835
   64    H    GLY  10           H        GLY  10  -0.171  -0.467   1.165
   65   1HA   GLY  10          1HA       GLY  10   1.422  -1.490  -0.921
   66   2HA   GLY  10          2HA       GLY  10   0.779   0.157  -0.798
   67    H    LYS  11           H        LYS  11   2.077   1.129   1.457
   68    HA   LYS  11           HA       LYS  11   4.528   2.001   0.374
   69   1HB   LYS  11          1HB       LYS  11   3.164   3.319   1.921
   70   2HB   LYS  11          2HB       LYS  11   3.491   2.173   3.233
   71   1HG   LYS  11          1HG       LYS  11   5.914   2.689   3.078
   72   2HG   LYS  11          2HG       LYS  11   5.588   3.816   1.745
   73   1HD   LYS  11          1HD       LYS  11   4.146   5.163   3.262
   74   2HD   LYS  11          2HD       LYS  11   4.512   4.051   4.595
   75   1HE   LYS  11          1HE       LYS  11   6.563   5.724   3.067
   76   2HE   LYS  11          2HE       LYS  11   5.893   6.118   4.660
   77   1HZ   LYS  11          1HZ       LYS  11   6.831   4.087   5.491
   78   2HZ   LYS  11          2HZ       LYS  11   7.491   3.745   4.018
   79   3HZ   LYS  11          3HZ       LYS  11   7.995   5.068   4.859
   80    H    LEU  12           H        LEU  12   3.945  -0.199   3.212
   81    HA   LEU  12           HA       LEU  12   6.727  -0.675   3.570
   82   1HB   LEU  12          1HB       LEU  12   6.144  -2.266   5.234
   83   2HB   LEU  12          2HB       LEU  12   5.139  -0.827   5.349
   84    HG   LEU  12           HG       LEU  12   3.418  -2.300   3.936
   85   1HD1  LEU  12          1HD2      LEU  12   4.921  -4.310   3.705
   86   2HD1  LEU  12          2HD2      LEU  12   5.011  -4.412   5.470
   87   3HD1  LEU  12          3HD2      LEU  12   3.466  -4.667   4.637
   88   1HD2  LEU  12          1HD1      LEU  12   3.941  -2.661   6.915
   89   2HD2  LEU  12          2HD1      LEU  12   3.011  -1.344   6.171
   90   3HD2  LEU  12          3HD1      LEU  12   2.410  -3.007   6.084
   91    H    SER  13           H        SER  13   4.273  -2.387   1.619
   92    HA   SER  13           HA       SER  13   5.838  -4.690   1.024
   93   1HB   SER  13          1HB       SER  13   3.437  -4.586   0.595
   94   2HB   SER  13          2HB       SER  13   3.672  -3.298  -0.608
   95    HG   SER  13           HG       SER  13   4.751  -5.922  -0.721
   96    H    GLN  14           H        GLN  14   5.413  -1.581  -0.733
   97    HA   GLN  14           HA       GLN  14   7.225  -2.019  -2.841
   98   1HB   GLN  14          1HB       GLN  14   5.583  -0.277  -2.856
   99   2HB   GLN  14          2HB       GLN  14   6.272   0.513  -1.441
  100   1HG   GLN  14          1HG       GLN  14   7.769   0.164  -4.078
  101   2HG   GLN  14          2HG       GLN  14   6.747   1.560  -3.720
  102   1HE2  GLN  14          2HE2      GLN  14   7.260   2.456  -1.293
  103   2HE2  GLN  14          1HE2      GLN  14   8.958   2.813  -1.063
  104    H    GLU  15           H        GLU  15   7.748  -0.525   0.383
  105    HA   GLU  15           HA       GLU  15  10.419   0.250   0.020
  106   1HB   GLU  15          1HB       GLU  15   8.903   1.070   1.770
  107   2HB   GLU  15          2HB       GLU  15   8.938  -0.511   2.571
