*HEADER    VIRUS/VIRAL PROTEIN                     27-OCT-05   2ESZ              
*TITLE     THE STRUCTURE OF THE V3 REGION WITHIN GP120 OF JR-FL HIV-1            
*TITLE    2 STRAIN (ENSEMBLE)                                                    
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: ENVELOPE POLYPROTEIN GP160;                                
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: V3 OF GP120;                                               
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS TYPE 1;            
*SOURCE   3 STRAIN: JR-FL;                                                       
*SOURCE   4 GENE: ENV;                                                           
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   7 EXPRESSION_SYSTEM_STRAIN: BL21-GOLD(DE3)PLYSS;                       
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: PM104;                                
*SOURCE   9 EXPRESSION_SYSTEM_PLASMID: PM4-V3JRFL                                
*KEYWDS    HIV-1, JR-FL, V3, 447-52D, ANTIBODY, BETA-HAIRPIN                     
*EXPDTA    NMR, 30 STRUCTURES                                                    
*AUTHOR    O.ROSEN, M.SHARON, A.O.SAMSON, S.R.QUADT, J.ANGLISTER                 
*REVDAT   2   07-NOV-06 2ESZ    1    UPDATED CONSTRAINT FILE                                               
*REVDAT   1   19-SEP-06 2ESZ    0                                                
assign (resid 2 and name HA) (resid 2 and name HB2) 3.989 2.189 0.7978 ! noe13C.3321
assign (resid 2 and name HA) (resid 4 and name HB1) 4.492 2.692 0.8984 ! noe13C.3135
assign (resid 2 and name HA) (resid 4 and name HD1) 4.906 3.106 0.9812 ! noe13C.3144
assign (resid 2 and name HA) (resid 4 and name HD2) 4.755 2.955 0.951 ! noe13C.3147
assign (resid 2 and name HA) (resid 3 and name HN) 2.969 1.169 0.5938 ! noe15N.229
assign (resid 3 and name HA) (resid 3 and name HB) 2.735 0.935 0.547 ! noe13C.3318
assign (resid 3 and name HG2#) (resid 3 and name HA) 3.508 1.708 0.7016 ! noe13C.1524
assign (resid 3 and name HG2#) (resid 3 and name HB) 3.415 1.615 0.683 ! noe13C.1549
assign (resid 3 and name HG2#) (resid 21 and name HD1#) 4.303 2.503 0.8606 ! noe13C.1449
assign (resid 3 and name HB) (resid 3 and name HN) 5.169 3.369 1.0338 ! noe15N.415
assign (resid 3 and name HG2#) (resid 3 and name HN) 5.343 3.543 1.0686 ! noe15N.417
assign (resid 3 and name HA) (resid 22 and name HN) 6.000 4.2 1.2 ! noe15N.411
assign (resid 4 and name HD2) (resid 2 and name HB2) 3.992 2.192 0.7984 ! noe13C.3320
assign (resid 4 and name HA) (resid 4 and name HB1) 3.358 1.558 0.6716 ! noe13C.284
assign (resid 4 and name HB1) (resid 4 and name HA) 2.973 1.173 0.5946 ! noe13C.1025
assign (resid 4 and name HA) (resid 4 and name HB2) 3.370 1.57 0.674 ! noe13C.283
assign (resid 4 and name HB2) (resid 4 and name HB1) 2.736 0.936 0.5472 ! noe13C.1013
assign (resid 4 and name HB1) (resid 4 and name HB2) 2.644 0.844 0.5288 ! noe13C.1031
assign (resid 4 and name HD1) (resid 4 and name HA) 3.935 2.135 0.787 ! noe13C.3097
assign (resid 4 and name HA) (resid 4 and name HD1) 4.027 2.227 0.8054 ! noe13C.3143
assign (resid 4 and name HB1) (resid 4 and name HD1) 3.301 1.501 0.6602 ! noe13C.1026
assign (resid 4 and name HD1) (resid 4 and name HB1) 4.100 2.3 0.82 ! noe13C.3139
assign (resid 4 and name HD1) (resid 4 and name HB2) 3.703 1.903 0.7406 ! noe13C.3138
assign (resid 4 and name HD2) (resid 4 and name HA) 4.027 2.227 0.8054 ! noe13C.3096
assign (resid 4 and name HA) (resid 4 and name HD2) 4.054 2.254 0.8108 ! noe13C.3145
assign (resid 4 and name HD2) (resid 4 and name HB1) 3.859 2.059 0.7718 ! noe13C.3136
assign (resid 4 and name HD2) (resid 4 and name HB2) 3.707 1.907 0.7414 ! noe13C.3137
assign (resid 4 and name HB2) (resid 4 and name HD2) 3.365 1.565 0.673 ! noe13C.3141
assign (resid 4 and name HD1) (resid 4 and name HD2) 2.573 0.773 0.5146 ! noe13C.708
assign (resid 4 and name HD2) (resid 4 and name HD1) 2.541 0.741 0.5082 ! noe13C.719
assign (resid 4 and name HG1) (resid 4 and name HB2) 2.849 1.049 0.5698 ! noe13C.1061
assign (resid 4 and name HG1) (resid 4 and name HD1) 3.010 1.21 0.602 ! noe13C.1077
assign (resid 4 and name HG1) (resid 4 and name HD2) 3.002 1.202 0.6004 ! noe13C.1063
assign (resid 4 and name HB1) (resid 20 and name HB1) 3.812 2.012 0.7624 ! noe13C.3128
assign (resid 4 and name HB2) (resid 20 and name HB2) 5.499 2.699 1.0998 ! noe13C.3126
assign (resid 4 and name HB2) (resid 20 and name HG1) 4.505 2.705 0.901 ! noe13C.3123
assign (resid 4 and name HA) (resid 4 and name HG1) 3.264 1.464 0.6528 ! noe13Conly.43
assign (resid 4 and name HD1) (resid 4 and name HG1) 3.315 1.515 0.663 ! noe13Conly.75
or (resid 4 and name HD1) (resid 21 and name HG11)
or (resid 4 and name HD1) (resid 22 and name HG11)
assign (resid 4 and name HD2) (resid 4 and name HG1) 3.348 1.548 0.6696 ! noe13Conly.82
or (resid 4 and name HD2) (resid 21 and name HG11)
or (resid 4 and name HD2) (resid 22 and name HG11)
assign (resid 4 and name HA) (resid 4 and name HN) 2.430 0.63 0.486 ! noe15N.76
assign (resid 4 and name HD1) (resid 4 and name HN) 4.536 2.736 0.9072 ! noe15N.398
assign (resid 4 and name HD2) (resid 4 and name HN) 4.469 2.669 0.8938 ! noe15N.399
assign (resid 5 and name HA) (resid 5 and name HB1) 3.082 1.282 0.6164 ! noe13C.282
assign (resid 5 and name HA) (resid 5 and name HE1) 3.932 2.132 0.7864 ! noe13C.3312
assign (resid 5 and name HE1) (resid 5 and name HB1) 4.346 2.546 0.8692 ! noe13C.3281
assign (resid 5 and name HE1) (resid 5 and name HD1) 2.789 0.989 0.5578 ! noe13C.801
assign (resid 5 and name HD1) (resid 5 and name HE1) 2.460 0.66 0.492 ! noe13C.1008
assign (resid 5 and name HA) (resid 5 and name HG1) 3.578 1.778 0.7156 ! noe13C.278
assign (resid 5 and name HA) (resid 5 and name HG1) 3.629 1.829 0.7258 ! noe13C.3299
assign (resid 5 and name HB1) (resid 5 and name HG1) 2.906 1.106 0.5812 ! noe13C.982
assign (resid 5 and name HG1) (resid 5 and name HB1) 2.875 1.075 0.575 ! noe13C.1065
assign (resid 5 and name HB1) (resid 5 and name HG1) 2.919 1.119 0.5838 ! noe13C.3290
assign (resid 5 and name HD1) (resid 5 and name HG1) 2.741 0.941 0.5482 ! noe13C.1018
assign (resid 5 and name HG1) (resid 5 and name HD1) 2.561 0.761 0.5122 ! noe13C.1066
assign (resid 5 and name HD1) (resid 5 and name HG1) 2.799 0.999 0.5598 ! noe13C.3289
assign (resid 5 and name HE1) (resid 5 and name HG1) 3.529 1.729 0.7058 ! noe13C.816
assign (resid 5 and name HG1) (resid 5 and name HE1) 2.925 1.125 0.585 ! noe13C.1064
assign (resid 5 and name HE1) (resid 5 and name HG1) 3.541 1.741 0.7082 ! noe13C.3297
assign (resid 5 and name HA) (resid 5 and name HG2) 3.645 1.845 0.729 ! noe13C.289
assign (resid 5 and name HG2) (resid 5 and name HA) 3.554 1.754 0.7108 ! noe13C.1163
assign (resid 5 and name HA) (resid 5 and name HG2) 3.655 1.855 0.731 ! noe13C.3300
assign (resid 5 and name HB1) (resid 5 and name HG2) 2.963 1.163 0.5926 ! noe13C.983
assign (resid 5 and name HG2) (resid 5 and name HB1) 3.209 1.409 0.6418 ! noe13C.1165
assign (resid 5 and name HB1) (resid 5 and name HG2) 2.977 1.177 0.5954 ! noe13C.3294
assign (resid 5 and name HD1) (resid 5 and name HG2) 2.778 0.978 0.5556 ! noe13C.1019
assign (resid 5 and name HG2) (resid 5 and name HD1) 2.598 0.798 0.5196 ! noe13C.1148
assign (resid 5 and name HE1) (resid 5 and name HG2) 3.543 1.743 0.7086 ! noe13C.810
assign (resid 5 and name HG2) (resid 5 and name HE1) 3.014 1.214 0.6028 ! noe13C.1164
assign (resid 5 and name HE1) (resid 5 and name HG2) 3.544 1.744 0.7088 ! noe13C.3298
assign (resid 5 and name HG1) (resid 5 and name HG2) 2.657 0.857 0.5314 ! noe13C.1083
assign (resid 5 and name HG2) (resid 5 and name HG1) 2.710 0.91 0.542 ! noe13C.1169
assign (resid 5 and name HG2) (resid 5 and name HG1) 2.718 0.918 0.5436 ! noe13C.3288
assign (resid 5 and name HD1) (resid 7 and name HD1#) 3.461 1.661 0.6922 ! noe13C.1022
assign (resid 5 and name HA) (resid 19 and name HA) 3 0.4 0.9 ! noe15N.229
assign (resid 5 and name HE1) (resid 7 and name HD1#) 3.627 1.827 0.7254 ! noe13C.811
assign (resid 5 and name HD1) (resid 7 and name HG11) 4.356 2.556 0.8712 ! noe13C.3258
assign (resid 5 and name HB1) (resid 7 and name HG12) 4.291 2.491 0.8582 ! noe13C.3254
assign (resid 5 and name HA) (resid 7 and name HD1#) 3.644 1.844 0.7288 ! noe13Conly.38
or (resid 17 and name HA) (resid 7 and name HD1#)
or (resid 22 and name HA) (resid 22 and name HD1#)
assign (resid 5 and name HA) (resid 5 and name HN) 2.632 0.832 0.5264 ! noe15N.59
assign (resid 5 and name HA) (resid 6 and name HN) 2.506 0.706 0.5012 ! noe15N.189
assign (resid 6 and name HA) (resid 6 and name HB1) 3.387 1.587 0.6774 ! noe13C.215
assign (resid 6 and name HB1) (resid 6 and name HA) 3.693 1.893 0.7386 ! noe13C.3039
assign (resid 6 and name HA) (resid 6 and name HN) 4.990 3.19 0.998 ! noe15N.388
assign (resid 6 and name HB1) (resid 6 and name HN) 3.165 1.365 0.633 ! noe15N.190
assign (resid 6 and name HA) (resid 7 and name HN) 2.921 1.121 0.5842 ! noe15N.49
assign (resid 7 and name HD1#) (resid 5 and name HD1) 4.098 2.298 0.8196 ! noe13C.2858
assign (resid 7 and name HD1#) (resid 5 and name HE1) 3.780 1.98 0.756 ! noe13C.2868
assign (resid 7 and name HD1#) (resid 5 and name HG1) 4.881 3.081 0.9762 ! noe13C.3050
assign (resid 7 and name HD1#) (resid 5 and name HG2) 5.096 3.296 1.0192 ! noe13C.3052
assign (resid 7 and name HG11) (resid 5 and name HE1) 4.518 2.718 0.9036 ! noe13C.3315
assign (resid 7 and name HG11) (resid 5 and name HG1) 4.846 3.046 0.9692 ! noe13C.3055
assign (resid 7 and name HG11) (resid 5 and name HG2) 4.790 2.99 0.958 ! noe13C.3056
assign (resid 7 and name HA) (resid 7 and name HD1#) 3.420 1.62 0.684 ! noe13C.340
assign (resid 7 and name HD1#) (resid 7 and name HA) 4.560 2.76 0.912 ! noe13C.3082
assign (resid 7 and name HB) (resid 7 and name HD1#) 3.231 1.431 0.6462 ! noe13C.1162
assign (resid 7 and name HD1#) (resid 7 and name HB) 4.832 3.032 0.9664 ! noe13C.3249
assign (resid 7 and name HG11) (resid 7 and name HA) 4.061 2.261 0.8122 ! noe13C.3083
assign (resid 7 and name HB) (resid 7 and name HG11) 2.308 0.508 0.4616 ! noe13C.1101
assign (resid 7 and name HB) (resid 7 and name HG11) 3.434 1.634 0.6868 ! noe13C.1203
assign (resid 7 and name HB) (resid 7 and name HG11) 4.228 2.428 0.8456 ! noe13C.3256
assign (resid 7 and name HG11) (resid 7 and name HD1#) 3.012 1.212 0.6024 ! noe13C.2222
assign (resid 7 and name HD1#) (resid 7 and name HG11) 3.883 2.083 0.7766 ! noe13C.2870
assign (resid 7 and name HG12) (resid 7 and name HB) 4.456 2.656 0.8912 ! noe13C.3247
assign (resid 7 and name HG12) (resid 7 and name HD1#) 3.086 1.286 0.6172 ! noe13C.1971
assign (resid 7 and name HA) (resid 7 and name HG2#) 3.461 1.661 0.6922 ! noe13C.360
assign (resid 7 and name HB) (resid 7 and name HG2#) 3.671 1.871 0.7342 ! noe13C.1161
assign (resid 7 and name HG2#) (resid 7 and name HB) 4.602 2.802 0.9204 ! noe13C.3248
assign (resid 7 and name HG2#) (resid 7 and name HD1#) 3.033 1.233 0.6066 ! noe13C.2816
assign (resid 7 and name HD1#) (resid 7 and name HG2#) 3.427 1.627 0.6854 ! noe13C.2865
assign (resid 7 and name HG2#) (resid 7 and name HG11) 3.958 2.158 0.7916 ! noe13C.2788
assign (resid 7 and name HG12) (resid 7 and name HG2#) 3.492 1.692 0.6984 ! noe13C.1970
assign (resid 7 and name HD1#) (resid 9 and name HD1#) 4.560 2.76 0.912 ! noe13C.2902
assign (resid 7 and name HG2#) (resid 9 and name HG11) 3.869 2.069 0.7738 ! noe13C.2787
assign (resid 7 and name HG2#) (resid 15 and name HD1) 5.551 3.751 1.1102 ! noe13C.3212
assign (resid 7 and name HG2#) (resid 15 and name HE1) 5.249 3.449 1.0498 ! noe13C.3214
assign (resid 7 and name HG12) (resid 17 and name HA) 4.773 2.973 0.9546 ! noe13C.3063
assign (resid 7 and name HG12) (resid 17 and name HB) 4.301 2.501 0.8602 ! noe13C.3176
assign (resid 7 and name HG2#) (resid 17 and name HB) 5.471 3.671 1.0942 ! noe13C.3189
assign (resid 7 and name HB) (resid 9 and name HG11) 3.885 2.085 0.777 ! noe13Conly.363
or (resid 7 and name HB) (resid 7 and name HG12)
assign (resid 7 and name HA) (resid 7 and name HN) 4.235 2.435 0.847 ! noe15N.377
assign (resid 7 and name HB) (resid 7 and name HN) 3.412 1.612 0.6824 ! noe15N.51
assign (resid 7 and name HG2#) (resid 7 and name HN) 6.000 4.2 1.2 ! noe15N.379
assign (resid 7 and name HA) (resid 8 and name HN) 2.822 1.022 0.5644 ! noe15N.13
assign (resid 8 and name HB1) (resid 8 and name HD2) 4.100 2.3 0.82 ! noe13C.3197
assign (resid 8 and name HA) (resid 8 and name HD2) 4.337 2.537 0.8674 ! noe13Conly.319
or (resid 16 and name HA) (resid 16 and name HE1)
assign (resid 8 and name HA) (resid 8 and name HN) 4.123 2.323 0.8246 ! noe15N.360
assign (resid 8 and name HB1) (resid 8 and name HN) 4.251 2.451 0.8502 ! noe15N.363
assign (resid 8 and name HD2) (resid 8 and name HN) 4.192 2.392 0.8384 ! noe15N.359
assign (resid 8 and name HA) (resid 9 and name HN) 3.471 1.671 0.6942 ! noe15N.41
assign (resid 9 and name HB) (resid 7 and name HG2#) 5.089 3.289 1.0178 ! noe13C.3230
assign (resid 9 and name HD1#) (resid 7 and name HD1#) 4.171 2.371 0.8342 ! noe13C.2923
assign (resid 9 and name HD1#) (resid 7 and name HG2#) 4.237 2.437 0.8474 ! noe13C.2927
assign (resid 9 and name HG11) (resid 7 and name HG2#) 3.701 1.901 0.7402 ! noe13C.1864
assign (resid 9 and name HA) (resid 9 and name HD1#) 3.952 2.152 0.7904 ! noe13C.341
assign (resid 9 and name HD1#) (resid 9 and name HA) 4.948 3.148 0.9896 ! noe13C.3081
assign (resid 9 and name HG11) (resid 9 and name HA) 3.907 2.107 0.7814 ! noe13C.3084
assign (resid 9 and name HG11) (resid 9 and name HD1#) 3.566 1.766 0.7132 ! noe13C.1944
assign (resid 9 and name HG12) (resid 9 and name HD1#) 3.016 1.216 0.6032 ! noe13C.2712
assign (resid 9 and name HG2#) (resid 9 and name HD1#) 4.239 2.439 0.8478 ! noe13C.2144
assign (resid 9 and name HG2#) (resid 9 and name HG11) 3.872 2.072 0.7744 ! noe13C.2145
assign (resid 9 and name HD1#) (resid 15 and name HD1) 5.415 3.615 1.083 ! noe13C.3216
assign (resid 9 and name HG12) (resid 15 and name HD1) 4.970 3.17 0.994 ! noe13C.3213
assign (resid 9 and name HD1#) (resid 15 and name HE1) 5.605 3.805 1.121 ! noe13C.3217
assign (resid 9 and name HG12) (resid 15 and name HE1) 4.948 3.148 0.9896 ! noe13C.3215
assign (resid 9 and name HA) (resid 9 and name HG11) 3.928 2.128 0.7856 ! noe13Conly.368
or (resid 7 and name HA) (resid 7 and name HG12)
assign (resid 9 and name HA) (resid 9 and name HN) 5.113 3.313 1.0226 ! noe15N.366
assign (resid 9 and name HG2#) (resid 9 and name HN) 5.095 3.295 1.019 ! noe15N.369
assign (resid 9 and name HA) (resid 10 and name HN) 3.111 1.311 0.6222 ! noe15N.227
assign (resid 9 and name HA) (resid 16 and name HN) 4.587 0.4 0.917 ! noe15N.49
assign (resid 10 and name HN) (resid 14 and name HN) 4.388 2.588 0.8776 ! noe15N.425
assign (resid 11 and name HB1) (resid 11 and name HG1) 4.524 2.724 0.9048 ! noe13C.3226
assign (resid 11 and name HA) (resid 12 and name HN) 2.891 1.091 0.5782 ! noe15N.341
assign (resid 12 and name HA1) (resid 12 and name HN) 3.611 1.811 0.7222 ! noe15N.345
assign (resid 12 and name HA2) (resid 12 and name HN) 3.721 1.921 0.7442 ! noe15N.340
assign (resid 12 and name HA1) (resid 13 and name HN) 4.471 2.671 0.8942 ! noe15N.446
assign (resid 12 and name HN) (resid 13 and name HN) 3.699 1.899 0.7398 ! noe15N.445
assign (resid 13 and name HB1) (resid 13 and name HA) 4.650 2.85 0.93 ! noe13C.3222
assign (resid 13 and name HN) (resid 10 and name HN) 4.554 2.754 0.9108 ! noe15N.441
assign (resid 13 and name HA) (resid 13 and name HN) 3.601 1.801 0.7202 ! noe15N.182
assign (resid 13 and name HD1) (resid 13 and name HN) 5.165 3.365 1.033 ! noe15N.447
assign (resid 13 and name HA) (resid 14 and name HN) 3.454 1.654 0.6908 ! noe15N.85
assign (resid 14 and name HA) (resid 14 and name HB#) 2.528 0.728 0.5056 ! noe13C.370
assign (resid 14 and name HB#) (resid 14 and name HA) 2.854 1.054 0.5708 ! noe13C.1242
assign (resid 14 and name HA) (resid 16 and name HE1) 4.474 2.674 0.8948 ! noe13C.3195
assign (resid 14 and name HA) (resid 14 and name HN) 3.213 1.413 0.6426 ! noe15N.82
assign (resid 14 and name HB#) (resid 14 and name HN) 3.018 1.218 0.6036 ! noe15N.83
assign (resid 14 and name HA) (resid 15 and name HN) 2.450 0.65 0.49 ! noe15N.124
assign (resid 15 and name HA) (resid 7 and name HD1#) 5.183 3.383 1.0366 ! noe13C.3271
assign (resid 15 and name HA) (resid 7 and name HG2#) 5.089 3.289 1.0178 ! noe13C.3235
assign (resid 15 and name HD1) (resid 7 and name HG2#) 5.148 3.348 1.0296 ! noe13C.3237
assign (resid 15 and name HE1) (resid 7 and name HD1#) 4.795 2.995 0.959 ! noe13C.3275
assign (resid 15 and name HE1) (resid 7 and name HG2#) 5.022 3.222 1.0044 ! noe13C.3238
assign (resid 15 and name HA) (resid 9 and name HD1#) 5.249 3.449 1.0498 ! noe13C.3241
assign (resid 15 and name HD1) (resid 9 and name HD1#) 4.866 3.066 0.9732 ! noe13C.3118
assign (resid 15 and name HE1) (resid 9 and name HD1#) 4.861 3.061 0.9722 ! noe13C.3119
assign (resid 15 and name HA) (resid 15 and name HB1) 3.092 1.292 0.6184 ! noe13C.257
assign (resid 15 and name HB1) (resid 15 and name HA) 2.837 1.037 0.5674 ! noe13C.725
assign (resid 15 and name HD1) (resid 15 and name HA) 3.412 1.612 0.6824 ! noe13C.134
assign (resid 15 and name HA) (resid 15 and name HD1) 4.089 2.289 0.8178 ! noe13C.3210
assign (resid 15 and name HA) (resid 15 and name HE1) 5.052 3.252 1.0104 ! noe13C.3208
assign (resid 15 and name HE1) (resid 15 and name HB1) 4.367 2.567 0.8734 ! noe13C.3205
assign (resid 15 and name HE1) (resid 15 and name HD1) 2.230 0.43 0.446 ! noe13C.120
assign (resid 15 and name HD1) (resid 15 and name HE1) 2.328 0.528 0.4656 ! noe13C.126
assign (resid 15 and name HB1) (resid 17 and name HG2#) 4.932 3.132 0.9864 ! noe13C.3087
assign (resid 15 and name HD1) (resid 17 and name HG2#) 5.052 3.252 1.0104 ! noe13C.3181
assign (resid 15 and name HA) (resid 9 and name HA) 4.259 0.4 0.852 ! noe13C.3149
assign (resid 15 and name HD1) (resid 9 and name HD1#) 3.108 1.308 0.6216 ! noe13Conly.7
or (resid 16 and name HD1) (resid 9 and name HD1#)
assign (resid 15 and name HD1) (resid 7 and name HG2#) 4.133 2.333 0.8266 ! noe13Conly.375
or (resid 16 and name HD1) (resid 7 and name HG2#)
assign (resid 15 and name HD1) (resid 7 and name HD1#) 3.937 2.137 0.7874 ! noe13Conly.379
or (resid 16 and name HD1) (resid 7 and name HD1#)
assign (resid 15 and name HD1) (resid 7 and name HD1#) 4.141 2.341 0.8282 ! noe13Conly.380
or (resid 16 and name HD1) (resid 7 and name HD1#)
assign (resid 15 and name HA) (resid 8 and name HN) 4.813 3.013 0.9626 ! noe15N.361
assign (resid 15 and name HA) (resid 15 and name HN) 2.983 1.183 0.5966 ! noe15N.123
assign (resid 15 and name HD1) (resid 15 and name HN) 4.100 2.3 0.82 ! noe15N.433
assign (resid 15 and name HA) (resid 16 and name HN) 3.439 1.639 0.6878 ! noe15N.165
assign (resid 16 and name HD1) (resid 14 and name HB#) 5.249 3.449 1.0498 ! noe13C.3220
assign (resid 16 and name HA) (resid 16 and name HB1) 3.470 1.67 0.694 ! noe13C.228
assign (resid 16 and name HB1) (resid 16 and name HA) 3.290 1.49 0.658 ! noe13C.826
assign (resid 16 and name HA) (resid 16 and name HB2) 3.557 1.757 0.7114 ! noe13C.227
assign (resid 16 and name HB2) (resid 16 and name HA) 3.172 1.372 0.6344 ! noe13C.748
assign (resid 16 and name HB2) (resid 16 and name HB1) 2.773 0.973 0.5546 ! noe13C.762
assign (resid 16 and name HB1) (resid 16 and name HB2) 2.779 0.979 0.5558 ! noe13C.812
assign (resid 16 and name HD1) (resid 16 and name HA) 3.377 1.577 0.6754 ! noe13C.147
assign (resid 16 and name HA) (resid 16 and name HD1) 3.351 1.551 0.6702 ! noe13C.225
assign (resid 16 and name HD1) (resid 16 and name HB1) 3.423 1.623 0.6846 ! noe13C.141
assign (resid 16 and name HB1) (resid 16 and name HD1) 3.285 1.485 0.657 ! noe13C.825
assign (resid 16 and name HD1) (resid 16 and name HB2) 3.385 1.585 0.677 ! noe13C.148
assign (resid 16 and name HB2) (resid 16 and name HD1) 3.191 1.391 0.6382 ! noe13C.740
assign (resid 16 and name HD1) (resid 16 and name HE1) 2.258 0.458 0.4516 ! noe13C.146
assign (resid 16 and name HB2) (resid 18 and name HG2#) 4.721 2.921 0.9442 ! noe13C.3088
assign (resid 16 and name HB#) (resid 16 and name HE1) 4.590 2.79 0.918 ! noe13Conly.321
or (resid 16 and name HB#) (resid 16 and name HE1)
or (resid 16 and name HB#) (resid 8 and name HD2)
or (resid 16 and name HB#) (resid 8 and name HD2)
assign (resid 16 and name HA) (resid 16 and name HN) 3.513 1.713 0.7026 ! noe15N.164
assign (resid 16 and name HD1) (resid 16 and name HN) 4.192 2.392 0.8384 ! noe15N.373
assign (resid 16 and name HN) (resid 8 and name HN) 3.774 0.4 0.755 ! noe15N.149
assign (resid 16 and name HA) (resid 17 and name HN) 2.497 0.697 0.4994 ! noe15N.221
assign (resid 17 and name HB) (resid 7 and name HG11) 4.198 2.398 0.8396 ! noe13C.3265
assign (resid 17 and name HA) (resid 17 and name HB) 2.570 0.77 0.514 ! noe13C.271
assign (resid 17 and name HB) (resid 17 and name HA) 2.716 0.916 0.5432 ! noe13C.361
assign (resid 17 and name HA) (resid 17 and name HB) 2.579 0.779 0.5158 ! noe13C.3185
assign (resid 17 and name HA) (resid 17 and name HG2#) 2.912 1.112 0.5824 ! noe13C.272
assign (resid 17 and name HG2#) (resid 17 and name HA) 3.221 1.421 0.6442 ! noe13C.1662
assign (resid 17 and name HB) (resid 17 and name HG2#) 2.483 0.683 0.4966 ! noe13C.371
assign (resid 17 and name HG2#) (resid 17 and name HB) 2.598 0.798 0.5196 ! noe13C.1631
assign (resid 17 and name HA) (resid 7 and name HA) 3.978 0.4 0.796 ! noe13C.1682
assign (resid 17 and name HG2#) (resid 7 and name HB) 4.813 3.013 0.9626 ! noe13Conly.357
or (resid 18 and name HG2#) (resid 7 and name HB)
assign (resid 17 and name HA) (resid 17 and name HN) 3.167 1.367 0.6334 ! noe15N.222
assign (resid 17 and name HG2#) (resid 17 and name HN) 4.010 2.21 0.802 ! noe15N.223
assign (resid 18 and name HB) (resid 18 and name HA) 2.649 0.849 0.5298 ! noe13C.327
assign (resid 18 and name HA) (resid 18 and name HB) 2.492 0.692 0.4984 ! noe13C.3184
assign (resid 18 and name HA) (resid 18 and name HG2#) 2.853 1.053 0.5706 ! noe13C.279
assign (resid 18 and name HG2#) (resid 18 and name HA) 3.290 1.49 0.658 ! noe13C.1450
assign (resid 18 and name HB) (resid 18 and name HG2#) 2.470 0.67 0.494 ! noe13C.339
assign (resid 18 and name HG2#) (resid 18 and name HB) 2.675 0.875 0.535 ! noe13C.1479
assign (resid 18 and name HG2#) (resid 18 and name HN) 3.506 1.706 0.7012 ! noe15N.219
assign (resid 18 and name HA) (resid 19 and name HN) 2.349 0.549 0.4698 ! noe15N.321
assign (resid 18 and name HN) (resid 6 and name HN) 3.512 0.4 0.702 ! noe15N.149
assign (resid 18 and name HN) (resid 7 and name HA) 4.267 0.4 0.853 ! noe15N.229
assign (resid 19 and name HA1) (resid 6 and name HN) 6.000 4.2 1.2 ! noe15N.390
assign (resid 19 and name HA1) (resid 19 and name HN) 2.295 0.495 0.459 ! noe15N.323
assign (resid 19 and name HA1) (resid 20 and name HN) 2.584 0.784 0.5168 ! noe15N.117
assign (resid 20 and name HA) (resid 20 and name HB1) 3.152 1.352 0.6304 ! noe13C.325
assign (resid 20 and name HB1) (resid 20 and name HA) 3.098 1.298 0.6196 ! noe13C.919
assign (resid 20 and name HA) (resid 20 and name HB2) 3.134 1.334 0.6268 ! noe13C.324
assign (resid 20 and name HB2) (resid 20 and name HA) 3.068 1.268 0.6136 ! noe13C.910
assign (resid 20 and name HB2) (resid 20 and name HB1) 2.200 0.4 0.44 ! noe13C.914
assign (resid 20 and name HB1) (resid 20 and name HB2) 2.200 0.4 0.44 ! noe13C.923
assign (resid 20 and name HG1) (resid 20 and name HB1) 2.526 0.726 0.5052 ! noe13C.894
assign (resid 20 and name HB1) (resid 20 and name HG1) 2.675 0.875 0.535 ! noe13C.906
assign (resid 20 and name HG1) (resid 20 and name HB2) 2.510 0.71 0.502 ! noe13C.892
assign (resid 20 and name HB2) (resid 20 and name HG1) 2.694 0.894 0.5388 ! noe13C.920
assign (resid 20 and name HG1) (resid 22 and name HG11) 4.613 2.813 0.9226 ! noe13C.3168
assign (resid 20 and name HG1) (resid 22 and name HG12) 4.576 2.776 0.9152 ! noe13Conly.299
assign (resid 20 and name HA) (resid 20 and name HN) 2.877 1.077 0.5754 ! noe15N.116
assign (resid 20 and name HA) (resid 21 and name HN) 2.841 1.041 0.5682 ! noe15N.91
assign (resid 21 and name HA) (resid 3 and name HA) 4.655 1.855 0.931 ! noe13C.3070
assign (resid 21 and name HA) (resid 21 and name HB) 3.168 1.368 0.6336 ! noe13C.419
assign (resid 21 and name HB) (resid 21 and name HA) 3.113 1.313 0.6226 ! noe13C.961
assign (resid 21 and name HD1#) (resid 21 and name HB) 2.927 1.127 0.5854 ! noe13C.2408
assign (resid 21 and name HG11) (resid 21 and name HA) 3.498 1.698 0.6996 ! noe13C.1095
assign (resid 21 and name HG11) (resid 21 and name HB) 3.391 1.591 0.6782 ! noe13C.3155
assign (resid 21 and name HG12) (resid 21 and name HA) 3.379 1.579 0.6758 ! noe13C.1722
assign (resid 21 and name HG12) (resid 21 and name HB) 3.989 2.189 0.7978 ! noe13C.3154
assign (resid 21 and name HA) (resid 21 and name HG2#) 3.014 1.214 0.6028 ! noe13C.436
assign (resid 21 and name HB) (resid 21 and name HG2#) 2.759 0.959 0.5518 ! noe13C.973
assign (resid 21 and name HG11) (resid 21 and name HG2#) 3.404 1.604 0.6808 ! noe13C.1107
assign (resid 21 and name HG12) (resid 21 and name HG2#) 3.093 1.293 0.6186 ! noe13C.1720
assign (resid 21 and name HD1#) (resid 21 and name HG2#) 2.200 0.4 0.44 ! noe13Conly.201
assign (resid 21 and name HD1#) (resid 21 and name HG11) 2.500 0.7 0.5 ! noe13Conly.198
or (resid 22 and name HD1#) (resid 22 and name HG11)
assign (resid 21 and name HA) (resid 21 and name HN) 3.485 1.685 0.697 ! noe15N.97
assign (resid 21 and name HB) (resid 21 and name HN) 3.190 1.39 0.638 ! noe15N.93
assign (resid 21 and name HD1#) (resid 21 and name HN) 5.973 4.173 1.1946 ! noe15N.95
assign (resid 21 and name HG11) (resid 21 and name HN) 3.811 2.011 0.7622 ! noe15N.94