  108   1HG   GLU  15          1HG       GLU  15  11.362  -0.262   2.977
  109   2HG   GLU  15          2HG       GLU  15  11.360   1.284   2.111
  110    H    LEU  16           H        LEU  16   9.124  -2.704   1.639
  111    HA   LEU  16           HA       LEU  16  11.629  -3.920   2.167
  112   1HB   LEU  16          1HB       LEU  16   8.844  -5.064   1.781
  113   2HB   LEU  16          2HB       LEU  16  10.218  -6.031   2.325
  114    HG   LEU  16           HG       LEU  16   9.285  -3.540   3.820
  115   1HD1  LEU  16          1HD1      LEU  16   7.462  -5.217   3.730
  116   2HD1  LEU  16          2HD1      LEU  16   8.579  -6.461   4.328
  117   3HD1  LEU  16          3HD1      LEU  16   8.143  -5.081   5.360
  118   1HD2  LEU  16          1HD2      LEU  16  11.067  -5.885   4.616
  119   2HD2  LEU  16          2HD2      LEU  16  11.592  -4.206   4.363
  120   3HD2  LEU  16          3HD2      LEU  16  10.513  -4.597   5.703
  121    H    HIS  17           H        HIS  17   9.477  -4.124  -0.698
  122    HA   HIS  17           HA       HIS  17  10.992  -6.147  -2.040
  123   1HB   HIS  17          1HB       HIS  17   8.663  -5.659  -2.584
  124   2HB   HIS  17          2HB       HIS  17   9.093  -4.020  -3.096
  125    HD1  HIS  17           HD1      HIS  17  10.291  -7.573  -3.999
  126    HD2  HIS  17           HD2      HIS  17   9.355  -3.913  -5.815
  127    HE1  HIS  17           HE1      HIS  17  10.631  -7.859  -6.502
  128    H    LYS  18           H        LYS  18  11.275  -2.589  -1.895
  129    HA   LYS  18           HA       LYS  18  13.055  -2.330  -4.117
  130   1HB   LYS  18          1HB       LYS  18  11.702  -0.495  -3.292
  131   2HB   LYS  18          2HB       LYS  18  12.554  -0.498  -1.739
  132   1HG   LYS  18          1HG       LYS  18  14.660   0.096  -2.868
  133   2HG   LYS  18          2HG       LYS  18  13.850   0.026  -4.448
  134   1HD   LYS  18          1HD       LYS  18  12.325   1.843  -3.758
  135   2HD   LYS  18          2HD       LYS  18  13.108   1.923  -2.169
  136   1HE   LYS  18          1HE       LYS  18  14.490   2.441  -4.844
  137   2HE   LYS  18          2HE       LYS  18  13.884   3.693  -3.746
  138   1HZ   LYS  18          1HZ       LYS  18  15.383   2.884  -2.081
  139   2HZ   LYS  18          2HZ       LYS  18  15.976   1.741  -3.112
  140   3HZ   LYS  18          3HZ       LYS  18  16.196   3.341  -3.440
  141    H    LEU  19           H        LEU  19  13.696  -2.210  -0.544
  142    HA   LEU  19           HA       LEU  19  16.533  -2.255  -0.920
  143   1HB   LEU  19          1HB       LEU  19  16.708  -2.415   1.475
  144   2HB   LEU  19          2HB       LEU  19  15.564  -1.191   0.950
  145    HG   LEU  19           HG       LEU  19  13.828  -3.264   1.371
  146   1HD1  LEU  19          1HD1      LEU  19  15.720  -4.725   2.274
  147   2HD1  LEU  19          2HD1      LEU  19  15.937  -3.526   3.557
  148   3HD1  LEU  19          3HD1      LEU  19  14.411  -4.420   3.428
  149   1HD2  LEU  19          1HD2      LEU  19  13.637  -0.963   2.250
  150   2HD2  LEU  19          2HD2      LEU  19  13.298  -2.170   3.503
  151   3HD2  LEU  19          3HD2      LEU  19  14.863  -1.328   3.479
  152    H    GLN  20           H        GLN  20  14.239  -4.803   0.118