assign (resid 21 and name HG12) (resid 21 and name HN) 3.861 2.061 0.7722 ! noe15N.98
assign (resid 21 and name HA) (resid 21 and name HD1#) 2.969 1.169 0.5938 ! noe13Conly.64
assign (resid 22 and name HG11) (resid 20 and name HB1) 4.846 3.046 0.9692 ! noe13C.3132
assign (resid 22 and name HG2#) (resid 20 and name HB1) 5.135 3.335 1.227 ! noe13C.3133
assign (resid 22 and name HB) (resid 22 and name HA) 3.254 1.454 0.6508 ! noe13C.933
assign (resid 22 and name HA) (resid 22 and name HB) 3.378 1.578 0.6756 ! noe13C.3159
assign (resid 22 and name HD1#) (resid 22 and name HA) 3.451 1.651 0.6902 ! noe13C.2223
assign (resid 22 and name HG11) (resid 22 and name HA) 4.082 2.282 0.8164 ! noe13C.3076
assign (resid 22 and name HG11) (resid 22 and name HB) 3.107 1.307 0.6214 ! noe13C.1096
assign (resid 22 and name HG12) (resid 22 and name HA) 3.436 1.636 0.6872 ! noe13C.1664
assign (resid 22 and name HG12) (resid 22 and name HB) 3.329 1.529 0.6658 ! noe13C.1666
assign (resid 22 and name HA) (resid 22 and name HG2#) 3.165 1.365 0.633 ! noe13C.390
assign (resid 22 and name HB) (resid 22 and name HG2#) 2.832 1.032 0.5664 ! noe13C.946
assign (resid 22 and name HG2#) (resid 22 and name HB) 3.184 1.384 0.6368 ! noe13C.3157
assign (resid 22 and name HG11) (resid 22 and name HG2#) 3.377 1.577 0.6754 ! noe13C.1105
assign (resid 22 and name HG12) (resid 22 and name HG2#) 3.045 1.245 0.609 ! noe13C.1718
assign (resid 22 and name HG2#) (resid 22 and name HG12) 3.888 2.088 0.7776 ! noe13C.2016
assign (resid 22 and name HG11) (resid 22 and name HD1#) 2.322 0.522 0.4644 ! noe13Conly.154
or (resid 21 and name HG11) (resid 21 and name HD1#)
assign (resid 22 and name HG12) (resid 22 and name HD1#) 2.200 0.4 0.44 ! noe13Conly.183
or (resid 21 and name HG12) (resid 21 and name HD1#)
assign (resid 22 and name HD1#) (resid 22 and name HG12) 2.370 0.57 0.474 ! noe13Conly.199
or (resid 21 and name HD1#) (resid 21 and name HG12)
assign (resid 22 and name HB) (resid 22 and name HN) 3.315 1.515 0.663 ! noe15N.37
assign (resid 22 and name HD1#) (resid 22 and name HN) 3.713 1.913 0.7426 ! noe15N.30
assign (resid 22 and name HG11) (resid 22 and name HN) 3.633 1.833 0.7266 ! noe15N.22
assign (resid 22 and name HG12) (resid 22 and name HN) 3.280 1.48 0.656 ! noe15N.23
assign (resid 22 and name HA) (resid 23 and name HN) 2.853 0.753 0.571 ! noe15N.149
assign (resid 23 and name HA1) (resid 23 and name HN) 2.738 0.938 0.5476 ! noe15N.150

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    THR   3          1H        THR   3  13.278  -5.004  -3.103
    2    HA   THR   3           HA       THR   3  11.709  -2.632  -3.748
    3    HB   THR   3           HB       THR   3  10.522  -4.111  -5.317
    4    HG1  THR   3           1HG      THR   3  11.212  -6.277  -5.508
    5   1HG2  THR   3          1HG2      THR   3  13.461  -4.665  -5.584
    6   2HG2  THR   3          2HG2      THR   3  12.719  -3.117  -5.992
    7   3HG2  THR   3          3HG2      THR   3  12.247  -4.577  -6.863
    8    H    ARG   4           H        ARG   4  11.439  -2.879  -1.208
    9    HA   ARG   4           HA       ARG   4   9.230  -4.627  -0.501
   10   1HB   ARG   4          2HB       ARG   4  10.291  -2.618   1.426
   11   2HB   ARG   4          1HB       ARG   4   9.806  -4.291   1.693
   12   1HG   ARG   4          2HG       ARG   4  11.859  -5.122   0.880
   13   2HG   ARG   4          1HG       ARG   4  12.319  -3.553   0.221
   14   1HD   ARG   4          2HD       ARG   4  12.426  -2.634   2.490
   15   2HD   ARG   4          1HD       ARG   4  11.988  -4.219   3.144
   16    HE   ARG   4           HE       ARG   4  14.184  -4.772   1.689
   17   1HH1  ARG   4          1HH1      ARG   4  13.525  -2.340   4.104
   18   2HH1  ARG   4          2HH1      ARG   4  15.165  -2.265   4.657
   19   1HH2  ARG   4          1HH2      ARG   4  16.341  -4.676   2.416
   20   2HH2  ARG   4          2HH2      ARG   4  16.762  -3.591   3.699
   21    H    LYS   5           H        LYS   5   7.166  -4.019  -0.326
   22    HA   LYS   5           HA       LYS   5   6.478  -1.209  -0.010
   23   1HB   LYS   5          2HB       LYS   5   6.595  -2.156  -2.544
   24   2HB   LYS   5          1HB       LYS   5   4.934  -2.566  -2.136
   25   1HG   LYS   5          2HG       LYS   5   4.606  -0.181  -1.449
   26   2HG   LYS   5          1HG       LYS   5   6.209   0.160  -2.124
   27   1HD   LYS   5          2HD       LYS   5   5.466  -0.619  -4.308
   28   2HD   LYS   5          1HD       LYS   5   3.883  -1.022  -3.645
   29   1HE   LYS   5          2HE       LYS   5   3.372   1.030  -4.463
   30   2HE   LYS   5          1HE       LYS   5   4.008   1.536  -2.897
   31   1HZ   LYS   5          1HZ       LYS   5   5.378   1.588  -5.522
   32   2HZ   LYS   5          2HZ       LYS   5   6.217   1.747  -4.063
   33   3HZ   LYS   5          3HZ       LYS   5   5.047   2.889  -4.489
   34    H    SER   6           H        SER   6   4.463  -0.861   0.897
   35    HA   SER   6           HA       SER   6   3.089  -3.292   1.838
   36   1HB   SER   6          2HB       SER   6   3.025  -0.549   3.114
   37   2HB   SER   6          1HB       SER   6   2.403  -2.055   3.791
   38    HG   SER   6           HG       SER   6   5.129  -1.577   3.161
   39    H    ILE   7           H        ILE   7   1.513  -3.610   0.346
   40    HA   ILE   7           HA       ILE   7  -0.292  -1.353  -0.222
   41    HB   ILE   7           HB       ILE   7   0.075  -3.867  -1.855
   42   1HG1  ILE   7          2HG1      ILE   7   2.076  -2.518  -2.009
   43   2HG1  ILE   7          1HG1      ILE   7   1.160  -2.335  -3.501
   44   1HG2  ILE   7          1HG2      ILE   7  -2.102  -3.109  -2.246
   45   2HG2  ILE   7          2HG2      ILE   7  -1.158  -2.420  -3.567
   46   3HG2  ILE   7          3HG2      ILE   7  -1.618  -1.413  -2.193
   47   1HD1  ILE   7          1HD1      ILE   7   0.251  -0.205  -2.602
   48   2HD1  ILE   7          2HD1      ILE   7   1.995  -0.201  -2.858
   49   3HD1  ILE   7          3HD1      ILE   7   1.344  -0.377  -1.229
   50    H    HIS   8           H        HIS   8  -1.951  -1.429   1.133
   51    HA   HIS   8           HA       HIS   8  -3.305  -4.021   1.511
   52   1HB   HIS   8          2HB       HIS   8  -2.110  -2.942   3.541
   53   2HB   HIS   8          1HB       HIS   8  -3.443  -1.793   3.526
   54    HD1  HIS   8           1HD      HIS   8  -2.655  -4.240   5.613
   55    HD2  HIS   8           2HD      HIS   8  -5.887  -3.943   3.019
   56    HE1  HIS   8           1HE      HIS   8  -4.418  -5.760   6.561
   57    HE2  HIS   8           2HE      HIS   8  -6.333  -5.629   4.928
   58    H    ILE   9           H        ILE   9  -5.134  -4.030   0.393
   59    HA   ILE   9           HA       ILE   9  -6.659  -1.526   0.143
   60    HB   ILE   9           HB       ILE   9  -7.012  -4.006  -1.535
   61   1HG1  ILE   9          2HG1      ILE   9  -4.737  -3.205  -1.859
   62   2HG1  ILE   9          1HG1      ILE   9  -5.708  -2.815  -3.276
   63   1HG2  ILE   9          1HG2      ILE   9  -8.928  -2.738  -1.779
   64   2HG2  ILE   9          2HG2      ILE   9  -7.927  -2.155  -3.108
   65   3HG2  ILE   9          3HG2      ILE   9  -8.062  -1.209  -1.626
   66   1HD1  ILE   9          1HD1      ILE   9  -5.974  -0.517  -2.387
   67   2HD1  ILE   9          2HD1      ILE   9  -4.307  -0.955  -2.759
   68   3HD1  ILE   9          3HD1      ILE   9  -4.861  -0.938  -1.086
   69    H    GLY  10           H        GLY  10  -8.173  -1.404   1.680
   70   1HA   GLY  10          2HA       GLY  10  -9.530  -3.850   2.557
   71   2HA   GLY  10          1HA       GLY  10  -9.576  -2.294   3.373
   72    HA   PRO  11           HA       PRO  11 -13.572  -1.742   1.557
   73   1HB   PRO  11          2HB       PRO  11 -13.854   0.934   1.807
   74   2HB   PRO  11          1HB       PRO  11 -13.922  -0.159   3.194
   75   1HG   PRO  11          2HG       PRO  11 -11.647   1.527   2.220
   76   2HG   PRO  11          1HG       PRO  11 -12.215   1.264   3.879
   77   1HD   PRO  11          2HD       PRO  11 -10.071  -0.033   2.828
   78   2HD   PRO  11          1HD       PRO  11 -11.118  -0.749   4.071
   79    H    GLY  12           H        GLY  12 -14.594   0.203   0.060
   80   1HA   GLY  12          2HA       GLY  12 -13.027   0.009  -2.404
   81   2HA   GLY  12          1HA       GLY  12 -14.732   0.422  -2.289
   82    H    ARG  13           H        ARG  13 -11.958   1.828  -0.584
   83    HA   ARG  13           HA       ARG  13 -11.723   4.130  -2.184
   84   1HB   ARG  13          2HB       ARG  13 -12.723   5.761  -0.521
   85   2HB   ARG  13          1HB       ARG  13 -13.872   4.819  -1.459
   86   1HG   ARG  13          2HG       ARG  13 -13.705   3.216   0.645
   87   2HG   ARG  13          1HG       ARG  13 -13.256   4.729   1.436
   88   1HD   ARG  13          2HD       ARG  13 -15.643   4.399   1.608
   89   2HD   ARG  13          1HD       ARG  13 -15.311   5.767   0.549
   90    HE   ARG  13           HE       ARG  13 -15.534   3.703  -1.176
   91   1HH1  ARG  13          1HH1      ARG  13 -17.573   4.877   1.400
   92   2HH1  ARG  13          2HH1      ARG  13 -19.040   4.347   0.650
   93   1HH2  ARG  13          1HH2      ARG  13 -17.464   3.003  -2.165
   94   2HH2  ARG  13          2HH2      ARG  13 -18.979   3.282  -1.373
   95    H    ALA  14           H        ALA  14 -10.030   2.279  -0.854
   96    HA   ALA  14           HA       ALA  14  -8.496   4.152   0.805
   97   1HB   ALA  14          1HB       ALA  14  -8.589   1.251   1.538
   98   2HB   ALA  14          2HB       ALA  14  -9.818   2.368   2.132
   99   3HB   ALA  14          3HB       ALA  14  -8.120   2.637   2.521
  100    H    PHE  15           H        PHE  15  -6.349   4.180   0.406
  101    HA   PHE  15           HA       PHE  15  -5.082   1.980  -1.005
  102   1HB   PHE  15          2HB       PHE  15  -5.646   4.639  -2.229
  103   2HB   PHE  15          1HB       PHE  15  -4.090   3.891  -2.576
  104    HD1  PHE  15           1HD      PHE  15  -4.474   1.180  -3.013
  105    HD2  PHE  15           2HD      PHE  15  -7.181   4.343  -3.891
  106    HE1  PHE  15           1HE      PHE  15  -5.528  -0.211  -4.749
  107    HE2  PHE  15           2HE      PHE  15  -8.242   2.958  -5.628
  108    HZ   PHE  15           HZ       PHE  15  -7.415   0.679  -6.059
  109    H    TYR  16           H        TYR  16  -3.501   1.612   0.430
  110    HA   TYR  16           HA       TYR  16  -1.904   3.910   1.352
  111   1HB   TYR  16          2HB       TYR  16  -2.718   1.353   2.659
  112   2HB   TYR  16          1HB       TYR  16  -1.150   2.046   3.088
  113    HD1  TYR  16           1HD      TYR  16  -4.416   3.693   2.340
  114    HD2  TYR  16           2HD      TYR  16  -1.381   2.930   5.222
  115    HE1  TYR  16           1HE      TYR  16  -5.532   5.223   3.911
  116    HE2  TYR  16           2HE      TYR  16  -2.487   4.455   6.800
  117    HH   TYR  16           HH       TYR  16  -5.272   5.283   6.916
  118    H    THR  17           H        THR  17  -0.044   4.112   0.318
  119    HA   THR  17           HA       THR  17   1.465   1.684  -0.364
  120    HB   THR  17           HB       THR  17   2.080   2.531  -2.483
  121    HG1  THR  17           1HG      THR  17   2.477   4.657  -2.083
  122   1HG2  THR  17          1HG2      THR  17   0.152   2.383  -3.615
  123   2HG2  THR  17          2HG2      THR  17  -0.643   3.621  -2.641
  124   3HG2  THR  17          3HG2      THR  17  -0.506   1.972  -2.031
  125    H    THR  18           H        THR  18   2.905   1.792   1.283
  126    HA   THR  18           HA       THR  18   4.874   3.937   1.122
  127    HB   THR  18           HB       THR  18   3.511   4.816   2.853
  128    HG1  THR  18           1HG      THR  18   5.509   3.328   4.199
  129   1HG2  THR  18          1HG2      THR  18   3.436   2.044   4.003
  130   2HG2  THR  18          2HG2      THR  18   2.083   3.015   3.426
  131   3HG2  THR  18          3HG2      THR  18   2.947   3.488   4.888
  132    H    GLY  19           H        GLY  19   6.738   2.922   0.809
  133   1HA   GLY  19          2HA       GLY  19   7.575   0.832   2.629
  134   2HA   GLY  19          1HA       GLY  19   7.356   0.302   0.969
  135    H    GLU  20           H        GLU  20   9.457  -0.120   0.458
  136    HA   GLU  20           HA       GLU  20  11.547   1.770   1.048
  137   1HB   GLU  20          2HB       GLU  20  12.142  -0.545   1.121
  138   2HB   GLU  20          1HB       GLU  20  11.504  -0.821  -0.501
  139   1HG   GLU  20          2HG       GLU  20  13.987  -0.742  -0.354
  140   2HG   GLU  20          1HG       GLU  20  13.281   0.408  -1.492
  141    H    ILE  21           H        ILE  21  11.090   0.255  -2.097
  142    HA   ILE  21           HA       ILE  21  11.000   2.929  -3.315
  143    HB   ILE  21           HB       ILE  21  12.342   2.004  -5.213
  144   1HG1  ILE  21          2HG1      ILE  21  12.833  -0.238  -3.240
  145   2HG1  ILE  21          1HG1      ILE  21  12.011  -0.375  -4.790
  146   1HG2  ILE  21          1HG2      ILE  21  13.361   3.477  -3.606
  147   2HG2  ILE  21          2HG2      ILE  21  14.505   2.201  -4.026
  148   3HG2  ILE  21          3HG2      ILE  21  13.634   2.138  -2.493
  149   1HD1  ILE  21          1HD1      ILE  21  14.893  -0.148  -4.180
  150   2HD1  ILE  21          2HD1      ILE  21  14.307   0.604  -5.663
  151   3HD1  ILE  21          3HD1      ILE  21  14.060  -1.122  -5.391
  Start of MODEL    2
    1   1H    THR   3          1H        THR   3  12.554  -7.068  -1.533
    2    HA   THR   3           HA       THR   3  10.680  -5.722  -3.312
    3    HB   THR   3           HB       THR   3  10.025  -8.299  -1.953
    4    HG1  THR   3           1HG      THR   3  12.089  -8.752  -2.553
    5   1HG2  THR   3          1HG2      THR   3   9.475  -8.769  -4.481
    6   2HG2  THR   3          2HG2      THR   3   9.426  -7.008  -4.553
    7   3HG2  THR   3          3HG2      THR   3   8.364  -7.874  -3.444
    8    H    ARG   4           H        ARG   4  10.959  -4.185  -1.206
    9    HA   ARG   4           HA       ARG   4   8.925  -4.826   0.779
   10   1HB   ARG   4          2HB       ARG   4  10.425  -2.251   0.836
   11   2HB   ARG   4          1HB       ARG   4   9.930  -3.295   2.165
   12   1HG   ARG   4          2HG       ARG   4  11.709  -4.840   1.683
   13   2HG   ARG   4          1HG       ARG   4  12.164  -3.921   0.249
   14   1HD   ARG   4          2HD       ARG   4  12.788  -2.027   1.608
   15   2HD   ARG   4          1HD       ARG   4  12.215  -2.847   3.066
   16    HE   ARG   4           HE       ARG   4  14.083  -4.542   2.067
   17   1HH1  ARG   4          1HH1      ARG   4  14.104  -1.147   2.873
   18   2HH1  ARG   4          2HH1      ARG   4  15.785  -1.127   3.285
   19   1HH2  ARG   4          1HH2      ARG   4  16.294  -4.519   2.610
   20   2HH2  ARG   4          2HH2      ARG   4  17.029  -3.041   3.135
   21    H    LYS   5           H        LYS   5   6.897  -4.282   0.346
   22    HA   LYS   5           HA       LYS   5   6.181  -1.610  -0.343
   23   1HB   LYS   5          2HB       LYS   5   6.780  -3.195  -2.524
   24   2HB   LYS   5          1HB       LYS   5   5.032  -3.338  -2.405
   25   1HG   LYS   5          2HG       LYS   5   6.019  -0.596  -2.132
   26   2HG   LYS   5          1HG       LYS   5   6.371  -1.347  -3.699
   27   1HD   LYS   5          2HD       LYS   5   4.091  -1.722  -4.147
   28   2HD   LYS   5          1HD       LYS   5   3.629  -1.439  -2.468
   29   1HE   LYS   5          2HE       LYS   5   3.022   0.449  -3.904
   30   2HE   LYS   5          1HE       LYS   5   4.205   0.912  -2.681
   31   1HZ   LYS   5          1HZ       LYS   5   4.623   0.506  -5.578
   32   2HZ   LYS   5          2HZ       LYS   5   5.919   0.477  -4.491
   33   3HZ   LYS   5          3HZ       LYS   5   4.972   1.871  -4.642
   34    H    SER   6           H        SER   6   4.466  -1.283   0.891
   35    HA   SER   6           HA       SER   6   2.727  -3.525   1.578
   36   1HB   SER   6          2HB       SER   6   1.866  -2.106   3.346
   37   2HB   SER   6          1HB       SER   6   3.628  -2.052   3.376
   38    HG   SER   6           HG       SER   6   3.109   0.036   3.455
   39    H    ILE   7           H        ILE   7   0.947  -3.876   0.444
   40    HA   ILE   7           HA       ILE   7  -0.493  -1.565  -0.684
   41    HB   ILE   7           HB       ILE   7  -0.192  -4.263  -2.009
   42   1HG1  ILE   7          2HG1      ILE   7   1.899  -3.021  -2.108
   43   2HG1  ILE   7          1HG1      ILE   7   1.139  -3.030  -3.697
   44   1HG2  ILE   7          1HG2      ILE   7  -1.102  -2.241  -3.780
   45   2HG2  ILE   7          2HG2      ILE   7  -2.117  -2.196  -2.338
   46   3HG2  ILE   7          3HG2      ILE   7  -1.945  -3.696  -3.247
   47   1HD1  ILE   7          1HD1      ILE   7   1.515  -0.840  -3.694
   48   2HD1  ILE   7          2HD1      ILE   7   1.807  -0.804  -1.955
   49   3HD1  ILE   7          3HD1      ILE   7   0.156  -0.734  -2.572
   50    H    HIS   8           H        HIS   8  -2.263  -1.389   0.538
   51    HA   HIS   8           HA       HIS   8  -3.840  -3.829   1.036
   52   1HB   HIS   8          2HB       HIS   8  -3.743  -1.393   2.824
   53   2HB   HIS   8          1HB       HIS   8  -4.573  -2.911   3.147
   54    HD1  HIS   8           1HD      HIS   8  -1.752  -1.219   4.260
   55    HD2  HIS   8           2HD      HIS   8  -2.369  -5.116   2.955
   56    HE1  HIS   8           1HE      HIS   8   0.152  -2.556   5.213
   57    HE2  HIS   8           2HE      HIS   8  -0.197  -4.893   4.342
   58    H    ILE   9           H        ILE   9  -5.935  -3.801   0.447
   59    HA   ILE   9           HA       ILE   9  -7.196  -1.237  -0.207
   60    HB   ILE   9           HB       ILE   9  -7.297  -3.612  -2.068
   61   1HG1  ILE   9          2HG1      ILE   9  -6.021  -1.957  -3.590
   62   2HG1  ILE   9          1HG1      ILE   9  -5.615  -1.116  -2.096
   63   1HG2  ILE   9          1HG2      ILE   9  -9.128  -1.642  -1.793
   64   2HG2  ILE   9          2HG2      ILE   9  -8.804  -2.489  -3.305
   65   3HG2  ILE   9          3HG2      ILE   9  -8.052  -0.925  -2.994
   66   1HD1  ILE   9          1HD1      ILE   9  -3.967  -2.533  -1.713
   67   2HD1  ILE   9          2HD1      ILE   9  -4.308  -3.304  -3.261
   68   3HD1  ILE   9          3HD1      ILE   9  -5.074  -3.902  -1.791
   69    H    GLY  10           H        GLY  10  -9.323  -1.124   0.292
   70   1HA   GLY  10          2HA       GLY  10 -10.581  -3.609   1.284
   71   2HA   GLY  10          1HA       GLY  10 -10.846  -2.029   2.009
   72    HA   PRO  11           HA       PRO  11 -14.377  -2.647  -0.852
   73   1HB   PRO  11          2HB       PRO  11 -16.247  -1.518   0.727
   74   2HB   PRO  11          1HB       PRO  11 -15.704  -3.186   0.961
   75   1HG   PRO  11          2HG       PRO  11 -14.897  -0.707   2.433
   76   2HG   PRO  11          1HG       PRO  11 -15.272  -2.318   3.075
   77   1HD   PRO  11          2HD       PRO  11 -12.728  -1.413   2.689
   78   2HD   PRO  11          1HD       PRO  11 -13.176  -3.128   2.606
   79    H    GLY  12           H        GLY  12 -12.645  -0.796  -1.622
   80   1HA   GLY  12          2HA       GLY  12 -12.413   1.275  -2.586
   81   2HA   GLY  12          1HA       GLY  12 -14.163   1.254  -2.718
   82    H    ARG  13           H        ARG  13 -11.443   2.540  -1.062
   83    HA   ARG  13           HA       ARG  13 -13.059   4.593   0.123
   84   1HB   ARG  13          2HB       ARG  13 -12.840   2.384   1.679
   85   2HB   ARG  13          1HB       ARG  13 -11.414   3.273   2.192
   86   1HG   ARG  13          2HG       ARG  13 -12.836   4.214   3.644
   87   2HG   ARG  13          1HG       ARG  13 -13.258   5.237   2.269
   88   1HD   ARG  13          2HD       ARG  13 -14.665   2.647   2.875
   89   2HD   ARG  13          1HD       ARG  13 -15.192   4.196   3.531
   90    HE   ARG  13           HE       ARG  13 -15.564   3.237   0.860
   91   1HH1  ARG  13          1HH1      ARG  13 -15.214   6.111   2.812
   92   2HH1  ARG  13          2HH1      ARG  13 -16.066   7.123   1.694
   93   1HH2  ARG  13          1HH2      ARG  13 -16.683   4.568  -0.611
   94   2HH2  ARG  13          2HH2      ARG  13 -16.900   6.249  -0.248
   95    H    ALA  14           H        ALA  14  -9.895   3.139   0.899
   96    HA   ALA  14           HA       ALA  14  -8.543   5.451  -0.251
   97   1HB   ALA  14          1HB       ALA  14  -8.743   4.906   2.648
   98   2HB   ALA  14          2HB       ALA  14  -8.538   6.433   1.789
   99   3HB   ALA  14          3HB       ALA  14  -7.154   5.369   2.040
  100    H    PHE  15           H        PHE  15  -6.513   5.009  -0.989
  101    HA   PHE  15           HA       PHE  15  -5.581   2.238  -0.646
  102   1HB   PHE  15          2HB       PHE  15  -6.206   2.908  -2.963
  103   2HB   PHE  15          1HB       PHE  15  -4.965   4.150  -2.905
  104    HD1  PHE  15           1HD      PHE  15  -3.813   1.348  -1.131
  105    HD2  PHE  15           2HD      PHE  15  -4.424   2.801  -5.085
  106    HE1  PHE  15           1HE      PHE  15  -2.154  -0.251  -1.973
  107    HE2  PHE  15           2HE      PHE  15  -2.764   1.197  -5.933
  108    HZ   PHE  15           HZ       PHE  15  -1.625  -0.334  -4.375
  109    H    TYR  16           H        TYR  16  -4.207   2.365   1.062
  110    HA   TYR  16           HA       TYR  16  -2.167   4.461   1.085
  111   1HB   TYR  16          2HB       TYR  16  -2.797   2.383   3.194
  112   2HB   TYR  16          1HB       TYR  16  -1.714   3.768   3.375
  113    HD1  TYR  16           1HD      TYR  16  -3.089   6.042   2.447
  114    HD2  TYR  16           2HD      TYR  16  -4.721   2.647   4.425
  115    HE1  TYR  16           1HE      TYR  16  -4.969   7.413   3.238
  116    HE2  TYR  16           2HE      TYR  16  -6.607   4.009   5.219
  117    HH   TYR  16           HH       TYR  16  -7.097   6.399   5.657
  118    H    THR  17           H        THR  17  -0.012   4.066   0.877
  119    HA   THR  17           HA       THR  17   0.962   1.330   0.790
  120    HB   THR  17           HB       THR  17   1.836   1.411  -1.411
  121    HG1  THR  17           1HG      THR  17   2.361   3.218  -2.311
  122   1HG2  THR  17          1HG2      THR  17  -0.024   1.598  -2.830
  123   2HG2  THR  17          2HG2      THR  17  -0.813   2.769  -1.773
  124   3HG2  THR  17          3HG2      THR  17  -0.664   1.086  -1.267
  125    H    THR  18           H        THR  18   2.853   1.218   1.784
  126    HA   THR  18           HA       THR  18   4.781   3.380   1.558
  127    HB   THR  18           HB       THR  18   5.078   3.362   4.095
  128    HG1  THR  18           1HG      THR  18   2.497   2.202   3.913
  129   1HG2  THR  18          1HG2      THR  18   3.639   5.126   4.448
  130   2HG2  THR  18          2HG2      THR  18   2.392   4.456   3.396
  131   3HG2  THR  18          3HG2      THR  18   3.854   5.152   2.697
  132    H    GLY  19           H        GLY  19   6.699   2.488   1.193
  133   1HA   GLY  19          2HA       GLY  19   7.719   0.330   2.761
  134   2HA   GLY  19          1HA       GLY  19   7.250  -0.210   1.156
  135    H    GLU  20           H        GLU  20   9.049  -0.481   0.008
  136    HA   GLU  20           HA       GLU  20  10.650   1.691  -0.780
  137   1HB   GLU  20          2HB       GLU  20  11.466   1.293   1.607
  138   2HB   GLU  20          1HB       GLU  20  12.134  -0.228   1.012
  139   1HG   GLU  20          2HG       GLU  20  13.974   0.983   0.645
  140   2HG   GLU  20          1HG       GLU  20  13.126   1.525  -0.802
  141    H    ILE  21           H        ILE  21  10.409   0.918  -2.829
  142    HA   ILE  21           HA       ILE  21  11.224  -1.821  -3.425
  143    HB   ILE  21           HB       ILE  21   9.135  -0.957  -4.423
  144   1HG1  ILE  21          2HG1      ILE  21  11.068  -1.362  -6.682
  145   2HG1  ILE  21          1HG1      ILE  21  10.786  -2.658  -5.523
  146   1HG2  ILE  21          1HG2      ILE  21   9.073   0.774  -6.009
  147   2HG2  ILE  21          2HG2      ILE  21  10.830   0.806  -6.164
  148   3HG2  ILE  21          3HG2      ILE  21  10.065   1.394  -4.690
  149   1HD1  ILE  21          1HD1      ILE  21   8.253  -2.051  -6.119
  150   2HD1  ILE  21          2HD1      ILE  21   9.207  -3.228  -7.023
  151   3HD1  ILE  21          3HD1      ILE  21   9.033  -1.581  -7.631
  Start of MODEL    3
    1   1H    THR   3          1H        THR   3  14.270  -4.332  -0.421
    2    HA   THR   3           HA       THR   3  13.346  -1.585  -0.744
    3    HB   THR   3           HB       THR   3  13.999  -3.233  -3.121
    4    HG1  THR   3           1HG      THR   3  15.730  -3.968  -2.162
    5   1HG2  THR   3          1HG2      THR   3  14.618  -1.299  -4.043
    6   2HG2  THR   3          2HG2      THR   3  15.486  -0.772  -2.601
    7   3HG2  THR   3          3HG2      THR   3  13.738  -0.565  -2.703
    8    H    ARG   4           H        ARG   4  11.475  -3.487   0.171
    9    HA   ARG   4           HA       ARG   4   9.781  -4.187  -2.072
   10   1HB   ARG   4          2HB       ARG   4   9.402  -4.588   0.902
   11   2HB   ARG   4          1HB       ARG   4   8.406  -5.291  -0.366
   12   1HG   ARG   4          2HG       ARG   4   9.850  -6.948  -0.744
   13   2HG   ARG   4          1HG       ARG   4  11.245  -5.870  -0.674
   14   1HD   ARG   4          2HD       ARG   4  11.681  -6.408   1.450