  153    HA   GLN  20           HA       GLN  20  14.294  -7.014   0.178
  154   1HB   GLN  20          1HB       GLN  20  14.094  -6.541  -2.187
  155   2HB   GLN  20          2HB       GLN  20  15.842  -6.645  -2.416
  156   1HG   GLN  20          1HG       GLN  20  15.765  -9.041  -1.720
  157   2HG   GLN  20          2HG       GLN  20  14.033  -8.883  -1.386
  158   1HE2  GLN  20          2HE2      GLN  20  16.477  -8.558  -4.011
  159   2HE2  GLN  20          1HE2      GLN  20  15.397  -9.017  -5.309
  160    H    THR  21           H        THR  21  17.514  -6.979  -1.315
  161    HA   THR  21           HA       THR  21  18.631  -8.796   0.586
  162    HB   THR  21           HB       THR  21  19.353  -8.603  -1.763
  163    HG1  THR  21           HG1      THR  21  21.565  -8.738  -1.267
  164   1HG2  THR  21          1HG2      THR  21  19.314  -6.114  -2.022
  165   2HG2  THR  21          2HG2      THR  21  20.711  -5.994  -0.929
  166   3HG2  THR  21          3HG2      THR  21  20.866  -6.826  -2.484
  167    H    TYR  22           H        TYR  22  18.264  -5.329   0.556
  168    HA   TYR  22           HA       TYR  22  18.767  -3.686   1.940
  169   1HB   TYR  22          1HB       TYR  22  17.837  -4.972   3.713
  170   2HB   TYR  22          2HB       TYR  22  19.317  -5.888   3.938
  171    HD1  TYR  22           HD1      TYR  22  20.690  -5.273   5.724
  172    HD2  TYR  22           HD2      TYR  22  18.288  -2.246   3.803
  173    HE1  TYR  22           HE1      TYR  22  21.726  -3.542   7.151
  174    HE2  TYR  22           HE2      TYR  22  19.347  -0.514   5.220
  175    HH   TYR  22           HH       TYR  22  21.895  -1.299   7.619
  176    HA   PRO  23           HA       PRO  23  23.265  -3.493   0.957
  177   1HB   PRO  23          1HB       PRO  23  22.219  -0.702   0.465
  178   2HB   PRO  23          2HB       PRO  23  23.450  -1.614  -0.450
  179   1HG   PRO  23          1HG       PRO  23  20.936  -1.357  -1.434
  180   2HG   PRO  23          2HG       PRO  23  21.755  -2.948  -1.503
  181   1HD   PRO  23          1HD       PRO  23  19.748  -1.986   0.558
  182   2HD   PRO  23          2HD       PRO  23  19.766  -3.523  -0.359
  183    H    ARG  24           H        ARG  24  24.470  -3.208   2.805
  184    HA   ARG  24           HA       ARG  24  23.299  -2.228   5.189
  185   1HB   ARG  24          1HB       ARG  24  25.448  -2.620   6.220
  186   2HB   ARG  24          2HB       ARG  24  24.990  -3.972   5.175
  187   1HG   ARG  24          1HG       ARG  24  26.526  -3.130   3.404
  188   2HG   ARG  24          2HG       ARG  24  26.957  -1.760   4.445
  189   1HD   ARG  24          1HD       ARG  24  27.782  -3.338   6.168
  190   2HD   ARG  24          2HD       ARG  24  27.458  -4.691   5.061
  191    HE   ARG  24           HE       ARG  24  29.011  -2.926   3.593
  192   1HH1  ARG  24          1HH2      ARG  24  29.448  -4.679   6.660
  193   2HH1  ARG  24          2HH2      ARG  24  31.190  -4.703   6.523
  194   1HH2  ARG  24          1HH1      ARG  24  31.281  -2.976   3.447
  195   2HH2  ARG  24          2HH1      ARG  24  32.230  -3.742   4.700
  196    H    THR  25           H        THR  25  23.497  -0.348   6.332