   15   2HD   ARG   4          1HD       ARG   4   9.983  -6.245   1.921
   16    HE   ARG   4           HE       ARG   4  10.518  -8.640   0.437
   17   1HH1  ARG   4          1HH1      ARG   4  10.599  -7.189   3.610
   18   2HH1  ARG   4          2HH1      ARG   4  10.468  -8.702   4.443
   19   1HH2  ARG   4          1HH2      ARG   4  10.347 -10.631   1.529
   20   2HH2  ARG   4          2HH2      ARG   4  10.327 -10.656   3.261
   21    H    LYS   5           H        LYS   5   7.276  -3.891  -1.214
   22    HA   LYS   5           HA       LYS   5   6.952  -1.050  -0.530
   23   1HB   LYS   5          2HB       LYS   5   6.641  -1.894  -3.069
   24   2HB   LYS   5          1HB       LYS   5   5.022  -2.207  -2.461
   25   1HG   LYS   5          2HG       LYS   5   5.397   0.291  -1.528
   26   2HG   LYS   5          1HG       LYS   5   6.390   0.343  -2.995
   27   1HD   LYS   5          2HD       LYS   5   4.583  -0.002  -4.386
   28   2HD   LYS   5          1HD       LYS   5   3.636  -0.805  -3.131
   29   1HE   LYS   5          2HE       LYS   5   2.859   1.149  -2.276
   30   2HE   LYS   5          1HE       LYS   5   4.335   2.032  -2.665
   31   1HZ   LYS   5          1HZ       LYS   5   2.042   2.341  -3.977
   32   2HZ   LYS   5          2HZ       LYS   5   2.758   1.145  -4.937
   33   3HZ   LYS   5          3HZ       LYS   5   3.559   2.612  -4.681
   34    H    SER   6           H        SER   6   4.866  -0.505   0.361
   35    HA   SER   6           HA       SER   6   3.277  -2.775   1.314
   36   1HB   SER   6          2HB       SER   6   4.791  -2.333   3.146
   37   2HB   SER   6          1HB       SER   6   4.444  -0.606   3.072
   38    HG   SER   6           HG       SER   6   3.078  -1.207   4.597
   39    H    ILE   7           H        ILE   7   1.211  -2.438   0.871
   40    HA   ILE   7           HA       ILE   7   0.169   0.311   0.952
   41    HB   ILE   7           HB       ILE   7  -0.585  -1.719  -1.152
   42   1HG1  ILE   7          2HG1      ILE   7   0.917   0.815  -1.717
   43   2HG1  ILE   7          1HG1      ILE   7   1.793  -0.620  -1.198
   44   1HG2  ILE   7          1HG2      ILE   7  -1.610   0.919  -0.361
   45   2HG2  ILE   7          2HG2      ILE   7  -2.413  -0.411  -1.194
   46   3HG2  ILE   7          3HG2      ILE   7  -1.370   0.692  -2.093
   47   1HD1  ILE   7          1HD1      ILE   7  -0.066  -0.575  -3.555
   48   2HD1  ILE   7          2HD1      ILE   7   1.069  -1.843  -3.099
   49   3HD1  ILE   7          3HD1      ILE   7   1.668  -0.284  -3.665
   50    H    HIS   8           H        HIS   8  -1.987   0.536   1.566
   51    HA   HIS   8           HA       HIS   8  -3.162  -1.867   2.799
   52   1HB   HIS   8          2HB       HIS   8  -3.251   1.038   3.579
   53   2HB   HIS   8          1HB       HIS   8  -4.438  -0.109   4.188
   54    HD1  HIS   8           1HD      HIS   8  -1.866   1.485   5.604
   55    HD2  HIS   8           2HD      HIS   8  -2.439  -2.577   4.945
   56    HE1  HIS   8           1HE      HIS   8  -0.404   0.319   7.286
   57    HE2  HIS   8           2HE      HIS   8  -0.695  -2.137   6.805
   58    H    ILE   9           H        ILE   9  -4.489  -2.634   1.226
   59    HA   ILE   9           HA       ILE   9  -6.793  -0.975   0.549
   60    HB   ILE   9           HB       ILE   9  -6.655  -1.812  -1.847
   61   1HG1  ILE   9          2HG1      ILE   9  -3.772  -2.277  -1.042
   62   2HG1  ILE   9          1HG1      ILE   9  -4.932  -3.533  -1.465
   63   1HG2  ILE   9          1HG2      ILE   9  -6.309   0.474  -1.518
   64   2HG2  ILE   9          2HG2      ILE   9  -4.896  -0.048  -2.436
   65   3HG2  ILE   9          3HG2      ILE   9  -4.770   0.218  -0.696
   66   1HD1  ILE   9          1HD1      ILE   9  -3.795  -1.416  -3.266
   67   2HD1  ILE   9          2HD1      ILE   9  -5.119  -2.488  -3.719
   68   3HD1  ILE   9          3HD1      ILE   9  -3.530  -3.158  -3.344
   69    H    GLY  10           H        GLY  10  -8.534  -2.112   1.070
   70   1HA   GLY  10          2HA       GLY  10  -8.507  -5.021   0.560
   71   2HA   GLY  10          1HA       GLY  10  -9.134  -4.365   2.065
   72    HA   PRO  11           HA       PRO  11 -13.209  -4.372   0.378
   73   1HB   PRO  11          2HB       PRO  11 -13.514  -1.721   1.696
   74   2HB   PRO  11          1HB       PRO  11 -14.517  -3.170   1.836
   75   1HG   PRO  11          2HG       PRO  11 -12.854  -2.474   3.797
   76   2HG   PRO  11          1HG       PRO  11 -13.081  -4.177   3.355
   77   1HD   PRO  11          2HD       PRO  11 -10.806  -2.341   2.736
   78   2HD   PRO  11          1HD       PRO  11 -10.788  -4.075   3.119
   79    H    GLY  12           H        GLY  12 -11.102  -1.614  -0.008
   80   1HA   GLY  12          2HA       GLY  12 -10.741  -0.688  -2.195
   81   2HA   GLY  12          1HA       GLY  12 -12.415  -1.060  -2.585
   82    H    ARG  13           H        ARG  13 -10.512   0.896  -0.293
   83    HA   ARG  13           HA       ARG  13 -12.175   3.198  -0.922
   84   1HB   ARG  13          2HB       ARG  13 -12.221   1.759   1.665
   85   2HB   ARG  13          1HB       ARG  13 -12.121   3.512   1.761
   86   1HG   ARG  13          2HG       ARG  13 -14.353   3.414   1.670
   87   2HG   ARG  13          1HG       ARG  13 -14.099   3.211  -0.066
   88   1HD   ARG  13          2HD       ARG  13 -14.509   0.945   0.002
   89   2HD   ARG  13          1HD       ARG  13 -14.071   0.810   1.706
   90    HE   ARG  13           HE       ARG  13 -16.300   2.338   1.763
   91   1HH1  ARG  13          1HH1      ARG  13 -15.558  -0.737   0.290
   92   2HH1  ARG  13          2HH1      ARG  13 -17.179  -1.330   0.418
   93   1HH2  ARG  13          1HH2      ARG  13 -18.434   1.561   1.930
   94   2HH2  ARG  13          2HH2      ARG  13 -18.812  -0.026   1.346
   95    H    ALA  14           H        ALA  14  -9.678   2.107   1.384
   96    HA   ALA  14           HA       ALA  14  -8.287   4.647   1.076
   97   1HB   ALA  14          1HB       ALA  14  -8.683   3.121   3.257
   98   2HB   ALA  14          2HB       ALA  14  -7.342   4.256   3.088
   99   3HB   ALA  14          3HB       ALA  14  -7.093   2.541   2.757
  100    H    PHE  15           H        PHE  15  -6.482   4.934  -0.087
  101    HA   PHE  15           HA       PHE  15  -5.031   2.566  -1.047
  102   1HB   PHE  15          2HB       PHE  15  -6.544   3.358  -2.838
  103   2HB   PHE  15          1HB       PHE  15  -5.795   4.944  -2.750
  104    HD1  PHE  15           1HD      PHE  15  -3.627   2.092  -2.328
  105    HD2  PHE  15           2HD      PHE  15  -5.355   4.747  -5.165
  106    HE1  PHE  15           1HE      PHE  15  -1.952   1.414  -3.980
  107    HE2  PHE  15           2HE      PHE  15  -3.677   4.067  -6.830
  108    HZ   PHE  15           HZ       PHE  15  -1.969   2.395  -6.239
  109    H    TYR  16           H        TYR  16  -3.728   3.356   0.858
  110    HA   TYR  16           HA       TYR  16  -2.142   5.739   0.348
  111   1HB   TYR  16          2HB       TYR  16  -2.330   3.821   2.666
  112   2HB   TYR  16          1HB       TYR  16  -1.064   5.047   2.572
  113    HD1  TYR  16           1HD      TYR  16  -4.783   4.757   2.307
  114    HD2  TYR  16           2HD      TYR  16  -1.459   7.093   3.568
  115    HE1  TYR  16           1HE      TYR  16  -6.322   6.409   3.282
  116    HE2  TYR  16           2HE      TYR  16  -2.987   8.751   4.548
  117    HH   TYR  16           HH       TYR  16  -5.445   9.466   4.125
  118    H    THR  17           H        THR  17  -0.238   5.716  -0.635
  119    HA   THR  17           HA       THR  17   1.095   3.130  -1.041
  120    HB   THR  17           HB       THR  17   2.128   4.075  -2.986
  121    HG1  THR  17           1HG      THR  17   1.002   6.545  -2.172
  122   1HG2  THR  17          1HG2      THR  17   0.033   3.425  -3.691
  123   2HG2  THR  17          2HG2      THR  17   0.106   5.108  -4.209
  124   3HG2  THR  17          3HG2      THR  17  -0.785   4.672  -2.752
  125    H    THR  18           H        THR  18   3.028   2.733  -0.170
  126    HA   THR  18           HA       THR  18   4.701   4.961   0.720
  127    HB   THR  18           HB       THR  18   5.125   3.625   2.870
  128    HG1  THR  18           1HG      THR  18   2.593   2.541   2.213
  129   1HG2  THR  18          1HG2      THR  18   2.311   4.558   2.900
  130   2HG2  THR  18          2HG2      THR  18   3.581   5.724   2.525
  131   3HG2  THR  18          3HG2      THR  18   3.614   4.843   4.053
  132    H    GLY  19           H        GLY  19   6.735   4.665   0.092
  133   1HA   GLY  19          2HA       GLY  19   7.528   2.100  -1.001
  134   2HA   GLY  19          1HA       GLY  19   8.452   3.595  -1.067
  135    H    GLU  20           H        GLU  20   9.101   0.751  -0.255
  136    HA   GLU  20           HA       GLU  20  10.031   1.271   2.485
  137   1HB   GLU  20          2HB       GLU  20   8.660  -0.867   1.644
  138   2HB   GLU  20          1HB       GLU  20  10.290  -1.433   1.271
  139   1HG   GLU  20          2HG       GLU  20   9.805  -2.230   3.424
  140   2HG   GLU  20          1HG       GLU  20  10.892  -0.860   3.656
  141    H    ILE  21           H        ILE  21  11.856   2.493   2.015
  142    HA   ILE  21           HA       ILE  21  13.926   1.228   0.361
  143    HB   ILE  21           HB       ILE  21  13.938   4.034   1.470
  144   1HG1  ILE  21          2HG1      ILE  21  13.103   3.111  -1.288
  145   2HG1  ILE  21          1HG1      ILE  21  11.995   3.653  -0.030
  146   1HG2  ILE  21          1HG2      ILE  21  15.453   2.972  -0.896
  147   2HG2  ILE  21          2HG2      ILE  21  16.095   2.893   0.745
  148   3HG2  ILE  21          3HG2      ILE  21  15.731   4.457   0.014
  149   1HD1  ILE  21          1HD1      ILE  21  13.593   5.781  -0.116
  150   2HD1  ILE  21          2HD1      ILE  21  12.190   5.591  -1.168
  151   3HD1  ILE  21          3HD1      ILE  21  13.801   5.206  -1.770
  Start of MODEL    4
    1   1H    THR   3          1H        THR   3  14.382  -3.388  -0.211
    2    HA   THR   3           HA       THR   3  12.858  -0.961   0.316
    3    HB   THR   3           HB       THR   3  14.157  -1.371  -2.319
    4    HG1  THR   3           1HG      THR   3  15.885  -2.118  -1.362
    5   1HG2  THR   3          1HG2      THR   3  13.988   0.857  -0.330
    6   2HG2  THR   3          2HG2      THR   3  13.404   0.806  -1.992
    7   3HG2  THR   3          3HG2      THR   3  15.137   0.890  -1.669
    8    H    ARG   4           H        ARG   4  11.141  -2.952   0.267
    9    HA   ARG   4           HA       ARG   4  10.077  -3.348  -2.401
   10   1HB   ARG   4          2HB       ARG   4   8.702  -5.006  -1.454
   11   2HB   ARG   4          1HB       ARG   4  10.238  -5.135  -0.590
   12   1HG   ARG   4          2HG       ARG   4   8.695  -3.328   0.884
   13   2HG   ARG   4          1HG       ARG   4   7.601  -4.633   0.427
   14   1HD   ARG   4          2HD       ARG   4   9.580  -6.160   1.199
   15   2HD   ARG   4          1HD       ARG   4  10.083  -4.718   2.090
   16    HE   ARG   4           HE       ARG   4   8.326  -5.036   3.531
   17   1HH1  ARG   4          1HH1      ARG   4   7.872  -7.057   0.724
   18   2HH1  ARG   4          2HH1      ARG   4   6.542  -7.928   1.411
   19   1HH2  ARG   4          1HH2      ARG   4   6.579  -6.179   4.438
   20   2HH2  ARG   4          2HH2      ARG   4   5.807  -7.428   3.520
   21    H    LYS   5           H        LYS   5   7.399  -3.448  -2.040
   22    HA   LYS   5           HA       LYS   5   6.709  -0.664  -1.362
   23   1HB   LYS   5          2HB       LYS   5   6.332  -2.131  -3.765
   24   2HB   LYS   5          1HB       LYS   5   4.742  -1.859  -3.063
   25   1HG   LYS   5          2HG       LYS   5   5.812   0.602  -2.793
   26   2HG   LYS   5          1HG       LYS   5   6.643   0.042  -4.255
   27   1HD   LYS   5          2HD       LYS   5   4.500  -0.462  -5.297
   28   2HD   LYS   5          1HD       LYS   5   3.653   0.029  -3.829
   29   1HE   LYS   5          2HE       LYS   5   3.510   1.871  -5.293
   30   2HE   LYS   5          1HE       LYS   5   4.755   2.292  -4.117
   31   1HZ   LYS   5          1HZ       LYS   5   5.114   2.580  -6.702
   32   2HZ   LYS   5          2HZ       LYS   5   5.625   0.972  -6.572
   33   3HZ   LYS   5          3HZ       LYS   5   6.388   2.178  -5.664
   34    H    SER   6           H        SER   6   5.544  -0.505   0.430
   35    HA   SER   6           HA       SER   6   3.862  -2.769   1.242
   36   1HB   SER   6          2HB       SER   6   3.965  -1.908   3.478
   37   2HB   SER   6          1HB       SER   6   5.604  -1.861   2.829
   38    HG   SER   6           HG       SER   6   5.059   0.399   2.256
   39    H    ILE   7           H        ILE   7   1.805  -2.629   0.659
   40    HA   ILE   7           HA       ILE   7   0.472  -0.005   0.833
   41    HB   ILE   7           HB       ILE   7  -0.146  -2.140  -1.212
   42   1HG1  ILE   7          2HG1      ILE   7   0.956   0.519  -1.977
   43   2HG1  ILE   7          1HG1      ILE   7   2.078  -0.664  -1.311
   44   1HG2  ILE   7          1HG2      ILE   7  -1.541  -0.394  -2.237
   45   2HG2  ILE   7          2HG2      ILE   7  -1.165   0.680  -0.888
   46   3HG2  ILE   7          3HG2      ILE   7  -2.078  -0.804  -0.607
   47   1HD1  ILE   7          1HD1      ILE   7   1.466  -0.449  -3.923
   48   2HD1  ILE   7          2HD1      ILE   7   0.304  -1.676  -3.417
   49   3HD1  ILE   7          3HD1      ILE   7   2.029  -1.933  -3.156
   50    H    HIS   8           H        HIS   8  -1.387   0.056   1.949
   51    HA   HIS   8           HA       HIS   8  -2.451  -2.502   2.944
   52   1HB   HIS   8          2HB       HIS   8  -2.355   0.249   4.159
   53   2HB   HIS   8          1HB       HIS   8  -3.479  -0.973   4.747
   54    HD1  HIS   8           1HD      HIS   8  -2.176  -3.336   5.426
   55    HD2  HIS   8           2HD      HIS   8   0.032   0.185   5.420
   56    HE1  HIS   8           1HE      HIS   8  -0.147  -3.814   6.833
   57    HE2  HIS   8           2HE      HIS   8   1.149  -1.653   6.857
   58    H    ILE   9           H        ILE   9  -4.028  -3.039   1.531
   59    HA   ILE   9           HA       ILE   9  -6.309  -1.210   1.348
   60    HB   ILE   9           HB       ILE   9  -6.620  -1.845  -1.050
   61   1HG1  ILE   9          2HG1      ILE   9  -3.755  -2.794  -0.825
   62   2HG1  ILE   9          1HG1      ILE   9  -5.153  -3.854  -0.982
   63   1HG2  ILE   9          1HG2      ILE   9  -4.386  -0.459  -1.689
   64   2HG2  ILE   9          2HG2      ILE   9  -4.525  -0.091   0.030
   65   3HG2  ILE   9          3HG2      ILE   9  -5.862   0.272  -1.059
   66   1HD1  ILE   9          1HD1      ILE   9  -4.994  -3.706  -3.177
   67   2HD1  ILE   9          2HD1      ILE   9  -3.634  -2.594  -3.018
   68   3HD1  ILE   9          3HD1      ILE   9  -5.282  -1.968  -3.080
   69    H    GLY  10           H        GLY  10  -8.296  -2.200   1.323
   70   1HA   GLY  10          2HA       GLY  10  -8.302  -5.152   1.309
   71   2HA   GLY  10          1HA       GLY  10  -9.130  -4.255   2.572
   72    HA   PRO  11           HA       PRO  11 -12.799  -4.232   0.149
   73   1HB   PRO  11          2HB       PRO  11 -13.867  -1.791   0.712
   74   2HB   PRO  11          1HB       PRO  11 -13.880  -3.141   1.851
   75   1HG   PRO  11          2HG       PRO  11 -12.016  -0.801   1.708
   76   2HG   PRO  11          1HG       PRO  11 -12.778  -1.540   3.128
   77   1HD   PRO  11          2HD       PRO  11 -10.216  -2.042   2.451
   78   2HD   PRO  11          1HD       PRO  11 -11.252  -3.273   3.204
   79    H    GLY  12           H        GLY  12 -11.024  -1.167  -0.060
   80   1HA   GLY  12          2HA       GLY  12 -10.105  -0.703  -2.347
   81   2HA   GLY  12          1HA       GLY  12 -11.723  -1.066  -2.930
   82    H    ARG  13           H        ARG  13 -10.218   1.021  -0.458
   83    HA   ARG  13           HA       ARG  13 -11.524   3.336  -1.646
   84   1HB   ARG  13          2HB       ARG  13 -12.330   2.102   0.903
   85   2HB   ARG  13          1HB       ARG  13 -12.034   3.834   0.994
   86   1HG   ARG  13          2HG       ARG  13 -13.738   4.333  -0.504
   87   2HG   ARG  13          1HG       ARG  13 -13.780   2.690  -1.149
   88   1HD   ARG  13          2HD       ARG  13 -15.296   2.067   0.356
   89   2HD   ARG  13          1HD       ARG  13 -14.320   2.695   1.684
   90    HE   ARG  13           HE       ARG  13 -15.422   4.924   0.637
   91   1HH1  ARG  13          1HH1      ARG  13 -16.771   1.881   1.685
   92   2HH1  ARG  13          2HH1      ARG  13 -18.288   2.570   2.153
   93   1HH2  ARG  13          1HH2      ARG  13 -17.418   5.834   1.253
   94   2HH2  ARG  13          2HH2      ARG  13 -18.657   4.815   1.907
   95    H    ALA  14           H        ALA  14  -9.522   2.146   1.036
   96    HA   ALA  14           HA       ALA  14  -8.013   4.655   1.009
   97   1HB   ALA  14          1HB       ALA  14  -7.824   2.355   2.950
   98   2HB   ALA  14          2HB       ALA  14  -8.829   3.785   3.173
   99   3HB   ALA  14          3HB       ALA  14  -7.074   3.943   3.117
  100    H    PHE  15           H        PHE  15  -6.466   4.661  -0.505
  101    HA   PHE  15           HA       PHE  15  -4.849   2.235  -0.870
  102   1HB   PHE  15          2HB       PHE  15  -6.016   4.053  -2.721
  103   2HB   PHE  15          1HB       PHE  15  -4.267   4.209  -2.854
  104    HD1  PHE  15           1HD      PHE  15  -3.172   1.640  -2.553
  105    HD2  PHE  15           2HD      PHE  15  -6.866   2.716  -4.369
  106    HE1  PHE  15           1HE      PHE  15  -3.090  -0.403  -3.920
  107    HE2  PHE  15           2HE      PHE  15  -6.794   0.672  -5.738
  108    HZ   PHE  15           HZ       PHE  15  -4.904  -0.891  -5.514
  109    H    TYR  16           H        TYR  16  -3.412   2.502   0.829
  110    HA   TYR  16           HA       TYR  16  -1.892   4.977   1.019
  111   1HB   TYR  16          2HB       TYR  16  -1.862   2.445   2.677
  112   2HB   TYR  16          1HB       TYR  16  -0.820   3.840   2.985
  113    HD1  TYR  16           1HD      TYR  16  -2.615   6.100   2.602
  114    HD2  TYR  16           2HD      TYR  16  -3.368   2.335   4.436
  115    HE1  TYR  16           1HE      TYR  16  -4.389   7.124   3.961
  116    HE2  TYR  16           2HE      TYR  16  -5.145   3.349   5.801
  117    HH   TYR  16           HH       TYR  16  -6.669   5.342   5.653
  118    H    THR  17           H        THR  17  -0.293   5.221  -0.394
  119    HA   THR  17           HA       THR  17   1.382   2.889  -1.049
  120    HB   THR  17           HB       THR  17   1.967   4.025  -3.117
  121    HG1  THR  17           1HG      THR  17   0.212   6.095  -2.305
  122   1HG2  THR  17          1HG2      THR  17  -0.059   2.715  -3.240
  123   2HG2  THR  17          2HG2      THR  17  -0.197   4.159  -4.244
  124   3HG2  THR  17          3HG2      THR  17  -1.009   4.091  -2.678
  125    H    THR  18           H        THR  18   3.070   2.903   0.312
  126    HA   THR  18           HA       THR  18   4.676   5.364   0.446
  127    HB   THR  18           HB       THR  18   5.096   5.080   2.772
  128    HG1  THR  18           1HG      THR  18   3.808   2.586   2.456
  129   1HG2  THR  18          1HG2      THR  18   3.073   5.540   3.738
  130   2HG2  THR  18          2HG2      THR  18   2.208   4.363   2.751
  131   3HG2  THR  18          3HG2      THR  18   2.735   5.891   2.043
  132    H    GLY  19           H        GLY  19   6.951   4.975   1.027
  133   1HA   GLY  19          2HA       GLY  19   7.929   2.633  -0.385
  134   2HA   GLY  19          1HA       GLY  19   8.892   3.990   0.180
  135    H    GLU  20           H        GLU  20   9.792   1.415   0.490
  136    HA   GLU  20           HA       GLU  20   9.484   0.970   3.386
  137   1HB   GLU  20          2HB       GLU  20   8.900  -0.824   1.396
  138   2HB   GLU  20          1HB       GLU  20  10.556  -1.269   1.808
  139   1HG   GLU  20          2HG       GLU  20   8.231  -1.099   3.715
  140   2HG   GLU  20          1HG       GLU  20   8.958  -2.575   3.079
  141    H    ILE  21           H        ILE  21  11.219   2.828   2.996
  142    HA   ILE  21           HA       ILE  21  13.874   1.745   2.499
  143    HB   ILE  21           HB       ILE  21  13.155   4.557   3.324
  144   1HG1  ILE  21          2HG1      ILE  21  13.718   3.679   0.502
  145   2HG1  ILE  21          1HG1      ILE  21  12.081   3.638   1.154
  146   1HG2  ILE  21          1HG2      ILE  21  15.584   3.409   3.325
  147   2HG2  ILE  21          2HG2      ILE  21  15.313   5.118   2.985
  148   3HG2  ILE  21          3HG2      ILE  21  15.515   3.975   1.658
  149   1HD1  ILE  21          1HD1      ILE  21  12.391   5.672  -0.061
  150   2HD1  ILE  21          2HD1      ILE  21  13.851   6.050   0.856
  151   3HD1  ILE  21          3HD1      ILE  21  12.279   6.053   1.658
  Start of MODEL    5
    1   1H    THR   3          1H        THR   3  13.432  -3.315   3.091
    2    HA   THR   3           HA       THR   3  11.757  -0.928   3.132
    3    HB   THR   3           HB       THR   3  13.350  -0.308   1.172
    4    HG1  THR   3           1HG      THR   3  15.329  -1.457   1.274
    5   1HG2  THR   3          1HG2      THR   3  13.691  -0.123   3.986
    6   2HG2  THR   3          2HG2      THR   3  14.280   0.955   2.721
    7   3HG2  THR   3          3HG2      THR   3  15.262  -0.415   3.238
    8    H    ARG   4           H        ARG   4  10.410  -3.227   2.548
    9    HA   ARG   4           HA       ARG   4  10.114  -3.483  -0.319
   10   1HB   ARG   4          2HB       ARG   4   9.276  -4.965   2.105
   11   2HB   ARG   4          1HB       ARG   4   8.204  -5.078   0.714
   12   1HG   ARG   4          2HG       ARG   4   9.528  -6.816   0.188
   13   2HG   ARG   4          1HG       ARG   4  10.567  -5.555  -0.479
   14   1HD   ARG   4          2HD       ARG   4  11.075  -5.834   2.329
   15   2HD   ARG   4          1HD       ARG   4  11.171  -7.419   1.548
   16    HE   ARG   4           HE       ARG   4  12.602  -5.334   0.170
   17   1HH1  ARG   4          1HH1      ARG   4  12.776  -7.778   2.653
   18   2HH1  ARG   4          2HH1      ARG   4  14.500  -7.921   2.566
   19   1HH2  ARG   4          1HH2      ARG   4  14.868  -5.518   0.054
   20   2HH2  ARG   4          2HH2      ARG   4  15.687  -6.637   1.092
   21    H    LYS   5           H        LYS   5   8.287  -2.946  -1.484
   22    HA   LYS   5           HA       LYS   5   6.850  -0.677  -0.736
   23   1HB   LYS   5          2HB       LYS   5   7.108  -1.311  -3.063
   24   2HB   LYS   5          1HB       LYS   5   6.192  -2.788  -2.797
   25   1HG   LYS   5          2HG       LYS   5   4.798  -1.189  -3.909
   26   2HG   LYS   5          1HG       LYS   5   4.207  -1.408  -2.252
   27   1HD   LYS   5          2HD       LYS   5   4.155   0.901  -2.536
   28   2HD   LYS   5          1HD       LYS   5   5.687   0.635  -1.702
   29   1HE   LYS   5          2HE       LYS   5   6.882   1.399  -3.433
   30   2HE   LYS   5          1HE       LYS   5   5.926   0.488  -4.601
   31   1HZ   LYS   5          1HZ       LYS   5   5.697   2.838  -4.993
   32   2HZ   LYS   5          2HZ       LYS   5   5.201   3.105  -3.398
   33   3HZ   LYS   5          3HZ       LYS   5   4.218   2.220  -4.451
   34    H    SER   6           H        SER   6   5.342  -0.449   0.766
   35    HA   SER   6           HA       SER   6   3.731  -2.779   1.535
   36   1HB   SER   6          2HB       SER   6   4.899  -0.543   2.990
   37   2HB   SER   6          1HB       SER   6   3.181  -0.733   3.346
   38    HG   SER   6           HG       SER   6   5.090  -2.831   3.457
   39    H    ILE   7           H        ILE   7   1.677  -2.907   0.928
   40    HA   ILE   7           HA       ILE   7   0.211  -0.427   0.343
   41    HB   ILE   7           HB       ILE   7   0.068  -2.932  -1.337
   42   1HG1  ILE   7          2HG1      ILE   7   2.187  -1.634  -1.607
   43   2HG1  ILE   7          1HG1      ILE   7   1.206  -1.693  -3.068
   44   1HG2  ILE   7          1HG2      ILE   7  -1.399  -1.699  -2.781
   45   2HG2  ILE   7          2HG2      ILE   7  -1.195  -0.238  -1.813
   46   3HG2  ILE   7          3HG2      ILE   7  -2.040  -1.633  -1.141
   47   1HD1  ILE   7          1HD1      ILE   7   0.343   0.564  -2.499
   48   2HD1  ILE   7          2HD1      ILE   7   2.077   0.512  -2.815
   49   3HD1  ILE   7          3HD1      ILE   7   1.484   0.611  -1.157
   50    H    HIS   8           H        HIS   8  -1.842  -0.344   1.071
   51    HA   HIS   8           HA       HIS   8  -2.899  -2.771   2.368
   52   1HB   HIS   8          2HB       HIS   8  -3.167   0.133   3.146
   53   2HB   HIS   8          1HB       HIS   8  -4.165  -1.138   3.840
   54    HD1  HIS   8           1HD      HIS   8  -3.145  -2.555   5.669
   55    HD2  HIS   8           2HD      HIS   8  -0.395  -0.025   3.850
   56    HE1  HIS   8           1HE      HIS   8  -1.072  -2.687   7.085
   57    HE2  HIS   8           2HE      HIS   8   0.552  -1.087   6.010
   58    H    ILE   9           H        ILE   9  -4.505  -3.618   1.225
   59    HA   ILE   9           HA       ILE   9  -6.541  -1.813   0.112
   60    HB   ILE   9           HB       ILE   9  -5.575  -4.278  -1.331
   61   1HG1  ILE   9          2HG1      ILE   9  -3.771  -2.618  -1.263
   62   2HG1  ILE   9          1HG1      ILE   9  -4.434  -2.754  -2.888
   63   1HG2  ILE   9          1HG2      ILE   9  -7.812  -3.750  -1.922
   64   2HG2  ILE   9          2HG2      ILE   9  -6.786  -3.173  -3.237
   65   3HG2  ILE   9          3HG2      ILE   9  -7.438  -2.031  -2.060
   66   1HD1  ILE   9          1HD1      ILE   9  -4.942  -0.603  -2.928
   67   2HD1  ILE   9          2HD1      ILE   9  -4.054  -0.436  -1.415
   68   3HD1  ILE   9          3HD1      ILE   9  -5.796  -0.708  -1.391
   69    H    GLY  10           H        GLY  10  -8.650  -2.610   0.084
   70   1HA   GLY  10          2HA       GLY  10  -9.104  -5.287   1.185
   71   2HA   GLY  10          1HA       GLY  10  -9.764  -3.916   2.061
   72    HA   PRO  11           HA       PRO  11 -13.339  -4.578  -0.508
   73   1HB   PRO  11          2HB       PRO  11 -14.795  -2.438   0.255
   74   2HB   PRO  11          1HB       PRO  11 -14.554  -3.839   1.309
   75   1HG   PRO  11          2HG       PRO  11 -13.149  -1.195   1.320
   76   2HG   PRO  11          1HG       PRO  11 -13.751  -2.145   2.689
   77   1HD   PRO  11          2HD       PRO  11 -11.138  -2.124   1.926
   78   2HD   PRO  11          1HD       PRO  11 -11.910  -3.519   2.707
   79    H    GLY  12           H        GLY  12 -11.490  -1.612  -0.519
   80   1HA   GLY  12          2HA       GLY  12 -10.817  -0.882  -2.802
   81   2HA   GLY  12          1HA       GLY  12 -12.511  -1.045  -3.236
   82    H    ARG  13           H        ARG  13 -11.184   0.351  -0.272
   83    HA   ARG  13           HA       ARG  13 -12.196   2.977  -1.138
   84   1HB   ARG  13          2HB       ARG  13 -13.251   1.407   0.911
   85   2HB   ARG  13          1HB       ARG  13 -12.275   2.610   1.742
   86   1HG   ARG  13          2HG       ARG  13 -13.523   4.277   0.155
   87   2HG   ARG  13          1HG       ARG  13 -14.705   2.971   0.062
   88   1HD   ARG  13          2HD       ARG  13 -15.547   3.604   2.015
   89   2HD   ARG  13          1HD       ARG  13 -13.993   3.287   2.786
   90    HE   ARG  13           HE       ARG  13 -13.643   5.736   1.706
   91   1HH1  ARG  13          1HH1      ARG  13 -16.118   4.382   3.763
   92   2HH1  ARG  13          2HH1      ARG  13 -16.472   5.890   4.538
   93   1HH2  ARG  13          1HH2      ARG  13 -14.107   7.716   2.727
   94   2HH2  ARG  13          2HH2      ARG  13 -15.330   7.781   3.951
   95    H    ALA  14           H        ALA  14 -10.003   1.257   1.054
   96    HA   ALA  14           HA       ALA  14  -8.436   3.672   1.481
   97   1HB   ALA  14          1HB       ALA  14  -7.810   0.921   2.525
   98   2HB   ALA  14          2HB       ALA  14  -8.968   1.999   3.307
   99   3HB   ALA  14          3HB       ALA  14  -7.278   2.481   3.158
  100    H    PHE  15           H        PHE  15  -6.988   4.230  -0.002
  101    HA   PHE  15           HA       PHE  15  -5.389   2.105  -1.265
  102   1HB   PHE  15          2HB       PHE  15  -7.164   3.813  -2.566
  103   2HB   PHE  15          1HB       PHE  15  -5.584   4.521  -2.872
  104    HD1  PHE  15           1HD      PHE  15  -3.786   2.377  -3.242
  105    HD2  PHE  15           2HD      PHE  15  -7.884   2.602  -4.367
  106    HE1  PHE  15           1HE      PHE  15  -3.386   0.719  -5.016
  107    HE2  PHE  15           2HE      PHE  15  -7.491   0.945  -6.142
  108    HZ   PHE  15           HZ       PHE  15  -5.241   0.000  -6.469
  109    H    TYR  16           H        TYR  16  -3.686   2.342   0.179
  110    HA   TYR  16           HA       TYR  16  -2.308   4.944   0.119
  111   1HB   TYR  16          2HB       TYR  16  -2.512   2.820   2.228
  112   2HB   TYR  16          1HB       TYR  16  -1.122   3.910   2.203
  113    HD1  TYR  16           1HD      TYR  16  -4.584   3.520   3.102
  114    HD2  TYR  16           2HD      TYR  16  -1.532   6.392   2.382
  115    HE1  TYR  16           1HE      TYR  16  -5.900   5.212   4.310
  116    HE2  TYR  16           2HE      TYR  16  -2.837   8.092   3.588
  117    HH   TYR  16           HH       TYR  16  -5.441   7.357   5.555
  118    H    THR  17           H        THR  17  -0.481   5.031  -0.993
  119    HA   THR  17           HA       THR  17   1.060   2.550  -1.372
  120    HB   THR  17           HB       THR  17   1.520   3.087  -3.618
  121    HG1  THR  17           1HG      THR  17   0.363   5.635  -3.155
  122   1HG2  THR  17          1HG2      THR  17  -1.321   4.010  -3.270
  123   2HG2  THR  17          2HG2      THR  17  -0.811   2.321  -3.297
  124   3HG2  THR  17          3HG2      THR  17  -0.585   3.332  -4.723
  125    H    THR  18           H        THR  18   2.761   2.779  -0.064
  126    HA   THR  18           HA       THR  18   4.576   4.992  -0.555
  127    HB   THR  18           HB       THR  18   4.810   5.575   1.803
  128    HG1  THR  18           1HG      THR  18   2.753   3.666   2.187
  129   1HG2  THR  18          1HG2      THR  18   3.052   6.730   0.427
  130   2HG2  THR  18          2HG2      THR  18   2.814   6.772   2.174
  131   3HG2  THR  18          3HG2      THR  18   1.875   5.656   1.181
  132    H    GLY  19           H        GLY  19   6.518   4.132  -0.833
  133   1HA   GLY  19          2HA       GLY  19   7.152   1.454  -0.356
  134   2HA   GLY  19          1HA       GLY  19   8.324   2.727  -0.657
  135    H    GLU  20           H        GLU  20   8.194   0.360   1.238
  136    HA   GLU  20           HA       GLU  20   8.169   1.560   3.859
  137   1HB   GLU  20          2HB       GLU  20   7.457  -0.792   3.445
  138   2HB   GLU  20          1HB       GLU  20   9.127  -1.190   3.031
  139   1HG   GLU  20          2HG       GLU  20   8.522  -1.829   5.326
  140   2HG   GLU  20          1HG       GLU  20   9.853  -0.674   5.265
  141    H    ILE  21           H        ILE  21   9.918   1.961   5.188
  142    HA   ILE  21           HA       ILE  21  12.607   1.571   4.112
  143    HB   ILE  21           HB       ILE  21  11.697   4.265   5.121
  144   1HG1  ILE  21          2HG1      ILE  21  10.682   3.694   2.926
  145   2HG1  ILE  21          1HG1      ILE  21  11.812   5.041   2.823
  146   1HG2  ILE  21          1HG2      ILE  21  14.295   3.126   4.229
  147   2HG2  ILE  21          2HG2      ILE  21  13.944   4.241   5.549
  148   3HG2  ILE  21          3HG2      ILE  21  13.950   4.821   3.884
  149   1HD1  ILE  21          1HD1      ILE  21  11.810   3.061   1.077
  150   2HD1  ILE  21          2HD1      ILE  21  12.863   2.325   2.287
  151   3HD1  ILE  21          3HD1      ILE  21  13.297   3.875   1.566
  Start of MODEL    6
    1   1H    THR   3          1H        THR   3  10.007  -5.491   5.726
    2    HA   THR   3           HA       THR   3   9.770  -2.593   5.615
    3    HB   THR   3           HB       THR   3  12.386  -2.876   5.718
    4    HG1  THR   3           1HG      THR   3  13.047  -4.834   5.992
    5   1HG2  THR   3          1HG2      THR   3  10.385  -2.686   7.707
    6   2HG2  THR   3          2HG2      THR   3  12.067  -2.160   7.777
    7   3HG2  THR   3          3HG2      THR   3  11.631  -3.792   8.287
    8    H    ARG   4           H        ARG   4   8.816  -3.460   3.311
    9    HA   ARG   4           HA       ARG   4  10.899  -2.706   1.404
   10   1HB   ARG   4          2HB       ARG   4   9.928  -4.455  -0.192
   11   2HB   ARG   4          1HB       ARG   4  10.968  -5.033   1.111
   12   1HG   ARG   4          2HG       ARG   4   9.260  -6.545   1.220
   13   2HG   ARG   4          1HG       ARG   4   8.695  -5.338   2.376
   14   1HD   ARG   4          2HD       ARG   4   6.831  -5.102   1.198
   15   2HD   ARG   4          1HD       ARG   4   7.785  -4.537  -0.179
   16    HE   ARG   4           HE       ARG   4   6.694  -7.202   0.229
   17   1HH1  ARG   4          1HH1      ARG   4   8.807  -5.145  -1.649
   18   2HH1  ARG   4          2HH1      ARG   4   8.832  -6.210  -3.011
   19   1HH2  ARG   4          1HH2      ARG   4   6.732  -8.597  -1.566
   20   2HH2  ARG   4          2HH2      ARG   4   7.656  -8.168  -2.967
   21    H    LYS   5           H        LYS   5   7.446  -3.310   1.945
   22    HA   LYS   5           HA       LYS   5   6.741  -0.825   0.722
   23   1HB   LYS   5          2HB       LYS   5   7.119  -2.301  -1.265
   24   2HB   LYS   5          1HB       LYS   5   5.823  -3.337  -0.681
   25   1HG   LYS   5          2HG       LYS   5   4.249  -1.469  -0.867
   26   2HG   LYS   5          1HG       LYS   5   5.557  -0.445  -1.484
   27   1HD   LYS   5          2HD       LYS   5   4.986  -3.045  -2.835
   28   2HD   LYS   5          1HD       LYS   5   3.913  -1.672  -3.128
   29   1HE   LYS   5          2HE       LYS   5   5.417  -1.276  -4.781
   30   2HE   LYS   5          1HE       LYS   5   6.250  -0.442  -3.470
   31   1HZ   LYS   5          1HZ       LYS   5   6.952  -2.902  -4.843
   32   2HZ   LYS   5          2HZ       LYS   5   7.200  -2.909  -3.170
   33   3HZ   LYS   5          3HZ       LYS   5   7.950  -1.736  -4.131
   34    H    SER   6           H        SER   6   4.469  -0.344   0.910
   35    HA   SER   6           HA       SER   6   2.956  -2.178   2.633
   36   1HB   SER   6          2HB       SER   6   2.183  -0.164   3.948
   37   2HB   SER   6          1HB       SER   6   3.878  -0.592   4.180
   38    HG   SER   6           HG       SER   6   4.110   1.470   3.734
   39    H    ILE   7           H        ILE   7   1.555  -2.739   0.997
   40    HA   ILE   7           HA       ILE   7  -0.026  -0.555  -0.189
   41    HB   ILE   7           HB       ILE   7   0.237  -3.373  -1.237
   42   1HG1  ILE   7          2HG1      ILE   7   2.398  -2.164  -1.299
   43   2HG1  ILE   7          1HG1      ILE   7   1.762  -2.483  -2.909
   44   1HG2  ILE   7          1HG2      ILE   7  -1.390  -1.065  -1.951
   45   2HG2  ILE   7          2HG2      ILE   7  -1.568  -2.762  -2.399
   46   3HG2  ILE   7          3HG2      ILE   7  -0.478  -1.718  -3.310
   47   1HD1  ILE   7          1HD1      ILE   7   0.757  -0.065  -2.609
   48   2HD1  ILE   7          2HD1      ILE   7   2.413  -0.321  -3.160
   49   3HD1  ILE   7          3HD1      ILE   7   2.098   0.088  -1.473
   50    H    HIS   8           H        HIS   8  -1.631  -0.316   1.318
   51    HA   HIS   8           HA       HIS   8  -3.136  -2.685   2.150
   52   1HB   HIS   8          2HB       HIS   8  -3.389   0.179   3.090
   53   2HB   HIS   8          1HB       HIS   8  -4.188  -1.222   3.797
   54    HD1  HIS   8           1HD      HIS   8  -2.870  -0.215   5.978
   55    HD2  HIS   8           2HD      HIS   8  -0.580  -2.089   3.062
   56    HE1  HIS   8           1HE      HIS   8  -0.689  -0.778   7.097
   57    HE2  HIS   8           2HE      HIS   8   0.713  -1.834   5.288
   58    H    ILE   9           H        ILE   9  -4.152  -3.067   0.120
   59    HA   ILE   9           HA       ILE   9  -6.095  -1.040  -0.735
   60    HB   ILE   9           HB       ILE   9  -5.328  -3.567  -2.192
   61   1HG1  ILE   9          2HG1      ILE   9  -3.369  -2.096  -1.893
   62   2HG1  ILE   9          1HG1      ILE   9  -3.873  -2.176  -3.579
   63   1HG2  ILE   9          1HG2      ILE   9  -6.682  -2.906  -3.872
   64   2HG2  ILE   9          2HG2      ILE   9  -6.347  -1.194  -3.615
   65   3HG2  ILE   9          3HG2      ILE   9  -7.502  -2.032  -2.579
   66   1HD1  ILE   9          1HD1      ILE   9  -5.259  -0.011  -2.667
   67   2HD1  ILE   9          2HD1      ILE   9  -3.719   0.044  -3.525
   68   3HD1  ILE   9          3HD1      ILE   9  -3.751   0.096  -1.762
   69    H    GLY  10           H        GLY  10  -8.261  -1.396  -0.700
   70   1HA   GLY  10          2HA       GLY  10  -9.170  -4.028   0.290
   71   2HA   GLY  10          1HA       GLY  10  -9.804  -2.526   0.941
   72    HA   PRO  11           HA       PRO  11 -12.858  -3.732  -2.244
   73   1HB   PRO  11          2HB       PRO  11 -14.910  -2.328  -1.135
   74   2HB   PRO  11          1HB       PRO  11 -14.458  -3.956  -0.617
   75   1HG   PRO  11          2HG       PRO  11 -13.770  -1.314   0.614
   76   2HG   PRO  11          1HG       PRO  11 -14.274  -2.821   1.405
   77   1HD   PRO  11          2HD       PRO  11 -11.692  -2.041   1.300
   78   2HD   PRO  11          1HD       PRO  11 -12.167  -3.752   1.257
   79    H    GLY  12           H        GLY  12 -11.843  -0.620  -1.047
   80   1HA   GLY  12          2HA       GLY  12 -11.222   0.863  -3.021
   81   2HA   GLY  12          1HA       GLY  12 -12.906   0.662  -3.482
   82    H    ARG  13           H        ARG  13 -10.827   1.838  -0.860
   83    HA   ARG  13           HA       ARG  13 -12.513   4.163  -0.554
   84   1HB   ARG  13          2HB       ARG  13 -12.332   2.030   1.551
   85   2HB   ARG  13          1HB       ARG  13 -12.604   3.708   1.999
   86   1HG   ARG  13          2HG       ARG  13 -14.608   3.735   0.560
   87   2HG   ARG  13          1HG       ARG  13 -14.350   2.023   0.217
   88   1HD   ARG  13          2HD       ARG  13 -14.747   3.177   2.975
   89   2HD   ARG  13          1HD       ARG  13 -16.027   2.452   2.003
   90    HE   ARG  13           HE       ARG  13 -13.753   0.737   2.390
   91   1HH1  ARG  13          1HH1      ARG  13 -16.792   1.806   3.731
   92   2HH1  ARG  13          2HH1      ARG  13 -17.024   0.371   4.675
   93   1HH2  ARG  13          1HH2      ARG  13 -14.055  -1.151   3.628
   94   2HH2  ARG  13          2HH2      ARG  13 -15.470  -1.308   4.617
   95    H    ALA  14           H        ALA  14  -9.869   2.285   0.908
   96    HA   ALA  14           HA       ALA  14  -8.413   4.814   1.318
   97   1HB   ALA  14          1HB       ALA  14  -9.062   3.045   3.241
   98   2HB   ALA  14          2HB       ALA  14  -7.637   4.082   3.305
   99   3HB   ALA  14          3HB       ALA  14  -7.490   2.412   2.754
  100    H    PHE  15           H        PHE  15  -6.433   5.075   0.437
  101    HA   PHE  15           HA       PHE  15  -5.114   2.762  -0.790
  102   1HB   PHE  15          2HB       PHE  15  -6.572   4.300  -2.388
  103   2HB   PHE  15          1HB       PHE  15  -5.139   5.322  -2.327
  104    HD1  PHE  15           1HD      PHE  15  -2.940   3.469  -2.329
  105    HD2  PHE  15           2HD      PHE  15  -6.631   3.262  -4.437
  106    HE1  PHE  15           1HE      PHE  15  -1.873   2.075  -4.055
  107    HE2  PHE  15           2HE      PHE  15  -5.572   1.869  -6.165
  108    HZ   PHE  15           HZ       PHE  15  -3.189   1.271  -5.974
  109    H    TYR  16           H        TYR  16  -4.113   3.470   1.457
  110    HA   TYR  16           HA       TYR  16  -2.113   5.569   1.083
  111   1HB   TYR  16          2HB       TYR  16  -2.934   3.982   3.524
  112   2HB   TYR  16          1HB       TYR  16  -1.641   5.188   3.514
  113    HD1  TYR  16           1HD      TYR  16  -5.212   4.943   2.407
  114    HD2  TYR  16           2HD      TYR  16  -2.207   7.264   4.325
  115    HE1  TYR  16           1HE      TYR  16  -6.867   6.707   2.853
  116    HE2  TYR  16           2HE      TYR  16  -3.852   9.034   4.777
  117    HH   TYR  16           HH       TYR  16  -7.131   8.594   4.565
  118    H    THR  17           H        THR  17  -0.025   5.161   0.705
  119    HA   THR  17           HA       THR  17   1.099   2.555   1.367
  120    HB   THR  17           HB       THR  17   1.897   2.079  -0.826
  121    HG1  THR  17           1HG      THR  17   2.440   3.896  -1.797
  122   1HG2  THR  17          1HG2      THR  17  -0.872   3.073  -1.387
  123   2HG2  THR  17          2HG2      THR  17  -0.565   1.640  -0.406
  124   3HG2  THR  17          3HG2      THR  17  -0.032   1.690  -2.087
  125    H    THR  18           H        THR  18   3.380   2.527   1.480
  126    HA   THR  18           HA       THR  18   4.745   5.097   1.149
  127    HB   THR  18           HB       THR  18   5.881   4.694   3.381
  128    HG1  THR  18           1HG      THR  18   4.689   3.380   4.834
  129   1HG2  THR  18          1HG2      THR  18   2.981   5.046   3.921
  130   2HG2  THR  18          2HG2      THR  18   3.819   6.233   2.920
  131   3HG2  THR  18          3HG2      THR  18   4.370   5.922   4.566
  132    H    GLY  19           H        GLY  19   7.173   4.811   1.497
  133   1HA   GLY  19          2HA       GLY  19   8.054   2.702  -0.219
  134   2HA   GLY  19          1HA       GLY  19   9.075   3.884   0.581
  135    H    GLU  20           H        GLU  20  10.619   2.301   1.086
  136    HA   GLU  20           HA       GLU  20   9.827   0.084   2.792
  137   1HB   GLU  20          2HB       GLU  20  12.657   0.798   2.056
  138   2HB   GLU  20          1HB       GLU  20  11.995  -0.783   2.474
  139   1HG   GLU  20          2HG       GLU  20  11.685  -1.229   0.334
  140   2HG   GLU  20          1HG       GLU  20  10.618   0.166   0.181
  141    H    ILE  21           H        ILE  21  10.680  -0.272   4.886
  142    HA   ILE  21           HA       ILE  21  11.129   2.202   6.360
  143    HB   ILE  21           HB       ILE  21  10.801  -0.574   7.490
  144   1HG1  ILE  21          2HG1      ILE  21   8.860   0.052   6.087
  145   2HG1  ILE  21          1HG1      ILE  21   8.443  -0.054   7.795
  146   1HG2  ILE  21          1HG2      ILE  21  11.061   2.135   8.613
  147   2HG2  ILE  21          2HG2      ILE  21  11.494   0.572   9.305
  148   3HG2  ILE  21          3HG2      ILE  21   9.818   1.118   9.340
  149   1HD1  ILE  21          1HD1      ILE  21   7.370   1.859   6.853
  150   2HD1  ILE  21          2HD1      ILE  21   8.892   2.445   6.186
  151   3HD1  ILE  21          3HD1      ILE  21   8.649   2.414   7.933
  Start of MODEL    7
    1   1H    THR   3          1H        THR   3  13.274  -4.665  -3.914
    2    HA   THR   3           HA       THR   3  11.937  -2.071  -4.338
    3    HB   THR   3           HB       THR   3  11.373  -2.852  -6.601
    4    HG1  THR   3           1HG      THR   3  12.835  -5.137  -5.804
    5   1HG2  THR   3          1HG2      THR   3  14.196  -2.630  -5.759
    6   2HG2  THR   3          2HG2      THR   3  13.266  -1.658  -6.902
    7   3HG2  THR   3          3HG2      THR   3  13.877  -3.243  -7.383
    8    H    ARG   4           H        ARG   4  10.833  -3.027  -2.309
    9    HA   ARG   4           HA       ARG   4   8.630  -4.790  -3.124
   10   1HB   ARG   4          2HB       ARG   4   8.425  -5.511  -0.881
   11   2HB   ARG   4          1HB       ARG   4  10.146  -5.555  -1.265
   12   1HG   ARG   4          2HG       ARG   4   9.618  -3.005  -0.209
   13   2HG   ARG   4          1HG       ARG   4   8.783  -4.163   0.821
   14   1HD   ARG   4          2HD       ARG   4  10.820  -5.399   1.169
   15   2HD   ARG   4          1HD       ARG   4  11.679  -4.380   0.007
   16    HE   ARG   4           HE       ARG   4  11.917  -2.782   1.635
   17   1HH1  ARG   4          1HH1      ARG   4   9.541  -5.115   2.676
   18   2HH1  ARG   4          2HH1      ARG   4   9.439  -4.482   4.283
   19   1HH2  ARG   4          1HH2      ARG   4  11.785  -1.946   3.749
   20   2HH2  ARG   4          2HH2      ARG   4  10.712  -2.681   4.892
   21    H    LYS   5           H        LYS   5   6.908  -4.230  -0.969
   22    HA   LYS   5           HA       LYS   5   6.397  -1.490  -0.594
   23   1HB   LYS   5          2HB       LYS   5   5.880  -2.062  -3.155
   24   2HB   LYS   5          1HB       LYS   5   4.340  -2.548  -2.459
   25   1HG   LYS   5          2HG       LYS   5   3.987  -0.353  -1.554
   26   2HG   LYS   5          1HG       LYS   5   5.606   0.157  -2.065
   27   1HD   LYS   5          2HD       LYS   5   5.018   0.195  -4.311
   28   2HD   LYS   5          1HD       LYS   5   3.637  -0.879  -4.072
   29   1HE   LYS   5          2HE       LYS   5   2.260   0.809  -3.489
   30   2HE   LYS   5          1HE       LYS   5   3.522   1.672  -2.610
   31   1HZ   LYS   5          1HZ       LYS   5   4.444   2.290  -4.837
   32   2HZ   LYS   5          2HZ       LYS   5   2.946   2.984  -4.471
   33   3HZ   LYS   5          3HZ       LYS   5   3.032   1.672  -5.535
   34    H    SER   6           H        SER   6   4.632  -1.112   0.750
   35    HA   SER   6           HA       SER   6   3.233  -3.533   1.683
   36   1HB   SER   6          2HB       SER   6   3.743  -1.130   3.424
   37   2HB   SER   6          1HB       SER   6   3.351  -2.779   3.912
   38    HG   SER   6           HG       SER   6   5.416  -3.408   3.173
   39    H    ILE   7           H        ILE   7   1.326  -3.359   0.605
   40    HA   ILE   7           HA       ILE   7  -0.135  -0.818   0.817
   41    HB   ILE   7           HB       ILE   7  -0.693  -3.116  -1.057
   42   1HG1  ILE   7          2HG1      ILE   7   1.482  -2.007  -1.513
   43   2HG1  ILE   7          1HG1      ILE   7   0.313  -1.756  -2.804
   44   1HG2  ILE   7          1HG2      ILE   7  -2.383  -1.115  -0.256
   45   2HG2  ILE   7          2HG2      ILE   7  -2.508  -2.020  -1.764
   46   3HG2  ILE   7          3HG2      ILE   7  -1.690  -0.458  -1.738
   47   1HD1  ILE   7          1HD1      ILE   7   1.792   0.175  -1.449
   48   2HD1  ILE   7          2HD1      ILE   7   0.134   0.359  -0.877
   49   3HD1  ILE   7          3HD1      ILE   7   0.485   0.435  -2.604
   50    H    HIS   8           H        HIS   8  -1.966  -0.670   1.934
   51    HA   HIS   8           HA       HIS   8  -3.172  -3.164   2.943
   52   1HB   HIS   8          2HB       HIS   8  -2.343  -0.700   4.353
   53   2HB   HIS   8          1HB       HIS   8  -3.905  -1.360   4.826
   54    HD1  HIS   8           1HD      HIS   8  -3.464  -2.507   6.981
   55    HD2  HIS   8           2HD      HIS   8  -0.568  -3.379   4.133
   56    HE1  HIS   8           1HE      HIS   8  -1.979  -4.237   8.040
   57    HE2  HIS   8           2HE      HIS   8  -0.181  -4.682   6.332
   58    H    ILE   9           H        ILE   9  -4.745  -3.248   1.335
   59    HA   ILE   9           HA       ILE   9  -6.717  -1.056   1.383
   60    HB   ILE   9           HB       ILE   9  -6.361  -3.010  -0.884
   61   1HG1  ILE   9          2HG1      ILE   9  -4.282  -1.771  -0.673
   62   2HG1  ILE   9          1HG1      ILE   9  -5.176  -1.179  -2.070
   63   1HG2  ILE   9          1HG2      ILE   9  -7.479  -0.310  -1.284
   64   2HG2  ILE   9          2HG2      ILE   9  -8.463  -1.431  -0.340
   65   3HG2  ILE   9          3HG2      ILE   9  -7.965  -1.858  -1.977
   66   1HD1  ILE   9          1HD1      ILE   9  -4.663   0.824  -1.207
   67   2HD1  ILE   9          2HD1      ILE   9  -4.434   0.182   0.420
   68   3HD1  ILE   9          3HD1      ILE   9  -6.060   0.517  -0.174
   69    H    GLY  10           H        GLY  10  -8.805  -1.530   1.823
   70   1HA   GLY  10          2HA       GLY  10  -9.578  -4.369   1.968
   71   2HA   GLY  10          1HA       GLY  10  -9.858  -3.310   3.344
   72    HA   PRO  11           HA       PRO  11 -13.530  -3.532   0.234
   73   1HB   PRO  11          2HB       PRO  11 -14.839  -4.129   2.845
   74   2HB   PRO  11          1HB       PRO  11 -15.167  -4.799   1.242
   75   1HG   PRO  11          2HG       PRO  11 -13.846  -6.222   3.061
   76   2HG   PRO  11          1HG       PRO  11 -13.384  -6.278   1.350
   77   1HD   PRO  11          2HD       PRO  11 -12.062  -4.876   3.628
   78   2HD   PRO  11          1HD       PRO  11 -11.337  -5.658   2.209
   79    H    GLY  12           H        GLY  12 -13.383  -1.299  -0.046
   80   1HA   GLY  12          2HA       GLY  12 -15.294   0.338   0.986
   81   2HA   GLY  12          1HA       GLY  12 -13.960   0.518   2.113
   82    H    ARG  13           H        ARG  13 -12.609   2.128   1.704
   83    HA   ARG  13           HA       ARG  13 -11.784   2.750  -0.987
   84   1HB   ARG  13          2HB       ARG  13 -13.958   4.182   0.183
   85   2HB   ARG  13          1HB       ARG  13 -12.579   5.269   0.078
   86   1HG   ARG  13          2HG       ARG  13 -13.560   3.642  -2.248
   87   2HG   ARG  13          1HG       ARG  13 -14.132   5.274  -1.894
   88   1HD   ARG  13          2HD       ARG  13 -12.421   5.588  -3.455
   89   2HD   ARG  13          1HD       ARG  13 -11.664   5.941  -1.902
   90    HE   ARG  13           HE       ARG  13 -10.304   4.116  -2.181
   91   1HH1  ARG  13          1HH1      ARG  13 -12.917   3.956  -4.491
   92   2HH1  ARG  13          2HH1      ARG  13 -12.229   2.627  -5.364
   93   1HH2  ARG  13          1HH2      ARG  13  -9.400   2.369  -3.327
   94   2HH2  ARG  13          2HH2      ARG  13 -10.233   1.726  -4.703
   95    H    ALA  14           H        ALA  14  -9.765   2.151  -0.062
   96    HA   ALA  14           HA       ALA  14  -8.517   4.345   1.431
   97   1HB   ALA  14          1HB       ALA  14  -8.740   1.518   2.280
   98   2HB   ALA  14          2HB       ALA  14  -8.660   2.992   3.247
   99   3HB   ALA  14          3HB       ALA  14  -7.189   2.316   2.546
  100    H    PHE  15           H        PHE  15  -6.264   4.568   1.107
  101    HA   PHE  15           HA       PHE  15  -4.966   2.829  -0.825
  102   1HB   PHE  15          2HB       PHE  15  -6.244   5.127  -1.726
  103   2HB   PHE  15          1HB       PHE  15  -4.557   5.610  -1.589
  104    HD1  PHE  15           1HD      PHE  15  -3.138   3.167  -2.307
  105    HD2  PHE  15           2HD      PHE  15  -6.658   4.874  -3.983
  106    HE1  PHE  15           1HE      PHE  15  -2.648   2.063  -4.450
  107    HE2  PHE  15           2HE      PHE  15  -6.175   3.771  -6.128
  108    HZ   PHE  15           HZ       PHE  15  -4.166   2.364  -6.365
  109    H    TYR  16           H        TYR  16  -3.399   2.295   0.630
  110    HA   TYR  16           HA       TYR  16  -1.707   4.500   1.613