  197    HA   THR  25           HA       THR  25  24.407   2.041   4.846
  198    HB   THR  25           HB       THR  25  23.222   3.241   6.673
  199    HG1  THR  25           HG1      THR  25  22.361   0.643   7.422
  200   1HG2  THR  25          1HG2      THR  25  22.081   2.711   4.557
  201   2HG2  THR  25          2HG2      THR  25  21.570   1.138   5.203
  202   3HG2  THR  25          3HG2      THR  25  20.957   2.637   5.928
  203    H    ASP  26           H        ASP  26  26.683   1.447   5.017
  204    HA   ASP  26           HA       ASP  26  28.044   1.300   7.531
  205   1HB   ASP  26          1HB       ASP  26  29.054   2.130   4.778
  206   2HB   ASP  26          2HB       ASP  26  30.073   1.731   6.168
  207    H    VAL  27           H        VAL  27  29.145   2.858   8.699
  208    HA   VAL  27           HA       VAL  27  28.084   5.544   8.642
  209    HB   VAL  27           HB       VAL  27  30.320   4.255  10.261
  210   1HG1  VAL  27          1HG1      VAL  27  28.932   6.953  10.612
  211   2HG1  VAL  27          2HG1      VAL  27  30.031   6.202  11.789
  212   3HG1  VAL  27          3HG1      VAL  27  30.645   6.704  10.211
  213   1HG2  VAL  27          1HG2      VAL  27  27.416   4.890  10.945
  214   2HG2  VAL  27          2HG2      VAL  27  28.099   3.268  10.698
  215   3HG2  VAL  27          3HG2      VAL  27  28.632   4.248  12.070
  216    H    GLY  28           H        GLY  28  31.446   4.265   8.297
  217   1HA   GLY  28          1HA       GLY  28  33.229   4.981   7.076
  218   2HA   GLY  28          2HA       GLY  28  32.118   5.855   6.009
  219    H    ALA  29           H        ALA  29  32.106   8.052   6.154
  220    HA   ALA  29           HA       ALA  29  32.496  10.166   6.772
  221   1HB   ALA  29          1HB       ALA  29  30.874   9.459   8.535
  222   2HB   ALA  29          2HB       ALA  29  32.234   9.155   9.634
  223   3HB   ALA  29          3HB       ALA  29  31.918  10.794   9.036
  224    H    GLY  30           H        GLY  30  33.836  11.511   8.736
  225   1HA   GLY  30          1HA       GLY  30  36.609  11.196   8.084
  226   2HA   GLY  30          2HA       GLY  30  35.915  12.233   9.344
  227    H    THR  31           H        THR  31  34.932  10.917  11.260
  228    HA   THR  31           HA       THR  31  36.906   9.124  12.403
  229    HB   THR  31           HB       THR  31  35.234   8.975  14.249
  230    HG1  THR  31           HG1      THR  31  33.400   9.406  12.898
  231   1HG2  THR  31          1HG2      THR  31  37.018  10.695  14.253
  232   2HG2  THR  31          2HG2      THR  31  35.952  11.808  13.366
  233   3HG2  THR  31          3HG2      THR  31  35.527  11.289  15.009
  234    HA   PRO  32           HA       PRO  32  35.238   5.563  10.166
  235   1HB   PRO  32          1HB       PRO  32  36.329   4.176  12.631
  236   2HB   PRO  32          2HB       PRO  32  36.396   3.637  10.926
  237   1HG   PRO  32          1HG       PRO  32  38.537   4.872  12.011
  238   2HG   PRO  32          2HG       PRO  32  37.970   5.375  10.389
  239   1HD   PRO  32          1HD       PRO  32  37.466   6.736  13.044
  240   2HD   PRO  32          2HD       PRO  32  37.909   7.435  11.456