  111   1HB   TYR  16          2HB       TYR  16  -2.677   2.013   2.928
  112   2HB   TYR  16          1HB       TYR  16  -1.027   2.528   3.295
  113    HD1  TYR  16           1HD      TYR  16  -4.217   4.413   2.776
  114    HD2  TYR  16           2HD      TYR  16  -0.981   3.510   5.385
  115    HE1  TYR  16           1HE      TYR  16  -5.096   6.023   4.414
  116    HE2  TYR  16           2HE      TYR  16  -1.850   5.116   7.030
  117    HH   TYR  16           HH       TYR  16  -3.335   7.212   6.951
  118    H    THR  17           H        THR  17  -0.101   4.594   0.146
  119    HA   THR  17           HA       THR  17   1.280   2.088  -0.540
  120    HB   THR  17           HB       THR  17   1.928   3.032  -2.608
  121    HG1  THR  17           1HG      THR  17   1.561   5.231  -3.084
  122   1HG2  THR  17          1HG2      THR  17  -0.834   3.058  -1.913
  123   2HG2  THR  17          2HG2      THR  17  -0.076   2.714  -3.467
  124   3HG2  THR  17          3HG2      THR  17  -0.498   4.372  -3.041
  125    H    THR  18           H        THR  18   2.611   2.063   1.277
  126    HA   THR  18           HA       THR  18   4.938   3.784   1.048
  127    HB   THR  18           HB       THR  18   4.928   4.415   3.415
  128    HG1  THR  18           1HG      THR  18   2.478   3.004   3.436
  129   1HG2  THR  18          1HG2      THR  18   2.213   5.201   2.468
  130   2HG2  THR  18          2HG2      THR  18   3.651   5.779   1.625
  131   3HG2  THR  18          3HG2      THR  18   3.421   6.149   3.336
  132    H    GLY  19           H        GLY  19   6.807   2.788   1.698
  133   1HA   GLY  19          2HA       GLY  19   7.248   0.862   3.551
  134   2HA   GLY  19          1HA       GLY  19   6.649  -0.035   2.167
  135    H    GLU  20           H        GLU  20   7.783   0.642   0.033
  136    HA   GLU  20           HA       GLU  20  10.630   1.140   0.499
  137   1HB   GLU  20          2HB       GLU  20  10.403  -1.268   0.454
  138   2HB   GLU  20          1HB       GLU  20   9.483  -1.188  -1.047
  139   1HG   GLU  20          2HG       GLU  20  12.129  -1.723  -0.868
  140   2HG   GLU  20          1HG       GLU  20  11.326  -1.100  -2.303
  141    H    ILE  21           H        ILE  21   9.285   0.008  -2.538
  142    HA   ILE  21           HA       ILE  21   9.136   2.718  -3.573
  143    HB   ILE  21           HB       ILE  21  11.482   2.131  -3.911
  144   1HG1  ILE  21          2HG1      ILE  21  10.340   1.909  -6.653
  145   2HG1  ILE  21          1HG1      ILE  21   9.883   3.308  -5.686
  146   1HG2  ILE  21          1HG2      ILE  21  10.922  -0.374  -4.076
  147   2HG2  ILE  21          2HG2      ILE  21  12.236   0.261  -5.065
  148   3HG2  ILE  21          3HG2      ILE  21  10.658  -0.050  -5.788
  149   1HD1  ILE  21          1HD1      ILE  21  11.862   3.588  -7.227
  150   2HD1  ILE  21          2HD1      ILE  21  12.744   2.524  -6.131
  151   3HD1  ILE  21          3HD1      ILE  21  12.105   4.059  -5.544
  Start of MODEL    8
    1   1H    THR   3          1H        THR   3  15.284  -0.644   0.844
    2    HA   THR   3           HA       THR   3  13.003   0.869   1.843
    3    HB   THR   3           HB       THR   3  14.526   1.255  -0.743
    4    HG1  THR   3           1HG      THR   3  14.979   2.399   1.811
    5   1HG2  THR   3          1HG2      THR   3  12.500   2.483  -0.817
    6   2HG2  THR   3          2HG2      THR   3  13.796   3.623  -0.452
    7   3HG2  THR   3          3HG2      THR   3  12.722   3.067   0.831
    8    H    ARG   4           H        ARG   4  11.827  -1.248   1.659
    9    HA   ARG   4           HA       ARG   4  11.026  -1.992  -1.028
   10   1HB   ARG   4          2HB       ARG   4   9.598  -3.292   1.170
   11   2HB   ARG   4          1HB       ARG   4  10.500  -3.997  -0.171
   12   1HG   ARG   4          2HG       ARG   4  12.514  -3.025   1.377
   13   2HG   ARG   4          1HG       ARG   4  11.321  -3.493   2.589
   14   1HD   ARG   4          2HD       ARG   4  12.917  -5.292   2.035
   15   2HD   ARG   4          1HD       ARG   4  11.235  -5.731   1.706
   16    HE   ARG   4           HE       ARG   4  12.252  -4.720  -0.656
   17   1HH1  ARG   4          1HH1      ARG   4  12.966  -7.382   1.487
   18   2HH1  ARG   4          2HH1      ARG   4  13.590  -8.392   0.226
   19   1HH2  ARG   4          1HH2      ARG   4  13.073  -6.047  -2.314
   20   2HH2  ARG   4          2HH2      ARG   4  13.653  -7.634  -1.932
   21    H    LYS   5           H        LYS   5   8.553  -2.565  -1.183
   22    HA   LYS   5           HA       LYS   5   7.111  -0.110  -0.452
   23   1HB   LYS   5          2HB       LYS   5   7.114  -1.865  -2.821
   24   2HB   LYS   5          1HB       LYS   5   5.521  -1.330  -2.303
   25   1HG   LYS   5          2HG       LYS   5   7.465   0.833  -2.355
   26   2HG   LYS   5          1HG       LYS   5   7.251   0.053  -3.931
   27   1HD   LYS   5          2HD       LYS   5   4.818   0.725  -2.356
   28   2HD   LYS   5          1HD       LYS   5   5.697   2.045  -3.128
   29   1HE   LYS   5          2HE       LYS   5   5.363   1.174  -5.270
   30   2HE   LYS   5          1HE       LYS   5   4.945  -0.419  -4.648
   31   1HZ   LYS   5          1HZ       LYS   5   3.286   1.946  -4.952
   32   2HZ   LYS   5          2HZ       LYS   5   3.026   1.044  -3.545
   33   3HZ   LYS   5          3HZ       LYS   5   2.869   0.310  -5.061
   34    H    SER   6           H        SER   6   5.039  -0.199   0.414
   35    HA   SER   6           HA       SER   6   3.959  -2.809   1.155
   36   1HB   SER   6          2HB       SER   6   5.241  -0.959   3.010
   37   2HB   SER   6          1HB       SER   6   3.580  -1.326   3.476
   38    HG   SER   6           HG       SER   6   5.494  -3.306   2.808
   39    H    ILE   7           H        ILE   7   1.869  -2.844   0.687
   40    HA   ILE   7           HA       ILE   7   0.298  -0.379   0.981
   41    HB   ILE   7           HB       ILE   7   0.008  -2.237  -1.377
   42   1HG1  ILE   7          2HG1      ILE   7   1.201   0.537  -1.415
   43   2HG1  ILE   7          1HG1      ILE   7   2.186  -0.918  -1.294
   44   1HG2  ILE   7          1HG2      ILE   7  -1.924  -1.194  -1.685
   45   2HG2  ILE   7          2HG2      ILE   7  -1.054   0.328  -1.871
   46   3HG2  ILE   7          3HG2      ILE   7  -1.630  -0.169  -0.282
   47   1HD1  ILE   7          1HD1      ILE   7   2.247  -0.791  -3.520
   48   2HD1  ILE   7          2HD1      ILE   7   0.829   0.253  -3.599
   49   3HD1  ILE   7          3HD1      ILE   7   0.631  -1.493  -3.446
   50    H    HIS   8           H        HIS   8  -1.803  -0.643   1.642
   51    HA   HIS   8           HA       HIS   8  -2.731  -3.400   2.081
   52   1HB   HIS   8          2HB       HIS   8  -2.329  -1.237   4.062
   53   2HB   HIS   8          1HB       HIS   8  -3.827  -2.149   4.212
   54    HD1  HIS   8           1HD      HIS   8  -3.049  -4.969   3.782
   55    HD2  HIS   8           2HD      HIS   8  -0.584  -2.310   5.811
   56    HE1  HIS   8           1HE      HIS   8  -1.542  -6.399   5.198
   57    HE2  HIS   8           2HE      HIS   8  -0.123  -4.763   6.487
   58    H    ILE   9           H        ILE   9  -4.647  -3.748   1.188
   59    HA   ILE   9           HA       ILE   9  -6.516  -1.486   0.916
   60    HB   ILE   9           HB       ILE   9  -6.197  -3.697  -1.114
   61   1HG1  ILE   9          2HG1      ILE   9  -5.489  -0.977  -1.941
   62   2HG1  ILE   9          1HG1      ILE   9  -4.416  -1.627  -0.706
   63   1HG2  ILE   9          1HG2      ILE   9  -7.501  -1.135  -1.777
   64   2HG2  ILE   9          2HG2      ILE   9  -8.373  -2.192  -0.668
   65   3HG2  ILE   9          3HG2      ILE   9  -7.909  -2.780  -2.265
   66   1HD1  ILE   9          1HD1      ILE   9  -3.881  -3.511  -2.086
   67   2HD1  ILE   9          2HD1      ILE   9  -3.642  -2.029  -3.012
   68   3HD1  ILE   9          3HD1      ILE   9  -5.076  -3.019  -3.289
   69    H    GLY  10           H        GLY  10  -8.490  -1.839   1.720
   70   1HA   GLY  10          2HA       GLY  10  -9.254  -4.637   2.295
   71   2HA   GLY  10          1HA       GLY  10  -9.628  -3.299   3.370
   72    HA   PRO  11           HA       PRO  11 -13.664  -2.926   1.643
   73   1HB   PRO  11          2HB       PRO  11 -13.132   0.004   1.581
   74   2HB   PRO  11          1HB       PRO  11 -14.487  -0.879   2.292
   75   1HG   PRO  11          2HG       PRO  11 -12.569   0.126   3.839
   76   2HG   PRO  11          1HG       PRO  11 -13.288  -1.456   4.193
   77   1HD   PRO  11          2HD       PRO  11 -10.638  -0.804   2.983
   78   2HD   PRO  11          1HD       PRO  11 -11.082  -2.120   4.089
   79    H    GLY  12           H        GLY  12 -10.927  -1.370   0.142
   80   1HA   GLY  12          2HA       GLY  12 -10.407  -1.423  -2.137
   81   2HA   GLY  12          1HA       GLY  12 -12.054  -1.933  -2.477
   82    H    ARG  13           H        ARG  13 -11.625   0.803  -0.420
   83    HA   ARG  13           HA       ARG  13 -12.461   2.552  -2.639
   84   1HB   ARG  13          2HB       ARG  13 -14.104   2.193  -0.758
   85   2HB   ARG  13          1HB       ARG  13 -12.963   3.007   0.304
   86   1HG   ARG  13          2HG       ARG  13 -13.104   5.006  -1.150
   87   2HG   ARG  13          1HG       ARG  13 -14.347   4.184  -2.097
   88   1HD   ARG  13          2HD       ARG  13 -15.518   5.551  -0.581
   89   2HD   ARG  13          1HD       ARG  13 -15.625   3.921   0.079
   90    HE   ARG  13           HE       ARG  13 -13.454   4.934   1.323
   91   1HH1  ARG  13          1HH1      ARG  13 -16.718   6.102   0.916
   92   2HH1  ARG  13          2HH1      ARG  13 -16.729   6.967   2.416
   93   1HH2  ARG  13          1HH2      ARG  13 -13.468   6.068   3.298
   94   2HH2  ARG  13          2HH2      ARG  13 -14.884   6.948   3.769
   95    H    ALA  14           H        ALA  14 -10.320   2.197   0.115
   96    HA   ALA  14           HA       ALA  14  -8.960   4.695  -0.648
   97   1HB   ALA  14          1HB       ALA  14  -8.264   3.423   1.918
   98   2HB   ALA  14          2HB       ALA  14  -9.899   4.067   1.794
   99   3HB   ALA  14          3HB       ALA  14  -8.513   5.124   1.522
  100    H    PHE  15           H        PHE  15  -6.897   4.646  -1.330
  101    HA   PHE  15           HA       PHE  15  -5.550   2.027  -1.365
  102   1HB   PHE  15          2HB       PHE  15  -6.203   3.596  -3.506
  103   2HB   PHE  15          1HB       PHE  15  -4.550   4.107  -3.193
  104    HD1  PHE  15           1HD      PHE  15  -3.149   1.758  -2.412
  105    HD2  PHE  15           2HD      PHE  15  -6.252   2.165  -5.295
  106    HE1  PHE  15           1HE      PHE  15  -2.310  -0.233  -3.589
  107    HE2  PHE  15           2HE      PHE  15  -5.420   0.174  -6.476
  108    HZ   PHE  15           HZ       PHE  15  -3.447  -1.028  -5.624
  109    H    TYR  16           H        TYR  16  -4.077   1.919   0.198
  110    HA   TYR  16           HA       TYR  16  -2.630   4.322   1.005
  111   1HB   TYR  16          2HB       TYR  16  -3.021   1.603   2.221
  112   2HB   TYR  16          1HB       TYR  16  -1.704   2.644   2.768
  113    HD1  TYR  16           1HD      TYR  16  -5.378   2.348   2.502
  114    HD2  TYR  16           2HD      TYR  16  -2.124   4.520   4.174
  115    HE1  TYR  16           1HE      TYR  16  -6.937   3.519   3.999
  116    HE2  TYR  16           2HE      TYR  16  -3.676   5.697   5.676
  117    HH   TYR  16           HH       TYR  16  -6.533   4.749   6.480
  118    H    THR  17           H        THR  17  -1.195   4.610  -0.694
  119    HA   THR  17           HA       THR  17   0.757   2.453  -1.137
  120    HB   THR  17           HB       THR  17   1.319   3.614  -3.233
  121    HG1  THR  17           1HG      THR  17   0.123   5.397  -3.869
  122   1HG2  THR  17          1HG2      THR  17  -1.659   3.261  -3.035
  123   2HG2  THR  17          2HG2      THR  17  -0.505   1.944  -3.252
  124   3HG2  THR  17          3HG2      THR  17  -0.667   3.190  -4.491
  125    H    THR  18           H        THR  18   2.498   2.678   0.099
  126    HA   THR  18           HA       THR  18   3.903   5.231   0.094
  127    HB   THR  18           HB       THR  18   4.232   5.181   2.536
  128    HG1  THR  18           1HG      THR  18   3.104   3.734   3.787
  129   1HG2  THR  18          1HG2      THR  18   2.111   6.223   1.346
  130   2HG2  THR  18          2HG2      THR  18   2.305   6.228   3.099
  131   3HG2  THR  18          3HG2      THR  18   1.287   5.014   2.328
  132    H    GLY  19           H        GLY  19   6.020   4.845   1.555
  133   1HA   GLY  19          2HA       GLY  19   7.333   2.582   0.278
  134   2HA   GLY  19          1HA       GLY  19   8.122   3.895   1.141
  135    H    GLU  20           H        GLU  20   9.178   1.614   1.731
  136    HA   GLU  20           HA       GLU  20   8.100   0.961   4.382
  137   1HB   GLU  20          2HB       GLU  20   7.887  -0.774   2.267
  138   2HB   GLU  20          1HB       GLU  20   9.399  -1.293   3.014
  139   1HG   GLU  20          2HG       GLU  20   7.201  -0.836   4.897
  140   2HG   GLU  20          1HG       GLU  20   6.924  -2.137   3.740
  141    H    ILE  21           H        ILE  21   9.623   1.944   5.596
  142    HA   ILE  21           HA       ILE  21  12.448   1.381   5.004
  143    HB   ILE  21           HB       ILE  21  11.378   3.494   6.870
  144   1HG1  ILE  21          2HG1      ILE  21  12.418   3.968   4.080
  145   2HG1  ILE  21          1HG1      ILE  21  10.704   3.728   4.409
  146   1HG2  ILE  21          1HG2      ILE  21  13.702   2.730   7.237
  147   2HG2  ILE  21          2HG2      ILE  21  13.599   4.423   6.751
  148   3HG2  ILE  21          3HG2      ILE  21  14.086   3.197   5.580
  149   1HD1  ILE  21          1HD1      ILE  21  10.886   6.016   4.407
  150   2HD1  ILE  21          2HD1      ILE  21  12.479   5.998   5.165
  151   3HD1  ILE  21          3HD1      ILE  21  11.040   5.646   6.124
  Start of MODEL    9
    1   1H    THR   3          1H        THR   3  14.934  -2.460  -1.591
    2    HA   THR   3           HA       THR   3  13.001  -0.728  -0.236
    3    HB   THR   3           HB       THR   3  14.542   0.379  -1.759
    4    HG1  THR   3           1HG      THR   3  11.971   0.254  -2.939
    5   1HG2  THR   3          1HG2      THR   3  13.666  -0.316  -4.304
    6   2HG2  THR   3          2HG2      THR   3  13.976  -1.847  -3.485
    7   3HG2  THR   3          3HG2      THR   3  15.249  -0.630  -3.593
    8    H    ARG   4           H        ARG   4  11.552  -2.542   0.170
    9    HA   ARG   4           HA       ARG   4  10.215  -3.643  -2.171
   10   1HB   ARG   4          2HB       ARG   4   9.127  -5.168  -0.653
   11   2HB   ARG   4          1HB       ARG   4  10.866  -5.163  -0.359
   12   1HG   ARG   4          2HG       ARG   4   9.610  -3.206   1.300
   13   2HG   ARG   4          1HG       ARG   4   8.792  -4.756   1.473
   14   1HD   ARG   4          2HD       ARG   4  11.513  -5.371   1.456
   15   2HD   ARG   4          1HD       ARG   4  11.374  -3.915   2.448
   16    HE   ARG   4           HE       ARG   4  10.522  -6.548   3.133
   17   1HH1  ARG   4          1HH1      ARG   4   9.776  -3.172   3.585
   18   2HH1  ARG   4          2HH1      ARG   4   8.996  -3.418   5.112
   19   1HH2  ARG   4          1HH2      ARG   4   9.498  -6.878   5.141
   20   2HH2  ARG   4          2HH2      ARG   4   8.840  -5.524   5.995
   21    H    LYS   5           H        LYS   5   7.860  -3.678  -2.279
   22    HA   LYS   5           HA       LYS   5   6.783  -1.069  -1.621
   23   1HB   LYS   5          2HB       LYS   5   6.215  -3.173  -3.554
   24   2HB   LYS   5          1HB       LYS   5   4.750  -2.543  -2.812
   25   1HG   LYS   5          2HG       LYS   5   6.851  -0.761  -4.008
   26   2HG   LYS   5          1HG       LYS   5   5.505  -1.430  -4.948
   27   1HD   LYS   5          2HD       LYS   5   3.904  -0.291  -3.619
   28   2HD   LYS   5          1HD       LYS   5   5.113   0.143  -2.409
   29   1HE   LYS   5          2HE       LYS   5   6.249   1.331  -4.467
   30   2HE   LYS   5          1HE       LYS   5   4.604   1.311  -5.097
   31   1HZ   LYS   5          1HZ       LYS   5   5.228   2.354  -2.403
   32   2HZ   LYS   5          2HZ       LYS   5   3.841   2.616  -3.332
   33   3HZ   LYS   5          3HZ       LYS   5   5.305   3.337  -3.779
   34    H    SER   6           H        SER   6   4.769  -0.754  -0.540
   35    HA   SER   6           HA       SER   6   3.745  -2.968   1.059
   36   1HB   SER   6          2HB       SER   6   5.518  -1.936   2.446
   37   2HB   SER   6          1HB       SER   6   4.693  -0.381   2.319
   38    HG   SER   6           HG       SER   6   3.506  -0.996   3.922
   39    H    ILE   7           H        ILE   7   1.722  -2.909   0.248
   40    HA   ILE   7           HA       ILE   7   0.227  -0.393   0.572
   41    HB   ILE   7           HB       ILE   7  -0.274  -2.362  -1.654
   42   1HG1  ILE   7          2HG1      ILE   7   1.067   0.324  -1.942
   43   2HG1  ILE   7          1HG1      ILE   7   1.981  -1.169  -1.758
   44   1HG2  ILE   7          1HG2      ILE   7  -1.136   0.442  -1.860
   45   2HG2  ILE   7          2HG2      ILE   7  -1.950  -0.513  -0.621
   46   3HG2  ILE   7          3HG2      ILE   7  -1.978  -1.043  -2.302
   47   1HD1  ILE   7          1HD1      ILE   7  -0.071  -0.878  -3.912
   48   2HD1  ILE   7          2HD1      ILE   7   1.304  -1.979  -3.822
   49   3HD1  ILE   7          3HD1      ILE   7   1.569  -0.260  -4.117
   50    H    HIS   8           H        HIS   8  -1.811  -0.542   1.398
   51    HA   HIS   8           HA       HIS   8  -2.722  -3.239   2.169
   52   1HB   HIS   8          2HB       HIS   8  -3.215  -0.679   3.701
   53   2HB   HIS   8          1HB       HIS   8  -3.623  -2.314   4.210
   54    HD1  HIS   8           1HD      HIS   8  -0.803   0.098   4.025
   55    HD2  HIS   8           2HD      HIS   8  -1.438  -3.859   5.126
   56    HE1  HIS   8           1HE      HIS   8   1.273  -0.596   5.265
   57    HE2  HIS   8           2HE      HIS   8   0.899  -3.018   5.850
   58    H    ILE   9           H        ILE   9  -4.080  -3.505   0.398
   59    HA   ILE   9           HA       ILE   9  -6.318  -1.602   0.188
   60    HB   ILE   9           HB       ILE   9  -5.486  -3.623  -1.891
   61   1HG1  ILE   9          2HG1      ILE   9  -4.910  -0.657  -1.922
   62   2HG1  ILE   9          1HG1      ILE   9  -3.737  -1.858  -1.388
   63   1HG2  ILE   9          1HG2      ILE   9  -6.840  -2.117  -3.368
   64   2HG2  ILE   9          2HG2      ILE   9  -7.382  -1.287  -1.910
   65   3HG2  ILE   9          3HG2      ILE   9  -7.765  -2.992  -2.148
   66   1HD1  ILE   9          1HD1      ILE   9  -3.337  -2.599  -3.491
   67   2HD1  ILE   9          2HD1      ILE   9  -3.807  -0.941  -3.867
   68   3HD1  ILE   9          3HD1      ILE   9  -4.974  -2.252  -4.047
   69    H    GLY  10           H        GLY  10  -8.194  -2.258   0.993
   70   1HA   GLY  10          2HA       GLY  10  -8.876  -5.118   0.837
   71   2HA   GLY  10          1HA       GLY  10  -9.019  -4.272   2.372
   72    HA   PRO  11           HA       PRO  11 -13.142  -3.992   0.297
   73   1HB   PRO  11          2HB       PRO  11 -14.592  -4.328   2.566
   74   2HB   PRO  11          1HB       PRO  11 -13.972  -5.682   1.615
   75   1HG   PRO  11          2HG       PRO  11 -12.861  -4.453   4.109
   76   2HG   PRO  11          1HG       PRO  11 -13.024  -6.168   3.684
   77   1HD   PRO  11          2HD       PRO  11 -10.680  -4.833   3.465
   78   2HD   PRO  11          1HD       PRO  11 -11.132  -6.153   2.367
   79    H    GLY  12           H        GLY  12 -13.679  -1.955  -0.162
   80   1HA   GLY  12          2HA       GLY  12 -14.994  -0.079   0.947
   81   2HA   GLY  12          1HA       GLY  12 -13.600   0.043   2.011
   82    H    ARG  13           H        ARG  13 -11.937   1.305   1.420
   83    HA   ARG  13           HA       ARG  13 -11.306   1.887  -1.302
   84   1HB   ARG  13          2HB       ARG  13 -11.708   4.388  -1.031
   85   2HB   ARG  13          1HB       ARG  13 -13.130   3.385  -1.287
   86   1HG   ARG  13          2HG       ARG  13 -14.017   4.352   0.497
   87   2HG   ARG  13          1HG       ARG  13 -12.838   3.471   1.471
   88   1HD   ARG  13          2HD       ARG  13 -12.491   5.659   2.134
   89   2HD   ARG  13          1HD       ARG  13 -11.259   5.441   0.893
   90    HE   ARG  13           HE       ARG  13 -12.344   6.980  -0.414
   91   1HH1  ARG  13          1HH1      ARG  13 -14.456   6.001   2.185
   92   2HH1  ARG  13          2HH1      ARG  13 -15.645   7.213   1.842
   93   1HH2  ARG  13          1HH2      ARG  13 -13.906   8.573  -0.867
   94   2HH2  ARG  13          2HH2      ARG  13 -15.332   8.672   0.108
   95    H    ALA  14           H        ALA  14  -9.856   0.858   0.850
   96    HA   ALA  14           HA       ALA  14  -8.185   3.012   1.868
   97   1HB   ALA  14          1HB       ALA  14  -7.129   1.333   3.230
   98   2HB   ALA  14          2HB       ALA  14  -7.926   0.044   2.327
   99   3HB   ALA  14          3HB       ALA  14  -8.878   1.137   3.331
  100    H    PHE  15           H        PHE  15  -7.226   3.722  -0.083
  101    HA   PHE  15           HA       PHE  15  -5.401   1.819  -1.376
  102   1HB   PHE  15          2HB       PHE  15  -7.146   3.741  -2.436
  103   2HB   PHE  15          1HB       PHE  15  -5.534   4.412  -2.664
  104    HD1  PHE  15           1HD      PHE  15  -3.834   2.254  -3.301
  105    HD2  PHE  15           2HD      PHE  15  -7.917   2.790  -4.370
  106    HE1  PHE  15           1HE      PHE  15  -3.506   0.807  -5.264
  107    HE2  PHE  15           2HE      PHE  15  -7.599   1.343  -6.334
  108    HZ   PHE  15           HZ       PHE  15  -5.390   0.349  -6.782
  109    H    TYR  16           H        TYR  16  -3.866   1.915   0.342
  110    HA   TYR  16           HA       TYR  16  -2.468   4.473   0.660
  111   1HB   TYR  16          2HB       TYR  16  -2.997   2.198   2.400
  112   2HB   TYR  16          1HB       TYR  16  -1.287   2.640   2.392
  113    HD1  TYR  16           1HD      TYR  16  -4.657   4.241   2.668
  114    HD2  TYR  16           2HD      TYR  16  -0.575   4.264   3.872
  115    HE1  TYR  16           1HE      TYR  16  -5.133   6.080   4.232
  116    HE2  TYR  16           2HE      TYR  16  -1.041   6.101   5.438
  117    HH   TYR  16           HH       TYR  16  -3.590   8.025   5.312
  118    H    THR  17           H        THR  17  -0.859   4.783  -0.725
  119    HA   THR  17           HA       THR  17   0.845   2.487  -1.440
  120    HB   THR  17           HB       THR  17   1.242   3.461  -3.573
  121    HG1  THR  17           1HG      THR  17   0.760   5.518  -4.073
  122   1HG2  THR  17          1HG2      THR  17  -0.867   2.374  -3.618
  123   2HG2  THR  17          2HG2      THR  17  -1.028   3.888  -4.510
  124   3HG2  THR  17          3HG2      THR  17  -1.663   3.760  -2.868
  125    H    THR  18           H        THR  18   2.556   2.613  -0.103
  126    HA   THR  18           HA       THR  18   4.111   5.101  -0.149
  127    HB   THR  18           HB       THR  18   4.590   4.945   2.215
  128    HG1  THR  18           1HG      THR  18   3.569   3.330   3.473
  129   1HG2  THR  18          1HG2      THR  18   2.118   5.646   1.260
  130   2HG2  THR  18          2HG2      THR  18   2.723   5.938   2.891
  131   3HG2  THR  18          3HG2      THR  18   1.741   4.512   2.557
  132    H    GLY  19           H        GLY  19   6.380   4.830   0.238
  133   1HA   GLY  19          2HA       GLY  19   7.359   2.320  -0.827
  134   2HA   GLY  19          1HA       GLY  19   8.311   3.762  -0.504
  135    H    GLU  20           H        GLU  20   9.124   1.133   0.131
  136    HA   GLU  20           HA       GLU  20   9.173   1.300   3.072
  137   1HB   GLU  20          2HB       GLU  20   8.048  -0.754   1.614
  138   2HB   GLU  20          1HB       GLU  20   9.662  -1.373   1.969
  139   1HG   GLU  20          2HG       GLU  20   7.646  -0.387   3.978
  140   2HG   GLU  20          1HG       GLU  20   8.070  -2.067   3.657
  141    H    ILE  21           H        ILE  21  11.129   2.118   3.513
  142    HA   ILE  21           HA       ILE  21  13.463   0.861   2.219
  143    HB   ILE  21           HB       ILE  21  13.393   3.674   3.303
  144   1HG1  ILE  21          2HG1      ILE  21  11.840   3.481   1.410
  145   2HG1  ILE  21          1HG1      ILE  21  13.256   4.431   0.974
  146   1HG2  ILE  21          1HG2      ILE  21  15.611   2.999   3.260
  147   2HG2  ILE  21          2HG2      ILE  21  15.415   3.786   1.695
  148   3HG2  ILE  21          3HG2      ILE  21  15.392   2.026   1.806
  149   1HD1  ILE  21          1HD1      ILE  21  13.599   1.618   0.379
  150   2HD1  ILE  21          2HD1      ILE  21  13.797   3.030  -0.659
  151   3HD1  ILE  21          3HD1      ILE  21  12.201   2.316  -0.436
  Start of MODEL   10
    1   1H    THR   3          1H        THR   3  14.219  -3.010   1.119
    2    HA   THR   3           HA       THR   3  13.168  -0.343   0.586
    3    HB   THR   3           HB       THR   3  14.272  -0.596  -1.613
    4    HG1  THR   3           1HG      THR   3  15.185  -3.091  -0.629
    5   1HG2  THR   3          1HG2      THR   3  15.623   0.290   0.199
    6   2HG2  THR   3          2HG2      THR   3  16.591  -0.703  -0.890
    7   3HG2  THR   3          3HG2      THR   3  16.082  -1.347   0.670
    8    H    ARG   4           H        ARG   4  11.299  -2.359   1.188
    9    HA   ARG   4           HA       ARG   4  10.101  -3.206  -1.311
   10   1HB   ARG   4          2HB       ARG   4   9.539  -3.708   1.600
   11   2HB   ARG   4          1HB       ARG   4   8.365  -4.150   0.365
   12   1HG   ARG   4          2HG       ARG   4   9.436  -6.087   0.209
   13   2HG   ARG   4          1HG       ARG   4  10.743  -5.201  -0.580
   14   1HD   ARG   4          2HD       ARG   4  11.541  -4.713   1.837
   15   2HD   ARG   4          1HD       ARG   4  10.495  -6.071   2.277
   16    HE   ARG   4           HE       ARG   4  13.022  -6.194   0.907
   17   1HH1  ARG   4          1HH1      ARG   4   9.990  -7.828   1.480
   18   2HH1  ARG   4          2HH1      ARG   4  10.624  -9.397   1.113
   19   1HH2  ARG   4          1HH2      ARG   4  13.856  -8.257   0.422
   20   2HH2  ARG   4          2HH2      ARG   4  12.819  -9.642   0.514
   21    H    LYS   5           H        LYS   5   7.502  -3.043  -1.091
   22    HA   LYS   5           HA       LYS   5   6.941  -0.173  -0.730
   23   1HB   LYS   5          2HB       LYS   5   6.767  -1.532  -3.052
   24   2HB   LYS   5          1HB       LYS   5   5.145  -1.806  -2.429
   25   1HG   LYS   5          2HG       LYS   5   5.341   0.839  -2.019
   26   2HG   LYS   5          1HG       LYS   5   6.408   0.665  -3.423
   27   1HD   LYS   5          2HD       LYS   5   4.703   0.030  -4.806
   28   2HD   LYS   5          1HD       LYS   5   3.776  -0.717  -3.503
   29   1HE   LYS   5          2HE       LYS   5   2.483   1.123  -3.862
   30   2HE   LYS   5          1HE       LYS   5   3.609   1.798  -2.686
   31   1HZ   LYS   5          1HZ       LYS   5   4.605   3.084  -4.239
   32   2HZ   LYS   5          2HZ       LYS   5   3.090   2.970  -4.984
   33   3HZ   LYS   5          3HZ       LYS   5   4.362   1.979  -5.498
   34    H    SER   6           H        SER   6   5.031   0.461   0.262
   35    HA   SER   6           HA       SER   6   3.838  -1.563   1.993
   36   1HB   SER   6          2HB       SER   6   2.734   0.558   3.004
   37   2HB   SER   6          1HB       SER   6   4.461   0.305   3.260
   38    HG   SER   6           HG       SER   6   3.843   2.459   2.549
   39    H    ILE   7           H        ILE   7   2.114  -2.591   1.234
   40    HA   ILE   7           HA       ILE   7   0.018  -1.013  -0.093
   41    HB   ILE   7           HB       ILE   7   0.797  -3.797  -0.951
   42   1HG1  ILE   7          2HG1      ILE   7   2.587  -2.265  -1.550
   43   2HG1  ILE   7          1HG1      ILE   7   1.685  -2.705  -2.997
   44   1HG2  ILE   7          1HG2      ILE   7  -1.555  -3.202  -1.298
   45   2HG2  ILE   7          2HG2      ILE   7  -0.696  -3.385  -2.826
   46   3HG2  ILE   7          3HG2      ILE   7  -1.056  -1.774  -2.205
   47   1HD1  ILE   7          1HD1      ILE   7   0.489  -0.379  -1.948
   48   2HD1  ILE   7          2HD1      ILE   7   1.410  -0.563  -3.441
   49   3HD1  ILE   7          3HD1      ILE   7   2.233  -0.125  -1.943
   50    H    HIS   8           H        HIS   8  -1.626  -1.032   1.288
   51    HA   HIS   8           HA       HIS   8  -2.594  -3.615   2.262
   52   1HB   HIS   8          2HB       HIS   8  -1.735  -1.300   3.942
   53   2HB   HIS   8          1HB       HIS   8  -3.136  -2.230   4.461
   54    HD1  HIS   8           1HD      HIS   8  -0.140  -2.071   5.744
   55    HD2  HIS   8           2HD      HIS   8  -1.872  -5.216   3.652
   56    HE1  HIS   8           1HE      HIS   8   1.111  -4.131   6.466
   57    HE2  HIS   8           2HE      HIS   8  -0.013  -6.032   5.254
   58    H    ILE   9           H        ILE   9  -4.477  -3.693   1.190
   59    HA   ILE   9           HA       ILE   9  -6.315  -1.411   1.510
   60    HB   ILE   9           HB       ILE   9  -6.251  -3.241  -0.886
   61   1HG1  ILE   9          2HG1      ILE   9  -5.531  -0.462  -1.371
   62   2HG1  ILE   9          1HG1      ILE   9  -4.395  -1.252  -0.279
   63   1HG2  ILE   9          1HG2      ILE   9  -7.965  -1.011   0.010
   64   2HG2  ILE   9          2HG2      ILE   9  -8.355  -2.420  -0.975
   65   3HG2  ILE   9          3HG2      ILE   9  -7.535  -1.037  -1.701
   66   1HD1  ILE   9          1HD1      ILE   9  -5.167  -2.701  -2.745
   67   2HD1  ILE   9          2HD1      ILE   9  -3.629  -2.663  -1.881
   68   3HD1  ILE   9          3HD1      ILE   9  -4.101  -1.304  -2.901
   69    H    GLY  10           H        GLY  10  -8.546  -1.912   1.688
   70   1HA   GLY  10          2HA       GLY  10  -9.163  -4.750   2.196
   71   2HA   GLY  10          1HA       GLY  10  -9.563  -3.536   3.401
   72    HA   PRO  11           HA       PRO  11 -13.128  -4.103   0.380
   73   1HB   PRO  11          2HB       PRO  11 -14.997  -4.826   2.209
   74   2HB   PRO  11          1HB       PRO  11 -13.947  -5.995   1.399
   75   1HG   PRO  11          2HG       PRO  11 -13.690  -4.789   4.128
   76   2HG   PRO  11          1HG       PRO  11 -13.455  -6.473   3.622
   77   1HD   PRO  11          2HD       PRO  11 -11.386  -4.773   4.031
   78   2HD   PRO  11          1HD       PRO  11 -11.332  -6.069   2.820
   79    H    GLY  12           H        GLY  12 -12.776  -1.749   0.340
   80   1HA   GLY  12          2HA       GLY  12 -15.038  -0.329   1.215
   81   2HA   GLY  12          1HA       GLY  12 -13.714   0.001   2.324
   82    H    ARG  13           H        ARG  13 -12.181   1.447   1.762
   83    HA   ARG  13           HA       ARG  13 -11.664   2.174  -0.960
   84   1HB   ARG  13          2HB       ARG  13 -13.849   3.420   0.040
   85   2HB   ARG  13          1HB       ARG  13 -12.596   4.535   0.563
   86   1HG   ARG  13          2HG       ARG  13 -12.347   3.697  -2.226
   87   2HG   ARG  13          1HG       ARG  13 -13.834   4.576  -1.862
   88   1HD   ARG  13          2HD       ARG  13 -11.841   5.996  -0.542
   89   2HD   ARG  13          1HD       ARG  13 -11.115   5.547  -2.085
   90    HE   ARG  13           HE       ARG  13 -13.628   6.521  -2.675
   91   1HH1  ARG  13          1HH1      ARG  13 -10.721   7.730  -1.165
   92   2HH1  ARG  13          2HH1      ARG  13 -10.999   9.368  -1.657
   93   1HH2  ARG  13          1HH2      ARG  13 -13.993   8.673  -3.321
   94   2HH2  ARG  13          2HH2      ARG  13 -12.858   9.904  -2.880
   95    H    ALA  14           H        ALA  14 -10.013   1.207   1.021
   96    HA   ALA  14           HA       ALA  14  -8.446   3.551   1.866
   97   1HB   ALA  14          1HB       ALA  14  -8.512   0.737   2.943
   98   2HB   ALA  14          2HB       ALA  14  -9.065   2.211   3.742
   99   3HB   ALA  14          3HB       ALA  14  -7.344   1.958   3.446
  100    H    PHE  15           H        PHE  15  -7.175   3.970   0.114
  101    HA   PHE  15           HA       PHE  15  -5.495   1.765  -0.882
  102   1HB   PHE  15          2HB       PHE  15  -7.108   3.314  -2.378
  103   2HB   PHE  15          1HB       PHE  15  -5.652   4.301  -2.412
  104    HD1  PHE  15           1HD      PHE  15  -3.533   2.293  -2.467
  105    HD2  PHE  15           2HD      PHE  15  -7.282   2.373  -4.481
  106    HE1  PHE  15           1HE      PHE  15  -2.606   0.865  -4.245
  107    HE2  PHE  15           2HE      PHE  15  -6.361   0.946  -6.260
  108    HZ   PHE  15           HZ       PHE  15  -4.022   0.188  -6.143
  109    H    TYR  16           H        TYR  16  -4.096   2.097   0.976
  110    HA   TYR  16           HA       TYR  16  -2.544   4.575   0.963
  111   1HB   TYR  16          2HB       TYR  16  -2.554   2.247   2.899
  112   2HB   TYR  16          1HB       TYR  16  -1.567   3.702   3.073
  113    HD1  TYR  16           1HD      TYR  16  -3.135   5.944   2.736
  114    HD2  TYR  16           2HD      TYR  16  -4.389   2.182   4.275
  115    HE1  TYR  16           1HE      TYR  16  -4.976   7.054   3.929
  116    HE2  TYR  16           2HE      TYR  16  -6.236   3.281   5.472
  117    HH   TYR  16           HH       TYR  16  -7.547   5.327   5.353
  118    H    THR  17           H        THR  17  -0.708   4.685  -0.132
  119    HA   THR  17           HA       THR  17   1.056   2.371  -0.250
  120    HB   THR  17           HB       THR  17   1.259   2.308  -2.599
  121    HG1  THR  17           1HG      THR  17  -0.193   4.738  -2.596
  122   1HG2  THR  17          1HG2      THR  17  -1.045   2.095  -3.492
  123   2HG2  THR  17          2HG2      THR  17  -1.649   2.708  -1.951
  124   3HG2  THR  17          3HG2      THR  17  -0.760   1.187  -2.008
  125    H    THR  18           H        THR  18   3.072   2.962   0.152
  126    HA   THR  18           HA       THR  18   4.085   5.514  -0.792
  127    HB   THR  18           HB       THR  18   4.763   6.341   1.337
  128    HG1  THR  18           1HG      THR  18   4.427   5.155   3.233
  129   1HG2  THR  18          1HG2      THR  18   1.972   5.302   1.750
  130   2HG2  THR  18          2HG2      THR  18   2.386   6.744   0.823
  131   3HG2  THR  18          3HG2      THR  18   2.727   6.680   2.551
  132    H    GLY  19           H        GLY  19   6.467   5.733  -0.264
  133   1HA   GLY  19          2HA       GLY  19   7.760   3.254  -0.969
  134   2HA   GLY  19          1HA       GLY  19   8.532   4.824  -0.795
  135    H    GLU  20           H        GLU  20   9.126   2.019   0.226
  136    HA   GLU  20           HA       GLU  20   9.333   2.699   3.084
  137   1HB   GLU  20          2HB       GLU  20   8.034   0.584   2.243
  138   2HB   GLU  20          1HB       GLU  20   9.652  -0.098   2.059
  139   1HG   GLU  20          2HG       GLU  20   9.108  -0.791   4.169
  140   2HG   GLU  20          1HG       GLU  20   9.964   0.711   4.516
  141    H    ILE  21           H        ILE  21  11.283   3.696   3.206
  142    HA   ILE  21           HA       ILE  21  13.620   2.109   2.378
  143    HB   ILE  21           HB       ILE  21  13.502   5.123   2.279
  144   1HG1  ILE  21          2HG1      ILE  21  13.536   3.303  -0.121
  145   2HG1  ILE  21          1HG1      ILE  21  12.023   3.841   0.599
  146   1HG2  ILE  21          1HG2      ILE  21  15.726   4.733   2.416
  147   2HG2  ILE  21          2HG2      ILE  21  15.541   4.440   0.686
  148   3HG2  ILE  21          3HG2      ILE  21  15.587   3.082   1.809
  149   1HD1  ILE  21          1HD1      ILE  21  13.614   5.167  -1.294
  150   2HD1  ILE  21          2HD1      ILE  21  13.722   6.095   0.203
  151   3HD1  ILE  21          3HD1      ILE  21  12.147   5.747  -0.508
  Start of MODEL   11
    1   1H    THR   3          1H        THR   3  13.027  -1.270  -2.042
    2    HA   THR   3           HA       THR   3  12.167  -2.243  -4.653
    3    HB   THR   3           HB       THR   3  13.449  -4.292  -4.059
    4    HG1  THR   3           1HG      THR   3  14.854  -4.046  -2.204
    5   1HG2  THR   3          1HG2      THR   3  15.597  -3.430  -4.395
    6   2HG2  THR   3          2HG2      THR   3  15.194  -1.895  -3.627
    7   3HG2  THR   3          3HG2      THR   3  14.512  -2.300  -5.202
    8    H    ARG   4           H        ARG   4  10.190  -1.578  -2.749
    9    HA   ARG   4           HA       ARG   4   8.795  -4.103  -2.600
   10   1HB   ARG   4          2HB       ARG   4   8.294  -4.018  -0.284
   11   2HB   ARG   4          1HB       ARG   4  10.045  -3.882  -0.459
   12   1HG   ARG   4          2HG       ARG   4   9.585  -2.282   1.113
   13   2HG   ARG   4          1HG       ARG   4   9.596  -1.337  -0.378
   14   1HD   ARG   4          2HD       ARG   4   7.704  -0.813   1.081
   15   2HD   ARG   4          1HD       ARG   4   7.194  -1.393  -0.488
   16    HE   ARG   4           HE       ARG   4   6.272  -3.237   0.525
   17   1HH1  ARG   4          1HH1      ARG   4   8.291  -1.557   2.822
   18   2HH1  ARG   4          2HH1      ARG   4   7.763  -2.507   4.169
   19   1HH2  ARG   4          1HH2      ARG   4   5.578  -4.486   2.295
   20   2HH2  ARG   4          2HH2      ARG   4   6.222  -4.171   3.870
   21    H    LYS   5           H        LYS   5   6.494  -3.749  -1.784
   22    HA   LYS   5           HA       LYS   5   5.521  -1.069  -2.454
   23   1HB   LYS   5          2HB       LYS   5   5.241  -3.373  -4.122
   24   2HB   LYS   5          1HB       LYS   5   3.653  -2.936  -3.510
   25   1HG   LYS   5          2HG       LYS   5   5.557  -1.137  -5.000
   26   2HG   LYS   5          1HG       LYS   5   4.059  -1.851  -5.626
   27   1HD   LYS   5          2HD       LYS   5   2.770  -0.304  -4.627
   28   2HD   LYS   5          1HD       LYS   5   3.721  -0.333  -3.141
   29   1HE   LYS   5          2HE       LYS   5   5.084   1.354  -3.818
   30   2HE   LYS   5          1HE       LYS   5   4.989   0.893  -5.518
   31   1HZ   LYS   5          1HZ       LYS   5   3.004   2.426  -3.937
   32   2HZ   LYS   5          2HZ       LYS   5   2.646   1.759  -5.450
   33   3HZ   LYS   5          3HZ       LYS   5   3.857   2.931  -5.310
   34    H    SER   6           H        SER   6   5.005  -0.708  -0.302
   35    HA   SER   6           HA       SER   6   3.460  -2.564   1.234
   36   1HB   SER   6          2HB       SER   6   4.643   0.109   1.643
   37   2HB   SER   6          1HB       SER   6   3.175  -0.206   2.567
   38    HG   SER   6           HG       SER   6   4.288  -2.251   3.160
   39    H    ILE   7           H        ILE   7   1.678  -2.919  -0.219
   40    HA   ILE   7           HA       ILE   7  -0.249  -0.693  -0.312
   41    HB   ILE   7           HB       ILE   7  -0.257  -3.173  -2.031
   42   1HG1  ILE   7          2HG1      ILE   7   0.667  -0.381  -2.748
   43   2HG1  ILE   7          1HG1      ILE   7   1.741  -1.740  -2.432
   44   1HG2  ILE   7          1HG2      ILE   7  -2.119  -2.383  -3.030
   45   2HG2  ILE   7          2HG2      ILE   7  -1.621  -0.699  -2.871
   46   3HG2  ILE   7          3HG2      ILE   7  -2.331  -1.543  -1.493
   47   1HD1  ILE   7          1HD1      ILE   7  -0.223  -2.423  -4.421
   48   2HD1  ILE   7          2HD1      ILE   7   1.539  -2.464  -4.512
   49   3HD1  ILE   7          3HD1      ILE   7   0.671  -0.972  -4.875
   50    H    HIS   8           H        HIS   8  -1.630  -0.841   1.333
   51    HA   HIS   8           HA       HIS   8  -2.854  -3.465   1.880
   52   1HB   HIS   8          2HB       HIS   8  -2.113  -1.328   3.888
   53   2HB   HIS   8          1HB       HIS   8  -3.049  -2.770   4.262
   54    HD1  HIS   8           1HD      HIS   8  -0.916  -4.320   2.148
   55    HD2  HIS   8           2HD      HIS   8  -0.230  -2.435   5.787
   56    HE1  HIS   8           1HE      HIS   8   1.224  -5.307   3.021
   57    HE2  HIS   8           2HE      HIS   8   1.668  -4.087   5.182
   58    H    ILE   9           H        ILE   9  -4.894  -3.401   1.218
   59    HA   ILE   9           HA       ILE   9  -6.423  -0.908   1.592
   60    HB   ILE   9           HB       ILE   9  -7.037  -3.091  -0.398
   61   1HG1  ILE   9          2HG1      ILE   9  -6.257  -1.105  -1.981
   62   2HG1  ILE   9          1HG1      ILE   9  -5.281  -0.684  -0.577
   63   1HG2  ILE   9          1HG2      ILE   9  -8.819  -1.877  -1.046
   64   2HG2  ILE   9          2HG2      ILE   9  -7.997  -0.338  -0.791
   65   3HG2  ILE   9          3HG2      ILE   9  -8.696  -1.200   0.579
   66   1HD1  ILE   9          1HD1      ILE   9  -5.248  -3.454  -1.700
   67   2HD1  ILE   9          2HD1      ILE   9  -4.045  -2.644  -0.699
   68   3HD1  ILE   9          3HD1      ILE   9  -4.250  -2.173  -2.386
   69    H    GLY  10           H        GLY  10  -8.359  -0.971   2.636
   70   1HA   GLY  10          2HA       GLY  10  -9.138  -3.589   3.763
   71   2HA   GLY  10          1HA       GLY  10  -9.349  -2.056   4.596
   72    HA   PRO  11           HA       PRO  11 -13.265  -3.579   2.254
   73   1HB   PRO  11          2HB       PRO  11 -14.314  -3.043   4.993
   74   2HB   PRO  11          1HB       PRO  11 -14.740  -4.327   3.855
   75   1HG   PRO  11          2HG       PRO  11 -13.199  -4.844   5.961
   76   2HG   PRO  11          1HG       PRO  11 -12.878  -5.602   4.390
   77   1HD   PRO  11          2HD       PRO  11 -11.454  -3.351   5.738
   78   2HD   PRO  11          1HD       PRO  11 -10.804  -4.652   4.720
   79    H    GLY  12           H        GLY  12 -13.020  -1.575   1.124
   80   1HA   GLY  12          2HA       GLY  12 -14.929   0.265   1.212
   81   2HA   GLY  12          1HA       GLY  12 -13.871   0.861   2.481
   82    H    ARG  13           H        ARG  13 -12.409   2.309   1.881
   83    HA   ARG  13           HA       ARG  13 -11.197   2.129  -0.768
   84   1HB   ARG  13          2HB       ARG  13 -13.298   3.780  -0.517
   85   2HB   ARG  13          1HB       ARG  13 -12.034   4.855   0.064
   86   1HG   ARG  13          2HG       ARG  13 -11.658   5.367  -2.061
   87   2HG   ARG  13          1HG       ARG  13 -10.957   3.757  -2.232
   88   1HD   ARG  13          2HD       ARG  13 -12.507   3.497  -3.835
   89   2HD   ARG  13          1HD       ARG  13 -13.604   3.209  -2.485
   90    HE   ARG  13           HE       ARG  13 -14.626   5.209  -2.929
   91   1HH1  ARG  13          1HH1      ARG  13 -11.580   5.091  -4.629
   92   2HH1  ARG  13          2HH1      ARG  13 -11.884   6.537  -5.531
   93   1HH2  ARG  13          1HH2      ARG  13 -15.028   7.113  -4.116
   94   2HH2  ARG  13          2HH2      ARG  13 -13.841   7.686  -5.240
   95    H    ALA  14           H        ALA  14  -9.178   1.752  -0.020
   96    HA   ALA  14           HA       ALA  14  -7.834   3.958   1.312
   97   1HB   ALA  14          1HB       ALA  14  -8.379   1.359   2.601
   98   2HB   ALA  14          2HB       ALA  14  -8.121   2.951   3.315
   99   3HB   ALA  14          3HB       ALA  14  -6.741   1.991   2.779
  100    H    PHE  15           H        PHE  15  -5.856   4.262   0.490
  101    HA   PHE  15           HA       PHE  15  -4.468   2.005  -0.762
  102   1HB   PHE  15          2HB       PHE  15  -5.657   4.229  -2.160
  103   2HB   PHE  15          1HB       PHE  15  -3.912   4.237  -2.390
  104    HD1  PHE  15           1HD      PHE  15  -3.203   1.446  -2.485
  105    HD2  PHE  15           2HD      PHE  15  -6.615   3.420  -4.089
  106    HE1  PHE  15           1HE      PHE  15  -3.417  -0.316  -4.189
  107    HE2  PHE  15           2HE      PHE  15  -6.837   1.660  -5.795
  108    HZ   PHE  15           HZ       PHE  15  -5.236  -0.209  -5.847
  109    H    TYR  16           H        TYR  16  -3.216   2.143   1.208
  110    HA   TYR  16           HA       TYR  16  -1.535   4.504   1.521
  111   1HB   TYR  16          2HB       TYR  16  -1.683   1.982   3.189
  112   2HB   TYR  16          1HB       TYR  16  -0.770   3.439   3.594
  113    HD1  TYR  16           1HD      TYR  16  -4.146   2.000   3.263
  114    HD2  TYR  16           2HD      TYR  16  -1.864   5.369   4.505
  115    HE1  TYR  16           1HE      TYR  16  -6.121   2.907   4.413
  116    HE2  TYR  16           2HE      TYR  16  -3.831   6.286   5.658
  117    HH   TYR  16           HH       TYR  16  -6.547   4.508   6.358
  118    H    THR  17           H        THR  17   0.524   4.622   0.865
  119    HA   THR  17           HA       THR  17   1.889   2.132   0.096
  120    HB   THR  17           HB       THR  17   2.771   3.162  -1.887
  121    HG1  THR  17           1HG      THR  17   1.344   5.507  -1.186
  122   1HG2  THR  17          1HG2      THR  17   0.851   2.409  -2.754
  123   2HG2  THR  17          2HG2      THR  17   0.445   4.121  -2.856
  124   3HG2  THR  17          3HG2      THR  17  -0.135   3.158  -1.498
  125    H    THR  18           H        THR  18   3.783   1.880   1.060
  126    HA   THR  18           HA       THR  18   5.214   4.276   2.009
  127    HB   THR  18           HB       THR  18   5.870   3.154   3.988
  128    HG1  THR  18           1HG      THR  18   6.252   1.112   3.848
  129   1HG2  THR  18          1HG2      THR  18   3.902   3.504   4.919
  130   2HG2  THR  18          2HG2      THR  18   3.407   1.889   4.408
  131   3HG2  THR  18          3HG2      THR  18   3.085   3.278   3.370
  132    H    GLY  19           H        GLY  19   7.447   4.306   1.794
  133   1HA   GLY  19          2HA       GLY  19   8.488   2.413  -0.177
  134   2HA   GLY  19          1HA       GLY  19   9.223   3.943   0.282
  135    H    GLU  20           H        GLU  20  10.491   1.352   0.047
  136    HA   GLU  20           HA       GLU  20  12.108   1.400   2.331
  137   1HB   GLU  20          2HB       GLU  20  10.224   0.470   3.530
  138   2HB   GLU  20          1HB       GLU  20  10.014  -0.783   2.306
  139   1HG   GLU  20          2HG       GLU  20  11.082  -1.573   4.396
  140   2HG   GLU  20          1HG       GLU  20  12.052  -1.847   2.948
  141    H    ILE  21           H        ILE  21  13.970   0.303   1.962
  142    HA   ILE  21           HA       ILE  21  14.170  -1.104  -0.586
  143    HB   ILE  21           HB       ILE  21  15.794   0.687  -0.097
  144   1HG1  ILE  21          2HG1      ILE  21  17.423  -1.813  -0.085
  145   2HG1  ILE  21          1HG1      ILE  21  16.260  -1.591  -1.386
  146   1HG2  ILE  21          1HG2      ILE  21  15.857   0.151   2.388
  147   2HG2  ILE  21          2HG2      ILE  21  17.391   0.561   1.623
  148   3HG2  ILE  21          3HG2      ILE  21  17.003  -1.124   1.973
  149   1HD1  ILE  21          1HD1      ILE  21  17.932   0.748  -0.890
  150   2HD1  ILE  21          2HD1      ILE  21  17.522  -0.061  -2.403
  151   3HD1  ILE  21          3HD1      ILE  21  18.825  -0.689  -1.393
  Start of MODEL   12
    1   1H    THR   3          1H        THR   3   9.113  -7.588   2.126
    2    HA   THR   3           HA       THR   3   7.885  -5.489   3.761
    3    HB   THR   3           HB       THR   3  10.005  -5.639   5.080
    4    HG1  THR   3           1HG      THR   3  11.327  -7.475   4.631
    5   1HG2  THR   3          1HG2      THR   3   7.875  -7.290   5.237
    6   2HG2  THR   3          2HG2      THR   3   9.240  -7.308   6.353
    7   3HG2  THR   3          3HG2      THR   3   9.186  -8.448   5.008
    8    H    ARG   4           H        ARG   4   8.452  -5.029   0.969
    9    HA   ARG   4           HA       ARG   4  10.487  -2.917   1.227
   10   1HB   ARG   4          2HB       ARG   4  10.719  -3.224  -1.319
   11   2HB   ARG   4          1HB       ARG   4  11.464  -4.427  -0.266
   12   1HG   ARG   4          2HG       ARG   4  10.391  -5.566  -2.065
   13   2HG   ARG   4          1HG       ARG   4   9.457  -5.861  -0.599
   14   1HD   ARG   4          2HD       ARG   4   7.654  -4.753  -1.369
   15   2HD   ARG   4          1HD       ARG   4   8.632  -3.506  -2.154
   16    HE   ARG   4           HE       ARG   4   7.601  -5.914  -3.344
   17   1HH1  ARG   4          1HH1      ARG   4  10.057  -3.443  -3.545
   18   2HH1  ARG   4          2HH1      ARG   4  10.331  -3.676  -5.238
   19   1HH2  ARG   4          1HH2      ARG   4   7.960  -6.222  -5.571
   20   2HH2  ARG   4          2HH2      ARG   4   9.140  -5.254  -6.390
   21    H    LYS   5           H        LYS   5   7.487  -2.953   1.581
   22    HA   LYS   5           HA       LYS   5   6.923  -0.437   0.512
   23   1HB   LYS   5          2HB       LYS   5   6.865  -2.140  -1.540
   24   2HB   LYS   5          1HB       LYS   5   5.231  -2.407  -0.944
   25   1HG   LYS   5          2HG       LYS   5   4.885   0.077  -1.067
   26   2HG   LYS   5          1HG       LYS   5   6.440   0.170  -1.912
   27   1HD   LYS   5          2HD       LYS   5   5.406  -1.629  -3.472
   28   2HD   LYS   5          1HD       LYS   5   3.868  -1.083  -2.801
   29   1HE   LYS   5          2HE       LYS   5   3.963   0.917  -3.859
   30   2HE   LYS   5          1HE       LYS   5   5.718   1.027  -3.721
   31   1HZ   LYS   5          1HZ       LYS   5   5.104   0.768  -6.011
   32   2HZ   LYS   5          2HZ       LYS   5   4.201  -0.620  -5.672
   33   3HZ   LYS   5          3HZ       LYS   5   5.883  -0.644  -5.498
   34    H    SER   6           H        SER   6   4.736   0.274   0.964
   35    HA   SER   6           HA       SER   6   3.371  -1.464   2.914
   36   1HB   SER   6          2HB       SER   6   4.272   0.320   4.179
   37   2HB   SER   6          1HB       SER   6   3.851   1.512   2.950
   38    HG   SER   6           HG       SER   6   1.765   1.434   3.567
   39    H    ILE   7           H        ILE   7   1.941  -2.317   1.383
   40    HA   ILE   7           HA       ILE   7  -0.050  -0.393   0.366
   41    HB   ILE   7           HB       ILE   7   0.727  -2.991  -0.958
   42   1HG1  ILE   7          2HG1      ILE   7   2.560  -1.433  -1.176
   43   2HG1  ILE   7          1HG1      ILE   7   1.713  -1.513  -2.715
   44   1HG2  ILE   7          1HG2      ILE   7  -1.394  -0.995  -1.403
   45   2HG2  ILE   7          2HG2      ILE   7  -1.350  -2.715  -1.791
   46   3HG2  ILE   7          3HG2      ILE   7  -0.546  -1.551  -2.845
   47   1HD1  ILE   7          1HD1      ILE   7   2.192   0.743  -0.988
   48   2HD1  ILE   7          2HD1      ILE   7   0.478   0.563  -1.359
   49   3HD1  ILE   7          3HD1      ILE   7   1.654   0.698  -2.668
   50    H    HIS   8           H        HIS   8  -1.655  -0.570   1.810
   51    HA   HIS   8           HA       HIS   8  -2.777  -3.260   2.243
   52   1HB   HIS   8          2HB       HIS   8  -1.599  -1.916   4.229
   53   2HB   HIS   8          1HB       HIS   8  -3.189  -1.167   4.321
   54    HD1  HIS   8           1HD      HIS   8  -4.011  -2.237   6.445
   55    HD2  HIS   8           2HD      HIS   8  -2.637  -5.013   3.676