  241    H1   NAG  33           H1       NAG  33  -8.127   2.128   0.355
  242    H2   NAG  33           H2       NAG  33 -10.189   4.175  -0.562
  243    H3   NAG  33           H3       NAG  33  -9.403   1.518  -1.819
  244    H4   NAG  33           H4       NAG  33  -9.023   4.412  -2.669
  245    H5   NAG  33           H5       NAG  33  -7.009   2.299  -1.792
  246   1H6   NAG  33          1H6       NAG  33  -5.369   4.172  -1.917
  247   2H6   NAG  33          2H6       NAG  33  -6.585   5.163  -2.755
  248   1H8   NAG  33          1H8       NAG  33 -11.989   1.142   2.439
  249   2H8   NAG  33          2H8       NAG  33 -12.877   0.711   0.958
  250   3H8   NAG  33          3H8       NAG  33 -11.789  -0.470   1.719
  251    HN2  NAG  33           HN2      NAG  33 -11.644   2.944   0.635
  252    HO3  NAG  33           HO3      NAG  33 -11.261   3.559  -2.612
  253    HO6  NAG  33           HO6      NAG  33  -5.140   4.088  -4.182
  254    H1   NAG  34           H1       NAG  34  -9.370   1.023  -3.881
  255    H2   NAG  34           H2       NAG  34  -7.759   1.952  -6.308
  256    H3   NAG  34           H3       NAG  34  -9.331  -0.627  -5.883
  257    H4   NAG  34           H4       NAG  34  -6.350  -0.070  -6.114
  258    H5   NAG  34           H5       NAG  34  -8.060  -0.924  -3.730
  259   1H6   NAG  34          1H6       NAG  34  -5.820  -2.013  -3.724
  260   2H6   NAG  34          2H6       NAG  34  -6.015  -0.826  -2.425
  261   1H8   NAG  34          1H8       NAG  34 -12.124   3.473  -6.508
  262   2H8   NAG  34          2H8       NAG  34 -12.134   2.294  -7.841
  263   3H8   NAG  34          3H8       NAG  34 -13.175   2.043  -6.423
  264    HN2  NAG  34           HN2      NAG  34  -9.720   2.747  -7.080
  265    HO3  NAG  34           HO3      NAG  34  -7.674   0.287  -8.040
  266    HO6  NAG  34           HO6      NAG  34  -4.691  -0.391  -4.898
  267    H1   MAN  35           H1       MAN  35  -5.046  -2.096  -6.200
  268    H2   MAN  35           H2       MAN  35  -5.895  -4.410  -5.826
  269    H3   MAN  35           H3       MAN  35  -3.826  -4.181  -6.994
  270    H4   MAN  35           H4       MAN  35  -5.343  -4.001  -9.607
  271    H5   MAN  35           H5       MAN  35  -3.984  -1.618  -8.280
  272   1H6   MAN  35          1H6       MAN  35  -5.136  -0.380 -10.086
  273   2H6   MAN  35          2H6       MAN  35  -5.957  -1.881 -10.579
  274    HO2  MAN  35           HO2      MAN  35  -7.168  -3.997  -8.360
  275    HO4  MAN  35           HO4      MAN  35  -2.627  -3.488  -8.852
  276    H1   MAN  36           H1       MAN  36  -4.541  -0.529 -12.505
  277    H2   MAN  36           H2       MAN  36  -6.007  -2.577 -12.541
  278    H3   MAN  36           H3       MAN  36  -4.262  -4.088 -11.698
  279    H4   MAN  36           H4       MAN  36  -3.055  -3.842 -14.472
  280    H5   MAN  36           H5       MAN  36  -2.021  -2.996 -11.719
  281   1H6   MAN  36          1H6       MAN  36  -0.234  -1.865 -13.058
  282   2H6   MAN  36          2H6       MAN  36  -0.809  -2.772 -14.490
  283    HO2  MAN  36           HO2      MAN  36  -5.546  -1.445 -14.511
  284    HO4  MAN  36           HO4      MAN  36  -2.935  -5.938 -13.465
  285    H1   MAN  37           H1       MAN  37  -2.730  -5.848  -8.224