   56    HE1  HIS   8           1HE      HIS   8  -4.652  -4.484   7.372
   57    HE2  HIS   8           2HE      HIS   8  -3.892  -6.142   5.634
   58    H    ILE   9           H        ILE   9  -4.694  -3.426   1.309
   59    HA   ILE   9           HA       ILE   9  -6.491  -1.092   1.347
   60    HB   ILE   9           HB       ILE   9  -6.341  -3.067  -0.926
   61   1HG1  ILE   9          2HG1      ILE   9  -5.185  -0.275  -0.758
   62   2HG1  ILE   9          1HG1      ILE   9  -4.254  -1.770  -0.802
   63   1HG2  ILE   9          1HG2      ILE   9  -7.684  -0.377  -0.734
   64   2HG2  ILE   9          2HG2      ILE   9  -8.501  -1.930  -0.564
   65   3HG2  ILE   9          3HG2      ILE   9  -7.747  -1.494  -2.097
   66   1HD1  ILE   9          1HD1      ILE   9  -4.668  -0.315  -2.958
   67   2HD1  ILE   9          2HD1      ILE   9  -6.159  -1.257  -3.016
   68   3HD1  ILE   9          3HD1      ILE   9  -4.596  -2.075  -3.026
   69    H    GLY  10           H        GLY  10  -8.491  -1.471   2.092
   70   1HA   GLY  10          2HA       GLY  10  -9.137  -4.186   2.933
   71   2HA   GLY  10          1HA       GLY  10  -9.989  -2.720   3.397
   72    HA   PRO  11           HA       PRO  11 -12.591  -4.988   0.275
   73   1HB   PRO  11          2HB       PRO  11 -14.933  -4.673   1.614
   74   2HB   PRO  11          1HB       PRO  11 -13.830  -6.022   1.910
   75   1HG   PRO  11          2HG       PRO  11 -14.163  -3.475   3.448
   76   2HG   PRO  11          1HG       PRO  11 -13.967  -5.130   4.053
   77   1HD   PRO  11          2HD       PRO  11 -11.922  -3.362   3.977
   78   2HD   PRO  11          1HD       PRO  11 -11.681  -5.105   3.747
   79    H    GLY  12           H        GLY  12 -12.827  -1.907   1.896
   80   1HA   GLY  12          2HA       GLY  12 -14.793  -0.824   0.090
   81   2HA   GLY  12          1HA       GLY  12 -13.890   0.065   1.309
   82    H    ARG  13           H        ARG  13 -12.483   1.501   0.571
   83    HA   ARG  13           HA       ARG  13 -10.904   0.968  -1.793
   84   1HB   ARG  13          2HB       ARG  13 -11.584   3.190  -2.818
   85   2HB   ARG  13          1HB       ARG  13 -12.761   1.888  -2.931
   86   1HG   ARG  13          2HG       ARG  13 -14.242   2.919  -1.568
   87   2HG   ARG  13          1HG       ARG  13 -12.985   3.677  -0.589
   88   1HD   ARG  13          2HD       ARG  13 -13.820   4.515  -3.365
   89   2HD   ARG  13          1HD       ARG  13 -14.244   5.338  -1.864
   90    HE   ARG  13           HE       ARG  13 -11.782   5.538  -3.298
   91   1HH1  ARG  13          1HH1      ARG  13 -13.198   5.688  -0.112
   92   2HH1  ARG  13          2HH1      ARG  13 -11.955   6.708   0.529
   93   1HH2  ARG  13          1HH2      ARG  13 -10.147   6.880  -2.459
   94   2HH2  ARG  13          2HH2      ARG  13 -10.223   7.387  -0.803
   95    H    ALA  14           H        ALA  14  -9.159   1.105  -0.355
   96    HA   ALA  14           HA       ALA  14  -8.413   3.854   0.330
   97   1HB   ALA  14          1HB       ALA  14  -9.303   2.116   2.261
   98   2HB   ALA  14          2HB       ALA  14  -8.296   3.536   2.538
   99   3HB   ALA  14          3HB       ALA  14  -7.549   1.947   2.358
  100    H    PHE  15           H        PHE  15  -6.651   4.189  -0.859
  101    HA   PHE  15           HA       PHE  15  -4.713   2.010  -1.181
  102   1HB   PHE  15          2HB       PHE  15  -5.795   3.850  -3.008
  103   2HB   PHE  15          1HB       PHE  15  -4.126   4.354  -2.767
  104    HD1  PHE  15           1HD      PHE  15  -2.565   2.036  -2.545
  105    HD2  PHE  15           2HD      PHE  15  -6.048   2.620  -4.919
  106    HE1  PHE  15           1HE      PHE  15  -1.809   0.271  -4.083
  107    HE2  PHE  15           2HE      PHE  15  -5.300   0.855  -6.459
  108    HZ   PHE  15           HZ       PHE  15  -3.178  -0.323  -6.042
  109    H    TYR  16           H        TYR  16  -3.470   2.117   0.637
  110    HA   TYR  16           HA       TYR  16  -2.223   4.694   1.292
  111   1HB   TYR  16          2HB       TYR  16  -2.966   2.294   2.874
  112   2HB   TYR  16          1HB       TYR  16  -1.483   3.128   3.349
  113    HD1  TYR  16           1HD      TYR  16  -5.130   3.367   3.118
  114    HD2  TYR  16           2HD      TYR  16  -1.561   5.378   4.264
  115    HE1  TYR  16           1HE      TYR  16  -6.467   5.019   4.353
  116    HE2  TYR  16           2HE      TYR  16  -2.887   7.037   5.504
  117    HH   TYR  16           HH       TYR  16  -6.105   7.497   5.091
  118    H    THR  17           H        THR  17  -0.247   5.021   0.541
  119    HA   THR  17           HA       THR  17   1.580   2.725   0.320
  120    HB   THR  17           HB       THR  17   2.380   3.409  -1.767
  121    HG1  THR  17           1HG      THR  17   2.684   5.578  -1.436
  122   1HG2  THR  17          1HG2      THR  17   0.426   3.878  -3.222
  123   2HG2  THR  17          2HG2      THR  17  -0.560   4.031  -1.768
  124   3HG2  THR  17          3HG2      THR  17   0.214   2.494  -2.150
  125    H    THR  18           H        THR  18   3.183   2.953   1.702
  126    HA   THR  18           HA       THR  18   4.495   5.557   1.948
  127    HB   THR  18           HB       THR  18   4.486   5.544   4.327
  128    HG1  THR  18           1HG      THR  18   3.228   3.006   4.212
  129   1HG2  THR  18          1HG2      THR  18   2.332   6.035   4.791
  130   2HG2  THR  18          2HG2      THR  18   1.714   4.576   4.016
  131   3HG2  THR  18          3HG2      THR  18   2.204   5.956   3.034
  132    H    GLY  19           H        GLY  19   6.321   4.875   3.932
  133   1HA   GLY  19          2HA       GLY  19   8.326   3.584   2.502
  134   2HA   GLY  19          1HA       GLY  19   8.332   3.813   4.243
  135    H    GLU  20           H        GLU  20   9.418   1.569   2.901
  136    HA   GLU  20           HA       GLU  20   7.666  -0.646   2.900
  137   1HB   GLU  20          2HB       GLU  20   9.681  -2.015   2.797
  138   2HB   GLU  20          1HB       GLU  20   9.820  -0.633   1.706
  139   1HG   GLU  20          2HG       GLU  20  10.884  -0.113   4.368
  140   2HG   GLU  20          1HG       GLU  20  11.693  -1.440   3.536
  141    H    ILE  21           H        ILE  21   8.720  -2.625   4.388
  142    HA   ILE  21           HA       ILE  21   7.924  -1.851   7.076
  143    HB   ILE  21           HB       ILE  21   8.630  -4.613   6.090
  144   1HG1  ILE  21          2HG1      ILE  21   6.822  -3.719   4.718
  145   2HG1  ILE  21          1HG1      ILE  21   6.197  -4.949   5.811
  146   1HG2  ILE  21          1HG2      ILE  21   7.092  -5.248   7.994
  147   2HG2  ILE  21          2HG2      ILE  21   7.192  -3.566   8.514
  148   3HG2  ILE  21          3HG2      ILE  21   8.649  -4.556   8.451
  149   1HD1  ILE  21          1HD1      ILE  21   5.292  -3.248   7.260
  150   2HD1  ILE  21          2HD1      ILE  21   4.722  -2.996   5.609
  151   3HD1  ILE  21          3HD1      ILE  21   6.006  -1.979   6.263
  Start of MODEL   13
    1   1H    THR   3          1H        THR   3  11.640   1.024  -2.427
    2    HA   THR   3           HA       THR   3  11.462  -0.623  -4.816
    3    HB   THR   3           HB       THR   3  13.737  -1.282  -4.325
    4    HG1  THR   3           1HG      THR   3  13.201  -0.048  -1.856
    5   1HG2  THR   3          1HG2      THR   3  14.788   0.667  -4.817
    6   2HG2  THR   3          2HG2      THR   3  13.865   1.596  -3.637
    7   3HG2  THR   3          3HG2      THR   3  13.127   1.138  -5.173
    8    H    ARG   4           H        ARG   4  10.004  -0.906  -2.006
    9    HA   ARG   4           HA       ARG   4  10.484  -3.799  -1.780
   10   1HB   ARG   4          2HB       ARG   4   9.823  -3.649   0.563
   11   2HB   ARG   4          1HB       ARG   4  11.181  -2.574   0.229
   12   1HG   ARG   4          2HG       ARG   4   9.887  -1.178   1.468
   13   2HG   ARG   4          1HG       ARG   4   9.241  -0.820  -0.135
   14   1HD   ARG   4          2HD       ARG   4   7.248  -1.256   0.789
   15   2HD   ARG   4          1HD       ARG   4   7.718  -2.951   0.608
   16    HE   ARG   4           HE       ARG   4   8.524  -1.659   3.078
   17   1HH1  ARG   4          1HH1      ARG   4   6.167  -3.664   1.456
   18   2HH1  ARG   4          2HH1      ARG   4   5.557  -4.346   2.924
   19   1HH2  ARG   4          1HH2      ARG   4   7.718  -2.556   5.006
   20   2HH2  ARG   4          2HH2      ARG   4   6.433  -3.717   4.938
   21    H    LYS   5           H        LYS   5   8.107  -1.242  -1.983
   22    HA   LYS   5           HA       LYS   5   5.916  -1.267  -2.607
   23   1HB   LYS   5          2HB       LYS   5   6.934  -3.365  -3.974
   24   2HB   LYS   5          1HB       LYS   5   5.750  -4.197  -2.976
   25   1HG   LYS   5          2HG       LYS   5   4.593  -1.830  -4.120
   26   2HG   LYS   5          1HG       LYS   5   5.314  -2.842  -5.384
   27   1HD   LYS   5          2HD       LYS   5   4.083  -4.788  -4.268
   28   2HD   LYS   5          1HD       LYS   5   3.167  -3.554  -3.400
   29   1HE   LYS   5          2HE       LYS   5   1.841  -3.281  -5.158
   30   2HE   LYS   5          1HE       LYS   5   3.229  -2.856  -6.159
   31   1HZ   LYS   5          1HZ       LYS   5   3.589  -5.299  -6.450
   32   2HZ   LYS   5          2HZ       LYS   5   2.174  -4.702  -7.163
   33   3HZ   LYS   5          3HZ       LYS   5   2.090  -5.556  -5.707
   34    H    SER   6           H        SER   6   4.414  -0.956  -1.117
   35    HA   SER   6           HA       SER   6   3.698  -3.133   0.692
   36   1HB   SER   6          2HB       SER   6   3.889  -1.826   2.678
   37   2HB   SER   6          1HB       SER   6   5.413  -1.629   1.813
   38    HG   SER   6           HG       SER   6   4.317   0.325   0.902
   39    H    ILE   7           H        ILE   7   1.838  -3.175  -0.710
   40    HA   ILE   7           HA       ILE   7   0.047  -0.874  -0.572
   41    HB   ILE   7           HB       ILE   7  -0.358  -3.482  -2.034
   42   1HG1  ILE   7          2HG1      ILE   7   1.668  -2.154  -2.745
   43   2HG1  ILE   7          1HG1      ILE   7   0.470  -2.420  -4.009
   44   1HG2  ILE   7          1HG2      ILE   7  -1.861  -1.810  -3.396
   45   2HG2  ILE   7          2HG2      ILE   7  -1.873  -0.925  -1.870
   46   3HG2  ILE   7          3HG2      ILE   7  -2.462  -2.587  -1.932
   47   1HD1  ILE   7          1HD1      ILE   7   1.203  -0.183  -4.194
   48   2HD1  ILE   7          2HD1      ILE   7   0.998   0.100  -2.466
   49   3HD1  ILE   7          3HD1      ILE   7  -0.415  -0.127  -3.494
   50    H    HIS   8           H        HIS   8  -1.488  -0.723   0.914
   51    HA   HIS   8           HA       HIS   8  -2.603  -3.195   2.057
   52   1HB   HIS   8          2HB       HIS   8  -1.517  -0.789   3.478
   53   2HB   HIS   8          1HB       HIS   8  -2.822  -1.715   4.209
   54    HD1  HIS   8           1HD      HIS   8  -2.182  -3.800   5.437
   55    HD2  HIS   8           2HD      HIS   8   0.900  -2.349   3.057
   56    HE1  HIS   8           1HE      HIS   8  -0.174  -5.201   6.011
   57    HE2  HIS   8           2HE      HIS   8   1.655  -4.365   4.491
   58    H    ILE   9           H        ILE   9  -4.264  -2.776   0.418
   59    HA   ILE   9           HA       ILE   9  -6.143  -0.663   1.253
   60    HB   ILE   9           HB       ILE   9  -6.083  -1.970  -1.462
   61   1HG1  ILE   9          2HG1      ILE   9  -3.961  -0.823  -1.156
   62   2HG1  ILE   9          1HG1      ILE   9  -4.976   0.103  -2.258
   63   1HG2  ILE   9          1HG2      ILE   9  -8.117  -1.000  -1.442
   64   2HG2  ILE   9          2HG2      ILE   9  -7.193   0.457  -1.810
   65   3HG2  ILE   9          3HG2      ILE   9  -7.690   0.121  -0.150
   66   1HD1  ILE   9          1HD1      ILE   9  -5.539   1.643  -0.477
   67   2HD1  ILE   9          2HD1      ILE   9  -3.790   1.528  -0.671
   68   3HD1  ILE   9          3HD1      ILE   9  -4.586   0.698   0.666
   69    H    GLY  10           H        GLY  10  -8.380  -1.162   1.312
   70   1HA   GLY  10          2HA       GLY  10  -9.151  -3.957   0.974
   71   2HA   GLY  10          1HA       GLY  10  -9.277  -3.299   2.597
   72    HA   PRO  11           HA       PRO  11 -13.468  -2.771   0.745
   73   1HB   PRO  11          2HB       PRO  11 -14.000  -2.372   3.644
   74   2HB   PRO  11          1HB       PRO  11 -14.870  -3.359   2.464
   75   1HG   PRO  11          2HG       PRO  11 -13.285  -4.495   4.277
   76   2HG   PRO  11          1HG       PRO  11 -13.356  -5.109   2.613
   77   1HD   PRO  11          2HD       PRO  11 -11.258  -3.436   3.930
   78   2HD   PRO  11          1HD       PRO  11 -11.079  -4.753   2.749
   79    H    GLY  12           H        GLY  12 -11.491  -0.796   2.809
   80   1HA   GLY  12          2HA       GLY  12 -13.124   1.466   3.065
   81   2HA   GLY  12          1HA       GLY  12 -11.368   1.472   3.113
   82    H    ARG  13           H        ARG  13 -11.268   3.446   1.999
   83    HA   ARG  13           HA       ARG  13 -11.420   3.151  -0.883
   84   1HB   ARG  13          2HB       ARG  13 -13.259   4.869   0.684
   85   2HB   ARG  13          1HB       ARG  13 -12.560   5.590  -0.759
   86   1HG   ARG  13          2HG       ARG  13 -13.725   4.255  -2.163
   87   2HG   ARG  13          1HG       ARG  13 -13.700   2.882  -1.054
   88   1HD   ARG  13          2HD       ARG  13 -15.227   4.721   0.294
   89   2HD   ARG  13          1HD       ARG  13 -15.689   4.995  -1.387
   90    HE   ARG  13           HE       ARG  13 -16.337   2.728   0.231
   91   1HH1  ARG  13          1HH1      ARG  13 -15.765   3.785  -3.046
   92   2HH1  ARG  13          2HH1      ARG  13 -16.719   2.523  -3.751
   93   1HH2  ARG  13          1HH2      ARG  13 -17.589   1.066  -0.695
   94   2HH2  ARG  13          2HH2      ARG  13 -17.754   0.980  -2.417
   95    H    ALA  14           H        ALA  14  -9.347   3.519   1.174
   96    HA   ALA  14           HA       ALA  14  -8.255   6.117   0.314
   97   1HB   ALA  14          1HB       ALA  14  -8.089   4.619   2.873
   98   2HB   ALA  14          2HB       ALA  14  -8.259   6.349   2.582
   99   3HB   ALA  14          3HB       ALA  14  -6.689   5.571   2.382
  100    H    PHE  15           H        PHE  15  -5.766   6.102   0.337
  101    HA   PHE  15           HA       PHE  15  -4.735   3.557  -0.710
  102   1HB   PHE  15          2HB       PHE  15  -5.402   5.329  -2.494
  103   2HB   PHE  15          1HB       PHE  15  -3.940   6.162  -1.975
  104    HD1  PHE  15           1HD      PHE  15  -1.853   4.434  -1.743
  105    HD2  PHE  15           2HD      PHE  15  -5.186   4.030  -4.359
  106    HE1  PHE  15           1HE      PHE  15  -0.509   3.006  -3.229
  107    HE2  PHE  15           2HE      PHE  15  -3.849   2.598  -5.848
  108    HZ   PHE  15           HZ       PHE  15  -1.508   2.084  -5.283
  109    H    TYR  16           H        TYR  16  -3.658   3.247   1.266
  110    HA   TYR  16           HA       TYR  16  -1.458   5.132   1.797
  111   1HB   TYR  16          2HB       TYR  16  -1.632   3.426   4.001
  112   2HB   TYR  16          1HB       TYR  16  -2.191   5.098   3.915
  113    HD1  TYR  16           1HD      TYR  16  -4.458   5.592   4.187
  114    HD2  TYR  16           2HD      TYR  16  -3.297   1.589   3.334
  115    HE1  TYR  16           1HE      TYR  16  -6.766   4.844   4.587
  116    HE2  TYR  16           2HE      TYR  16  -5.601   0.831   3.731
  117    HH   TYR  16           HH       TYR  16  -7.942   2.759   5.220
  118    H    THR  17           H        THR  17   0.377   4.447   0.922
  119    HA   THR  17           HA       THR  17   1.288   1.743   1.475
  120    HB   THR  17           HB       THR  17   1.636   1.076  -0.750
  121    HG1  THR  17           1HG      THR  17   2.263   2.537  -2.097
  122   1HG2  THR  17          1HG2      THR  17  -0.726   0.920  -0.229
  123   2HG2  THR  17          2HG2      THR  17  -0.484   1.314  -1.931
  124   3HG2  THR  17          3HG2      THR  17  -0.974   2.570  -0.795
  125    H    THR  18           H        THR  18   3.385   1.725   1.956
  126    HA   THR  18           HA       THR  18   4.999   4.068   1.190
  127    HB   THR  18           HB       THR  18   6.251   3.814   3.219
  128    HG1  THR  18           1HG      THR  18   4.690   1.525   3.801
  129   1HG2  THR  18          1HG2      THR  18   4.149   4.981   3.546
  130   2HG2  THR  18          2HG2      THR  18   4.583   4.044   4.976
  131   3HG2  THR  18          3HG2      THR  18   3.339   3.450   3.878
  132    H    GLY  19           H        GLY  19   7.503   3.133   1.835
  133   1HA   GLY  19          2HA       GLY  19   8.091   0.551   0.858
  134   2HA   GLY  19          1HA       GLY  19   8.240   1.715  -0.447
  135    H    GLU  20           H        GLU  20  10.491   0.719  -0.248
  136    HA   GLU  20           HA       GLU  20  12.079   2.349   1.625
  137   1HB   GLU  20          2HB       GLU  20  12.287  -0.521   0.857
  138   2HB   GLU  20          1HB       GLU  20  13.790   0.361   1.129
  139   1HG   GLU  20          2HG       GLU  20  11.634   0.549   3.169
  140   2HG   GLU  20          1HG       GLU  20  12.588  -0.929   3.071
  141    H    ILE  21           H        ILE  21  14.544   2.159   0.717
  142    HA   ILE  21           HA       ILE  21  14.422   2.933  -2.124
  143    HB   ILE  21           HB       ILE  21  16.213   4.205  -0.056
  144   1HG1  ILE  21          2HG1      ILE  21  14.095   5.810  -1.342
  145   2HG1  ILE  21          1HG1      ILE  21  13.523   4.596  -0.202
  146   1HG2  ILE  21          1HG2      ILE  21  15.647   5.541  -2.615
  147   2HG2  ILE  21          2HG2      ILE  21  16.606   4.065  -2.723
  148   3HG2  ILE  21          3HG2      ILE  21  17.157   5.403  -1.713
  149   1HD1  ILE  21          1HD1      ILE  21  13.897   6.099   1.381
  150   2HD1  ILE  21          2HD1      ILE  21  14.807   7.137   0.282
  151   3HD1  ILE  21          3HD1      ILE  21  15.618   5.814   1.120
  Start of MODEL   14
    1   1H    THR   3          1H        THR   3  10.715  -5.755   4.845
    2    HA   THR   3           HA       THR   3  10.095  -2.973   5.436
    3    HB   THR   3           HB       THR   3  12.671  -2.844   4.800
    4    HG1  THR   3           1HG      THR   3  13.036  -4.886   4.125
    5   1HG2  THR   3          1HG2      THR   3  11.320  -3.600   7.289
    6   2HG2  THR   3          2HG2      THR   3  12.491  -2.321   6.968
    7   3HG2  THR   3          3HG2      THR   3  13.039  -3.979   7.214
    8    H    ARG   4           H        ARG   4   8.643  -3.461   3.337
    9    HA   ARG   4           HA       ARG   4  10.021  -2.074   1.174
   10   1HB   ARG   4          2HB       ARG   4   9.338  -3.583  -0.521
   11   2HB   ARG   4          1HB       ARG   4  10.125  -4.535   0.739
   12   1HG   ARG   4          2HG       ARG   4   7.202  -4.247   0.976
   13   2HG   ARG   4          1HG       ARG   4   7.798  -5.177  -0.392
   14   1HD   ARG   4          2HD       ARG   4   9.272  -5.960   1.904
   15   2HD   ARG   4          1HD       ARG   4   7.557  -5.963   2.328
   16    HE   ARG   4           HE       ARG   4   7.217  -7.718   0.872
   17   1HH1  ARG   4          1HH1      ARG   4  10.451  -6.463   0.458
   18   2HH1  ARG   4          2HH1      ARG   4  10.972  -7.791  -0.522
   19   1HH2  ARG   4          1HH2      ARG   4   7.904  -9.459  -0.419
   20   2HH2  ARG   4          2HH2      ARG   4   9.528  -9.490  -1.020
   21    H    LYS   5           H        LYS   5   8.021  -2.100  -0.712
   22    HA   LYS   5           HA       LYS   5   6.331  -0.057   0.154
   23   1HB   LYS   5          2HB       LYS   5   6.860  -0.479  -2.211
   24   2HB   LYS   5          1HB       LYS   5   5.920  -1.964  -2.157
   25   1HG   LYS   5          2HG       LYS   5   3.963  -0.890  -2.358
   26   2HG   LYS   5          1HG       LYS   5   4.468   0.439  -1.300
   27   1HD   LYS   5          2HD       LYS   5   5.944   1.185  -3.249
   28   2HD   LYS   5          1HD       LYS   5   5.004   0.066  -4.236
   29   1HE   LYS   5          2HE       LYS   5   3.278   1.475  -4.344
   30   2HE   LYS   5          1HE       LYS   5   3.306   1.757  -2.605
   31   1HZ   LYS   5          1HZ       LYS   5   3.854   3.820  -3.309
   32   2HZ   LYS   5          2HZ       LYS   5   4.552   3.284  -4.753
   33   3HZ   LYS   5          3HZ       LYS   5   5.414   3.167  -3.305
   34    H    SER   6           H        SER   6   4.634  -0.085   1.455
   35    HA   SER   6           HA       SER   6   3.212  -2.623   1.871
   36   1HB   SER   6          2HB       SER   6   2.601  -1.847   4.030
   37   2HB   SER   6          1HB       SER   6   4.297  -1.401   3.833
   38    HG   SER   6           HG       SER   6   3.601   0.519   4.330
   39    H    ILE   7           H        ILE   7   1.067  -2.815   1.485
   40    HA   ILE   7           HA       ILE   7  -0.403  -0.399   0.679
   41    HB   ILE   7           HB       ILE   7  -0.566  -3.067  -0.727
   42   1HG1  ILE   7          2HG1      ILE   7   1.536  -1.843  -1.191
   43   2HG1  ILE   7          1HG1      ILE   7   0.501  -1.957  -2.612
   44   1HG2  ILE   7          1HG2      ILE   7  -2.148  -0.564  -0.876
   45   2HG2  ILE   7          2HG2      ILE   7  -2.651  -2.239  -1.097
   46   3HG2  ILE   7          3HG2      ILE   7  -1.796  -1.397  -2.389
   47   1HD1  ILE   7          1HD1      ILE   7   1.050   0.223  -2.778
   48   2HD1  ILE   7          2HD1      ILE   7   1.320   0.403  -1.043
   49   3HD1  ILE   7          3HD1      ILE   7  -0.324   0.400  -1.685
   50    H    HIS   8           H        HIS   8  -2.253  -0.140   1.721
   51    HA   HIS   8           HA       HIS   8  -3.578  -2.511   2.861
   52   1HB   HIS   8          2HB       HIS   8  -3.062   0.159   4.170
   53   2HB   HIS   8          1HB       HIS   8  -4.275  -0.970   4.766
   54    HD1  HIS   8           1HD      HIS   8  -2.384  -3.518   4.161
   55    HD2  HIS   8           2HD      HIS   8  -1.448  -0.165   6.426
   56    HE1  HIS   8           1HE      HIS   8  -0.557  -4.253   5.724
   57    HE2  HIS   8           2HE      HIS   8   0.060  -2.181   7.017
   58    H    ILE   9           H        ILE   9  -5.149  -2.648   1.296
   59    HA   ILE   9           HA       ILE   9  -7.013  -0.371   1.156
   60    HB   ILE   9           HB       ILE   9  -7.611  -1.282  -1.153
   61   1HG1  ILE   9          2HG1      ILE   9  -4.901  -2.586  -0.802
   62   2HG1  ILE   9          1HG1      ILE   9  -6.438  -3.432  -0.949
   63   1HG2  ILE   9          1HG2      ILE   9  -6.537   0.548  -1.787
   64   2HG2  ILE   9          2HG2      ILE   9  -4.996  -0.302  -1.698
   65   3HG2  ILE   9          3HG2      ILE   9  -5.625   0.535  -0.279
   66   1HD1  ILE   9          1HD1      ILE   9  -5.992  -1.614  -3.153
   67   2HD1  ILE   9          2HD1      ILE   9  -6.372  -3.337  -3.163
   68   3HD1  ILE   9          3HD1      ILE   9  -4.700  -2.802  -2.994
   69    H    GLY  10           H        GLY  10  -8.807  -0.886   2.211
   70   1HA   GLY  10          2HA       GLY  10  -9.711  -3.690   2.183
   71   2HA   GLY  10          1HA       GLY  10 -10.163  -2.490   3.383
   72    HA   PRO  11           HA       PRO  11 -13.620  -3.040   0.232
   73   1HB   PRO  11          2HB       PRO  11 -15.213  -2.943   2.724
   74   2HB   PRO  11          1HB       PRO  11 -15.326  -4.060   1.360
   75   1HG   PRO  11          2HG       PRO  11 -14.303  -4.841   3.702
   76   2HG   PRO  11          1HG       PRO  11 -13.640  -5.425   2.164
   77   1HD   PRO  11          2HD       PRO  11 -12.581  -3.320   4.011
   78   2HD   PRO  11          1HD       PRO  11 -11.703  -4.565   3.100
   79    H    GLY  12           H        GLY  12 -13.851  -1.085  -0.686
   80   1HA   GLY  12          2HA       GLY  12 -14.402   1.127  -0.968
   81   2HA   GLY  12          1HA       GLY  12 -15.515   0.889   0.368
   82    H    ARG  13           H        ARG  13 -12.422   2.098  -0.610
   83    HA   ARG  13           HA       ARG  13 -12.273   3.881   1.581
   84   1HB   ARG  13          2HB       ARG  13  -9.969   2.809   2.334
   85   2HB   ARG  13          1HB       ARG  13 -11.491   2.300   3.044
   86   1HG   ARG  13          2HG       ARG  13 -10.083   0.400   2.509
   87   2HG   ARG  13          1HG       ARG  13 -11.564   0.384   1.550
   88   1HD   ARG  13          2HD       ARG  13  -9.291   1.783   0.317
   89   2HD   ARG  13          1HD       ARG  13  -9.070   0.049   0.532
   90    HE   ARG  13           HE       ARG  13 -11.526   0.225  -0.591
   91   1HH1  ARG  13          1HH1      ARG  13  -8.399   1.510  -1.461
   92   2HH1  ARG  13          2HH1      ARG  13  -8.723   1.487  -3.160
   93   1HH2  ARG  13          1HH2      ARG  13 -11.953   0.195  -2.828
   94   2HH2  ARG  13          2HH2      ARG  13 -10.740   0.741  -3.939
   95    H    ALA  14           H        ALA  14  -9.514   4.353   1.652
   96    HA   ALA  14           HA       ALA  14  -9.142   5.471  -1.015
   97   1HB   ALA  14          1HB       ALA  14  -8.169   6.128   1.700
   98   2HB   ALA  14          2HB       ALA  14  -8.724   7.186   0.402
   99   3HB   ALA  14          3HB       ALA  14  -7.096   6.508   0.351
  100    H    PHE  15           H        PHE  15  -6.591   5.728  -1.452
  101    HA   PHE  15           HA       PHE  15  -5.563   2.975  -1.557
  102   1HB   PHE  15          2HB       PHE  15  -6.059   4.388  -3.687
  103   2HB   PHE  15          1HB       PHE  15  -4.569   5.221  -3.278