  286    H2   MAN  37           H2       MAN  37  -3.963  -7.146  -9.955
  287    H3   MAN  37           H3       MAN  37  -5.650  -8.190  -8.581
  288    H4   MAN  37           H4       MAN  37  -3.371  -9.728  -7.266
  289    H5   MAN  37           H5       MAN  37  -5.201  -7.552  -6.139
  290   1H6   MAN  37          1H6       MAN  37  -2.848  -9.036  -4.887
  291   2H6   MAN  37          2H6       MAN  37  -4.563  -9.249  -4.455
  292    HO3  MAN  37           HO3      MAN  37  -5.345 -10.367  -9.303
  293    HO4  MAN  37           HO4      MAN  37  -5.395 -10.841  -7.467
  294    HO6  MAN  37           HO6      MAN  37  -3.477  -7.787  -3.067
  295    H1   MAN  38           H1       MAN  38   1.396  -3.332 -14.338
  296    H2   MAN  38           H2       MAN  38   0.875  -5.777 -14.560
  297    H3   MAN  38           H3       MAN  38   0.538  -6.305 -12.212
  298    H4   MAN  38           H4       MAN  38   3.522  -5.802 -11.861
  299    H5   MAN  38           H5       MAN  38   1.126  -4.215 -10.816
  300   1H6   MAN  38          1H6       MAN  38   4.122  -3.705 -10.598
  301   2H6   MAN  38          2H6       MAN  38   3.041  -4.189  -9.268
  302    HO2  MAN  38           HO2      MAN  38   3.560  -5.120 -13.795
  303    HO3  MAN  38           HO3      MAN  38   2.852  -7.631 -13.259
  304    HO4  MAN  38           HO4      MAN  38   2.980  -6.199  -9.664
  305    HO6  MAN  38           HO6      MAN  38   3.380  -1.928  -9.349
  306    H1   MAN  39           H1       MAN  39  -4.533  -6.322 -11.863
  307    H2   MAN  39           H2       MAN  39  -5.409  -7.552 -13.869
  308    H3   MAN  39           H3       MAN  39  -7.344  -6.185 -14.370
  309    H4   MAN  39           H4       MAN  39  -8.513  -7.143 -11.723
  310    H5   MAN  39           H5       MAN  39  -7.515  -4.377 -12.560
  311   1H6   MAN  39          1H6       MAN  39  -7.848  -3.793 -10.181
  312   2H6   MAN  39          2H6       MAN  39  -8.640  -5.363  -9.903
  313    HO2  MAN  39           HO2      MAN  39  -5.242  -8.499 -11.747
  314    HO3  MAN  39           HO3      MAN  39  -8.914  -7.885 -14.485
  315    HO4  MAN  39           HO4      MAN  39 -10.008  -6.760 -13.450
  316    HO6  MAN  39           HO6      MAN  39  -9.476  -3.334 -11.715
  317    H1   MAN  40           H1       MAN  40  -1.632  -6.720 -10.435
  318    H2   MAN  40           H2       MAN  40  -3.231  -8.274 -11.656
  319    H3   MAN  40           H3       MAN  40  -2.481 -10.386 -10.703
  320    H4   MAN  40           H4       MAN  40   0.126  -9.910 -12.205
  321    H5   MAN  40           H5       MAN  40  -0.460  -9.928  -9.205
  322   1H6   MAN  40          1H6       MAN  40   2.122  -9.379 -10.732
  323   2H6   MAN  40          2H6       MAN  40   1.782 -10.812  -9.732
  324    HO2  MAN  40           HO2      MAN  40  -1.873  -8.338 -13.533
  325    HO3  MAN  40           HO3      MAN  40  -2.219 -11.528 -12.705
  326    HO4  MAN  40           HO4      MAN  40   0.699 -11.861 -11.129
  327    HO6  MAN  40           HO6      MAN  40   1.507  -9.387  -7.957
  328   1HN   NH2  41          1HN       NH2  41  33.095   5.018  10.094
  329   2HN   NH2  41          2HN       NH2  41  32.073   4.718  11.483