  104    HD1  PHE  15           1HD      PHE  15  -5.290   1.623  -2.884
  105    HD2  PHE  15           2HD      PHE  15  -3.170   4.620  -5.027
  106    HE1  PHE  15           1HE      PHE  15  -3.994  -0.108  -4.022
  107    HE2  PHE  15           2HE      PHE  15  -1.865   2.881  -6.178
  108    HZ   PHE  15           HZ       PHE  15  -2.276   0.505  -5.676
  109    H    TYR  16           H        TYR  16  -4.015   2.550  -0.126
  110    HA   TYR  16           HA       TYR  16  -2.276   4.737   0.776
  111   1HB   TYR  16          2HB       TYR  16  -2.930   2.054   2.006
  112   2HB   TYR  16          1HB       TYR  16  -1.684   3.136   2.637
  113    HD1  TYR  16           1HD      TYR  16  -5.308   3.137   1.723
  114    HD2  TYR  16           2HD      TYR  16  -2.266   4.662   4.275
  115    HE1  TYR  16           1HE      TYR  16  -7.014   4.319   3.039
  116    HE2  TYR  16           2HE      TYR  16  -3.965   5.849   5.600
  117    HH   TYR  16           HH       TYR  16  -6.937   5.213   5.774
  118    H    THR  17           H        THR  17  -0.510   4.876  -0.457
  119    HA   THR  17           HA       THR  17   1.075   2.435  -0.860
  120    HB   THR  17           HB       THR  17   1.563   2.952  -3.103
  121    HG1  THR  17           1HG      THR  17   1.624   4.918  -3.806
  122   1HG2  THR  17          1HG2      THR  17  -1.330   3.502  -2.562
  123   2HG2  THR  17          2HG2      THR  17  -0.579   2.026  -3.171
  124   3HG2  THR  17          3HG2      THR  17  -0.668   3.460  -4.194
  125    H    THR  18           H        THR  18   2.855   2.691   0.304
  126    HA   THR  18           HA       THR  18   4.285   5.254   0.119
  127    HB   THR  18           HB       THR  18   3.147   5.126   2.298
  128    HG1  THR  18           1HG      THR  18   5.932   4.721   2.612
  129   1HG2  THR  18          1HG2      THR  18   3.987   2.420   2.266
  130   2HG2  THR  18          2HG2      THR  18   2.985   3.256   3.452
  131   3HG2  THR  18          3HG2      THR  18   4.738   3.226   3.646
  132    H    GLY  19           H        GLY  19   6.610   5.058   0.705
  133   1HA   GLY  19          2HA       GLY  19   7.850   3.030  -0.788
  134   2HA   GLY  19          1HA       GLY  19   8.666   4.119   0.323
  135    H    GLU  20           H        GLU  20  10.056   2.477   1.038
  136    HA   GLU  20           HA       GLU  20   8.993   0.061   2.184
  137   1HB   GLU  20          2HB       GLU  20  11.799   1.124   2.506
  138   2HB   GLU  20          1HB       GLU  20  11.254  -0.551   2.618
  139   1HG   GLU  20          2HG       GLU  20  11.946  -0.744   0.515
  140   2HG   GLU  20          1HG       GLU  20  10.492   0.155   0.085
  141    H    ILE  21           H        ILE  21   9.393  -0.588   4.414
  142    HA   ILE  21           HA       ILE  21   9.074   1.689   6.249
  143    HB   ILE  21           HB       ILE  21   7.172   0.135   6.186
  144   1HG1  ILE  21          2HG1      ILE  21   8.335  -0.462   8.844
  145   2HG1  ILE  21          1HG1      ILE  21   8.302   1.235   8.378
  146   1HG2  ILE  21          1HG2      ILE  21   8.079  -1.936   5.597
  147   2HG2  ILE  21          2HG2      ILE  21   7.560  -2.147   7.270
  148   3HG2  ILE  21          3HG2      ILE  21   9.266  -1.889   6.900
  149   1HD1  ILE  21          1HD1      ILE  21   6.035   1.353   8.460
  150   2HD1  ILE  21          2HD1      ILE  21   6.305   0.095   9.667
  151   3HD1  ILE  21          3HD1      ILE  21   5.819  -0.343   8.028
  Start of MODEL   15
    1   1H    THR   3          1H        THR   3  11.227  -7.489   1.940
    2    HA   THR   3           HA       THR   3   8.623  -7.014   3.183
    3    HB   THR   3           HB       THR   3  10.311  -7.856   4.677
    4    HG1  THR   3           1HG      THR   3  10.129  -6.336   6.228
    5   1HG2  THR   3          1HG2      THR   3  12.393  -7.374   3.813
    6   2HG2  THR   3          2HG2      THR   3  12.285  -6.285   5.196
    7   3HG2  THR   3          3HG2      THR   3  12.012  -5.670   3.567
    8    H    ARG   4           H        ARG   4   9.719  -5.606   0.730
    9    HA   ARG   4           HA       ARG   4   9.769  -2.860   1.751
   10   1HB   ARG   4          2HB       ARG   4  10.331  -2.507  -0.845
   11   2HB   ARG   4          1HB       ARG   4  11.565  -2.851   0.369
   12   1HG   ARG   4          2HG       ARG   4  11.947  -4.227  -1.554
   13   2HG   ARG   4          1HG       ARG   4  11.405  -5.253  -0.225
   14   1HD   ARG   4          2HD       ARG   4   9.685  -5.982  -1.429
   15   2HD   ARG   4          1HD       ARG   4   9.140  -4.323  -1.720
   16    HE   ARG   4           HE       ARG   4   9.924  -4.546  -3.840
   17   1HH1  ARG   4          1HH1      ARG   4  11.723  -6.736  -1.807
   18   2HH1  ARG   4          2HH1      ARG   4  12.656  -7.383  -3.114
   19   1HH2  ARG   4          1HH2      ARG   4  11.149  -5.394  -5.562
   20   2HH2  ARG   4          2HH2      ARG   4  12.331  -6.621  -5.247
   21    H    LYS   5           H        LYS   5   8.571  -1.213   0.563
   22    HA   LYS   5           HA       LYS   5   6.678  -0.333  -0.335
   23   1HB   LYS   5          2HB       LYS   5   7.372  -1.802  -2.278
   24   2HB   LYS   5          1HB       LYS   5   6.238  -3.002  -1.672
   25   1HG   LYS   5          2HG       LYS   5   4.707  -2.018  -2.942
   26   2HG   LYS   5          1HG       LYS   5   4.738  -0.680  -1.782
   27   1HD   LYS   5          2HD       LYS   5   6.844   0.007  -3.279
   28   2HD   LYS   5          1HD       LYS   5   5.926  -0.887  -4.492
   29   1HE   LYS   5          2HE       LYS   5   4.810   1.019  -4.825
   30   2HE   LYS   5          1HE       LYS   5   4.005   0.672  -3.295
   31   1HZ   LYS   5          1HZ       LYS   5   5.713   1.972  -2.161
   32   2HZ   LYS   5          2HZ       LYS   5   4.890   2.906  -3.307
   33   3HZ   LYS   5          3HZ       LYS   5   6.445   2.329  -3.644
   34    H    SER   6           H        SER   6   5.351  -0.012   1.369
   35    HA   SER   6           HA       SER   6   3.910  -2.247   2.546
   36   1HB   SER   6          2HB       SER   6   3.581   0.654   3.298
   37   2HB   SER   6          1HB       SER   6   3.311  -0.776   4.295
   38    HG   SER   6           HG       SER   6   5.264  -0.311   4.960
   39    H    ILE   7           H        ILE   7   2.508  -2.849   0.880
   40    HA   ILE   7           HA       ILE   7   0.492  -0.864   0.084
   41    HB   ILE   7           HB       ILE   7   1.054  -3.543  -1.188
   42   1HG1  ILE   7          2HG1      ILE   7   2.973  -2.044  -1.443
   43   2HG1  ILE   7          1HG1      ILE   7   2.143  -2.254  -2.982
   44   1HG2  ILE   7          1HG2      ILE   7  -1.157  -2.956  -1.702
   45   2HG2  ILE   7          2HG2      ILE   7  -0.222  -2.419  -3.096
   46   3HG2  ILE   7          3HG2      ILE   7  -0.754  -1.250  -1.887
   47   1HD1  ILE   7          1HD1      ILE   7   2.652   0.148  -1.469
   48   2HD1  ILE   7          2HD1      ILE   7   0.941  -0.028  -1.860
   49   3HD1  ILE   7          3HD1      ILE   7   2.145  -0.046  -3.147
   50    H    HIS   8           H        HIS   8  -1.475  -0.984   0.929
   51    HA   HIS   8           HA       HIS   8  -2.522  -3.587   1.778
   52   1HB   HIS   8          2HB       HIS   8  -1.507  -1.903   3.641
   53   2HB   HIS   8          1HB       HIS   8  -3.166  -1.322   3.571
   54    HD1  HIS   8           1HD      HIS   8  -3.978  -2.230   5.777
   55    HD2  HIS   8           2HD      HIS   8  -2.218  -5.137   3.387
   56    HE1  HIS   8           1HE      HIS   8  -4.449  -4.418   6.924
   57    HE2  HIS   8           2HE      HIS   8  -3.297  -6.153   5.506
   58    H    ILE   9           H        ILE   9  -4.706  -3.840   1.511
   59    HA   ILE   9           HA       ILE   9  -6.195  -1.517   0.477
   60    HB   ILE   9           HB       ILE   9  -6.563  -4.346  -0.503
   61   1HG1  ILE   9          2HG1      ILE   9  -4.326  -3.478  -1.117
   62   2HG1  ILE   9          1HG1      ILE   9  -5.368  -3.694  -2.521
   63   1HG2  ILE   9          1HG2      ILE   9  -8.543  -3.076  -0.796
   64   2HG2  ILE   9          2HG2      ILE   9  -7.746  -3.136  -2.367
   65   3HG2  ILE   9          3HG2      ILE   9  -7.643  -1.678  -1.379
   66   1HD1  ILE   9          1HD1      ILE   9  -3.958  -1.582  -2.408
   67   2HD1  ILE   9          2HD1      ILE   9  -5.082  -1.040  -1.163
   68   3HD1  ILE   9          3HD1      ILE   9  -5.669  -1.394  -2.788
   69    H    GLY  10           H        GLY  10  -8.411  -1.433   0.944
   70   1HA   GLY  10          2HA       GLY  10  -9.445  -3.465   2.795
   71   2HA   GLY  10          1HA       GLY  10  -9.451  -1.782   3.296
   72    HA   PRO  11           HA       PRO  11 -13.175  -3.066   0.467
   73   1HB   PRO  11          2HB       PRO  11 -14.684  -3.543   2.957
   74   2HB   PRO  11          1HB       PRO  11 -14.619  -4.508   1.481
   75   1HG   PRO  11          2HG       PRO  11 -13.441  -5.326   3.746
   76   2HG   PRO  11          1HG       PRO  11 -12.730  -5.654   2.154
   77   1HD   PRO  11          2HD       PRO  11 -11.984  -3.569   4.172
   78   2HD   PRO  11          1HD       PRO  11 -10.936  -4.586   3.159
   79    H    GLY  12           H        GLY  12 -12.546  -0.640   0.534
   80   1HA   GLY  12          2HA       GLY  12 -14.825   0.896   0.853
   81   2HA   GLY  12          1HA       GLY  12 -13.919   1.071   2.348
   82    H    ARG  13           H        ARG  13 -12.571   0.696  -0.896
   83    HA   ARG  13           HA       ARG  13 -11.084   1.973  -2.057
   84   1HB   ARG  13          2HB       ARG  13 -12.873   4.178  -1.017
   85   2HB   ARG  13          1HB       ARG  13 -11.723   4.348  -2.335
   86   1HG   ARG  13          2HG       ARG  13 -13.055   2.367  -3.380
   87   2HG   ARG  13          1HG       ARG  13 -14.318   2.883  -2.262
   88   1HD   ARG  13          2HD       ARG  13 -13.019   5.012  -3.845
   89   2HD   ARG  13          1HD       ARG  13 -14.027   3.878  -4.743
   90    HE   ARG  13           HE       ARG  13 -15.896   4.722  -3.683
   91   1HH1  ARG  13          1HH1      ARG  13 -13.012   6.037  -2.213
   92   2HH1  ARG  13          2HH1      ARG  13 -13.871   7.241  -1.314
   93   1HH2  ARG  13          1HH2      ARG  13 -17.023   6.305  -2.503
   94   2HH2  ARG  13          2HH2      ARG  13 -16.146   7.392  -1.477
   95    H    ALA  14           H        ALA  14 -10.118   1.262   0.430
   96    HA   ALA  14           HA       ALA  14  -8.876   3.674   1.533
   97   1HB   ALA  14          1HB       ALA  14  -8.432   2.475   3.470
   98   2HB   ALA  14          2HB       ALA  14  -8.489   0.920   2.644
   99   3HB   ALA  14          3HB       ALA  14  -9.980   1.812   2.945
  100    H    PHE  15           H        PHE  15  -7.416   4.094  -0.169
  101    HA   PHE  15           HA       PHE  15  -5.334   2.082  -0.627
  102   1HB   PHE  15          2HB       PHE  15  -6.687   3.748  -2.383
  103   2HB   PHE  15          1HB       PHE  15  -5.121   4.532  -2.199
  104    HD1  PHE  15           1HD      PHE  15  -3.328   2.238  -1.882
  105    HD2  PHE  15           2HD      PHE  15  -6.651   2.785  -4.482
  106    HE1  PHE  15           1HE      PHE  15  -2.342   0.639  -3.469
  107    HE2  PHE  15           2HE      PHE  15  -5.672   1.186  -6.075
  108    HZ   PHE  15           HZ       PHE  15  -3.516   0.110  -5.571
  109    H    TYR  16           H        TYR  16  -3.716   2.221   0.789
  110    HA   TYR  16           HA       TYR  16  -2.429   4.823   1.165
  111   1HB   TYR  16          2HB       TYR  16  -3.609   3.099   3.297
  112   2HB   TYR  16          1HB       TYR  16  -2.083   3.917   3.646
  113    HD1  TYR  16           1HD      TYR  16  -5.660   4.350   3.033
  114    HD2  TYR  16           2HD      TYR  16  -1.980   6.352   3.780
  115    HE1  TYR  16           1HE      TYR  16  -6.894   6.407   3.570
  116    HE2  TYR  16           2HE      TYR  16  -3.206   8.414   4.320
  117    HH   TYR  16           HH       TYR  16  -6.558   8.784   3.680
  118    H    THR  17           H        THR  17  -0.240   4.743   1.238
  119    HA   THR  17           HA       THR  17   1.122   2.223   1.704
  120    HB   THR  17           HB       THR  17   2.210   2.070  -0.382
  121    HG1  THR  17           1HG      THR  17   2.703   3.810  -1.408
  122   1HG2  THR  17          1HG2      THR  17   0.507   1.910  -2.051
  123   2HG2  THR  17          2HG2      THR  17  -0.559   2.970  -1.129
  124   3HG2  THR  17          3HG2      THR  17  -0.158   1.368  -0.510
  125    H    THR  18           H        THR  18   2.930   2.553   2.815
  126    HA   THR  18           HA       THR  18   4.482   4.980   2.435
  127    HB   THR  18           HB       THR  18   4.512   5.448   4.892
  128    HG1  THR  18           1HG      THR  18   2.297   3.679   4.943
  129   1HG2  THR  18          1HG2      THR  18   1.770   5.604   3.668
  130   2HG2  THR  18          2HG2      THR  18   3.064   6.782   3.453
  131   3HG2  THR  18          3HG2      THR  18   2.354   6.532   5.048
  132    H    GLY  19           H        GLY  19   6.375   4.903   4.182
  133   1HA   GLY  19          2HA       GLY  19   8.381   3.852   4.605
  134   2HA   GLY  19          1HA       GLY  19   7.353   2.621   5.322
  135    H    GLU  20           H        GLU  20   9.278   1.307   4.601
  136    HA   GLU  20           HA       GLU  20   8.607   0.083   2.060
  137   1HB   GLU  20          2HB       GLU  20  10.276   1.688   1.367
  138   2HB   GLU  20          1HB       GLU  20  11.365   1.157   2.650
  139   1HG   GLU  20          2HG       GLU  20  12.282  -0.039   0.987
  140   2HG   GLU  20          1HG       GLU  20  10.996  -1.176   1.397
  141    H    ILE  21           H        ILE  21  11.536  -0.204   3.995
  142    HA   ILE  21           HA       ILE  21  11.063  -3.056   4.271
  143    HB   ILE  21           HB       ILE  21  13.412  -1.477   5.311
  144   1HG1  ILE  21          2HG1      ILE  21  13.114  -1.151   2.868
  145   2HG1  ILE  21          1HG1      ILE  21  14.581  -2.045   3.257
  146   1HG2  ILE  21          1HG2      ILE  21  12.698  -4.328   5.168
  147   2HG2  ILE  21          2HG2      ILE  21  13.745  -3.472   6.301
  148   3HG2  ILE  21          3HG2      ILE  21  14.354  -3.928   4.710
  149   1HD1  ILE  21          1HD1      ILE  21  13.586  -4.103   2.587
  150   2HD1  ILE  21          2HD1      ILE  21  13.316  -2.919   1.307
  151   3HD1  ILE  21          3HD1      ILE  21  12.006  -3.342   2.410
  Start of MODEL   16
    1   1H    THR   3          1H        THR   3  15.133  -3.056   0.433
    2    HA   THR   3           HA       THR   3  13.453  -0.679   0.455
    3    HB   THR   3           HB       THR   3  15.144  -1.853  -1.761
    4    HG1  THR   3           1HG      THR   3  15.661   0.233   0.088
    5   1HG2  THR   3          1HG2      THR   3  15.064   0.640  -2.478
    6   2HG2  THR   3          2HG2      THR   3  13.556   0.656  -1.563
    7   3HG2  THR   3          3HG2      THR   3  13.753  -0.453  -2.921
    8    H    ARG   4           H        ARG   4  11.458  -1.870   0.768
    9    HA   ARG   4           HA       ARG   4  10.474  -3.082  -1.724
   10   1HB   ARG   4          2HB       ARG   4   9.040  -4.523  -0.444
   11   2HB   ARG   4          1HB       ARG   4  10.688  -4.683   0.173
   12   1HG   ARG   4          2HG       ARG   4   9.644  -2.687   1.740
   13   2HG   ARG   4          1HG       ARG   4   8.266  -3.762   1.500
   14   1HD   ARG   4          2HD       ARG   4  10.044  -5.622   2.058
   15   2HD   ARG   4          1HD       ARG   4  10.877  -4.277   2.844
   16    HE   ARG   4           HE       ARG   4   9.276  -4.283   4.486
   17   1HH1  ARG   4          1HH1      ARG   4   8.160  -6.214   1.800
   18   2HH1  ARG   4          2HH1      ARG   4   6.790  -6.836   2.655
   19   1HH2  ARG   4          1HH2      ARG   4   7.472  -5.102   5.612
   20   2HH2  ARG   4          2HH2      ARG   4   6.399  -6.205   4.819
   21    H    LYS   5           H        LYS   5   7.804  -3.183  -1.204
   22    HA   LYS   5           HA       LYS   5   7.027  -0.406  -0.632
   23   1HB   LYS   5          2HB       LYS   5   5.511  -0.408  -2.538
   24   2HB   LYS   5          1HB       LYS   5   7.159  -0.706  -3.069
   25   1HG   LYS   5          2HG       LYS   5   6.433  -2.491  -4.153
   26   2HG   LYS   5          1HG       LYS   5   6.057  -3.234  -2.588
   27   1HD   LYS   5          2HD       LYS   5   3.955  -1.444  -3.150
   28   2HD   LYS   5          1HD       LYS   5   4.273  -2.319  -4.645
   29   1HE   LYS   5          2HE       LYS   5   4.092  -4.441  -3.436
   30   2HE   LYS   5          1HE       LYS   5   3.759  -3.554  -1.951
   31   1HZ   LYS   5          1HZ       LYS   5   1.890  -4.465  -3.670
   32   2HZ   LYS   5          2HZ       LYS   5   2.025  -2.844  -4.134
   33   3HZ   LYS   5          3HZ       LYS   5   1.642  -3.237  -2.533
   34    H    SER   6           H        SER   6   5.213  -0.163   0.551
   35    HA   SER   6           HA       SER   6   3.704  -2.608   1.207
   36   1HB   SER   6          2HB       SER   6   3.751  -0.208   3.005
   37   2HB   SER   6          1HB       SER   6   3.483  -1.902   3.414
   38    HG   SER   6           HG       SER   6   5.585  -1.022   4.007
   39    H    ILE   7           H        ILE   7   1.671  -2.655   0.532
   40    HA   ILE   7           HA       ILE   7   0.218  -0.115   0.235
   41    HB   ILE   7           HB       ILE   7   0.024  -2.441  -1.681
   42   1HG1  ILE   7          2HG1      ILE   7   2.179  -1.193  -1.837
   43   2HG1  ILE   7          1HG1      ILE   7   1.189  -1.060  -3.289
   44   1HG2  ILE   7          1HG2      ILE   7  -1.079  -0.302  -2.935
   45   2HG2  ILE   7          2HG2      ILE   7  -1.547   0.003  -1.262
   46   3HG2  ILE   7          3HG2      ILE   7  -1.990  -1.516  -2.040
   47   1HD1  ILE   7          1HD1      ILE   7   1.986   1.089  -2.953
   48   2HD1  ILE   7          2HD1      ILE   7   1.763   1.005  -1.206
   49   3HD1  ILE   7          3HD1      ILE   7   0.361   1.143  -2.268
   50    H    HIS   8           H        HIS   8  -1.937  -0.126   0.767
   51    HA   HIS   8           HA       HIS   8  -2.981  -2.641   1.897
   52   1HB   HIS   8          2HB       HIS   8  -2.316  -0.797   3.555
   53   2HB   HIS   8          1HB       HIS   8  -3.706   0.091   2.939
   54    HD1  HIS   8           1HD      HIS   8  -3.018  -1.580   5.799
   55    HD2  HIS   8           2HD      HIS   8  -5.969  -2.199   2.941
   56    HE1  HIS   8           1HE      HIS   8  -4.838  -2.854   6.977
   57    HE2  HIS   8           2HE      HIS   8  -6.655  -3.130   5.254
   58    H    ILE   9           H        ILE   9  -4.445  -3.340   0.472
   59    HA   ILE   9           HA       ILE   9  -6.662  -1.552  -0.200
   60    HB   ILE   9           HB       ILE   9  -5.320  -3.247  -2.306
   61   1HG1  ILE   9          2HG1      ILE   9  -5.210  -0.238  -2.003
   62   2HG1  ILE   9          1HG1      ILE   9  -3.903  -1.324  -1.541
   63   1HG2  ILE   9          1HG2      ILE   9  -7.753  -1.579  -2.185
   64   2HG2  ILE   9          2HG2      ILE   9  -7.401  -3.011  -3.154
   65   3HG2  ILE   9          3HG2      ILE   9  -6.777  -1.437  -3.647
   66   1HD1  ILE   9          1HD1      ILE   9  -4.810  -1.755  -4.266
   67   2HD1  ILE   9          2HD1      ILE   9  -3.183  -1.501  -3.635
   68   3HD1  ILE   9          3HD1      ILE   9  -4.222  -0.117  -3.982
   69    H    GLY  10           H        GLY  10  -8.471  -2.540   0.404
   70   1HA   GLY  10          2HA       GLY  10  -8.559  -5.491   0.264
   71   2HA   GLY  10          1HA       GLY  10  -9.396  -4.545   1.485
   72    HA   PRO  11           HA       PRO  11 -12.913  -4.949  -1.202
   73   1HB   PRO  11          2HB       PRO  11 -14.595  -3.242   0.042
   74   2HB   PRO  11          1HB       PRO  11 -14.180  -4.822   0.719
   75   1HG   PRO  11          2HG       PRO  11 -13.083  -2.121   1.402
   76   2HG   PRO  11          1HG       PRO  11 -13.557  -3.442   2.486
   77   1HD   PRO  11          2HD       PRO  11 -10.974  -2.946   1.800
   78   2HD   PRO  11          1HD       PRO  11 -11.576  -4.570   2.179
   79    H    GLY  12           H        GLY  12 -11.429  -1.870  -0.477
   80   1HA   GLY  12          2HA       GLY  12 -10.902  -0.578  -2.561
   81   2HA   GLY  12          1HA       GLY  12 -12.605  -0.763  -2.949
   82    H    ARG  13           H        ARG  13 -11.049   0.045   0.136
   83    HA   ARG  13           HA       ARG  13 -12.904   2.191   0.575
   84   1HB   ARG  13          2HB       ARG  13 -11.980   0.730   2.389
   85   2HB   ARG  13          1HB       ARG  13 -10.422   1.510   2.158
   86   1HG   ARG  13          2HG       ARG  13 -12.045   3.659   2.498
   87   2HG   ARG  13          1HG       ARG  13 -12.823   2.463   3.534
   88   1HD   ARG  13          2HD       ARG  13 -10.344   2.039   4.324
   89   2HD   ARG  13          1HD       ARG  13 -10.114   3.684   3.733
   90    HE   ARG  13           HE       ARG  13 -12.381   3.569   5.409
   91   1HH1  ARG  13          1HH1      ARG  13  -8.897   3.457   5.542
   92   2HH1  ARG  13          2HH1      ARG  13  -8.811   4.096   7.149
   93   1HH2  ARG  13          1HH2      ARG  13 -12.272   4.411   7.523
   94   2HH2  ARG  13          2HH2      ARG  13 -10.728   4.637   8.275
   95    H    ALA  14           H        ALA  14  -9.342   2.083   0.343
   96    HA   ALA  14           HA       ALA  14  -9.364   4.587  -1.133
   97   1HB   ALA  14          1HB       ALA  14  -8.097   5.854   0.356
   98   2HB   ALA  14          2HB       ALA  14  -7.629   4.443   1.306
   99   3HB   ALA  14          3HB       ALA  14  -9.281   5.056   1.393
  100    H    PHE  15           H        PHE  15  -6.738   5.211  -1.165
  101    HA   PHE  15           HA       PHE  15  -5.326   2.750  -1.921
  102   1HB   PHE  15          2HB       PHE  15  -6.404   4.349  -3.817
  103   2HB   PHE  15          1HB       PHE  15  -4.832   5.120  -3.624
  104    HD1  PHE  15           1HD      PHE  15  -2.863   3.231  -3.416
  105    HD2  PHE  15           2HD      PHE  15  -6.532   2.855  -5.537
  106    HE1  PHE  15           1HE      PHE  15  -1.846   1.523  -4.863
  107    HE2  PHE  15           2HE      PHE  15  -5.523   1.145  -6.989
  108    HZ   PHE  15           HZ       PHE  15  -3.176   0.476  -6.654
  109    H    TYR  16           H        TYR  16  -3.970   2.817  -0.164
  110    HA   TYR  16           HA       TYR  16  -2.402   5.247   0.283
  111   1HB   TYR  16          2HB       TYR  16  -2.854   2.754   1.917
  112   2HB   TYR  16          1HB       TYR  16  -1.580   3.910   2.315
  113    HD1  TYR  16           1HD      TYR  16  -5.247   3.528   1.923
  114    HD2  TYR  16           2HD      TYR  16  -2.081   5.915   3.463
  115    HE1  TYR  16           1HE      TYR  16  -6.881   4.884   3.160
  116    HE2  TYR  16           2HE      TYR  16  -3.704   7.278   4.706
  117    HH   TYR  16           HH       TYR  16  -5.987   7.068   5.598
  118    H    THR  17           H        THR  17  -0.556   5.423  -0.786
  119    HA   THR  17           HA       THR  17   1.061   2.999  -1.214
  120    HB   THR  17           HB       THR  17   1.721   3.739  -3.348
  121    HG1  THR  17           1HG      THR  17   1.514   5.794  -4.052
  122   1HG2  THR  17          1HG2      THR  17  -0.937   3.320  -2.905
  123   2HG2  THR  17          2HG2      THR  17  -0.171   3.467  -4.486
  124   3HG2  THR  17          3HG2      THR  17  -0.933   4.871  -3.742
  125    H    THR  18           H        THR  18   2.779   3.065   0.062
  126    HA   THR  18           HA       THR  18   4.282   5.581   0.257
  127    HB   THR  18           HB       THR  18   4.771   5.001   2.656
  128    HG1  THR  18           1HG      THR  18   4.168   3.065   3.183
  129   1HG2  THR  18          1HG2      THR  18   2.233   5.985   1.624
  130   2HG2  THR  18          2HG2      THR  18   3.267   6.618   2.905
  131   3HG2  THR  18          3HG2      THR  18   2.126   5.318   3.252
  132    H    GLY  19           H        GLY  19   6.374   5.354  -0.204
  133   1HA   GLY  19          2HA       GLY  19   7.433   2.790  -0.895
  134   2HA   GLY  19          1HA       GLY  19   8.310   4.312  -0.902
  135    H    GLU  20           H        GLU  20   9.079   1.616   0.056
  136    HA   GLU  20           HA       GLU  20   9.400   2.090   2.928
  137   1HB   GLU  20          2HB       GLU  20   8.741  -0.185   1.628
  138   2HB   GLU  20          1HB       GLU  20  10.494  -0.376   1.704
  139   1HG   GLU  20          2HG       GLU  20   9.278   0.454   4.228
  140   2HG   GLU  20          1HG       GLU  20   8.735  -1.120   3.648
  141    H    ILE  21           H        ILE  21  10.833   3.902   1.629
  142    HA   ILE  21           HA       ILE  21  13.539   2.919   1.202
  143    HB   ILE  21           HB       ILE  21  12.572   5.774   1.078
  144   1HG1  ILE  21          2HG1      ILE  21  11.301   4.324  -0.477
  145   2HG1  ILE  21          1HG1      ILE  21  12.332   5.472  -1.325
  146   1HG2  ILE  21          1HG2      ILE  21  14.605   5.653  -0.646
  147   2HG2  ILE  21          2HG2      ILE  21  15.108   4.381   0.467
  148   3HG2  ILE  21          3HG2      ILE  21  14.824   6.016   1.066
  149   1HD1  ILE  21          1HD1      ILE  21  13.589   2.883  -0.804
  150   2HD1  ILE  21          2HD1      ILE  21  13.546   3.856  -2.275
  151   3HD1  ILE  21          3HD1      ILE  21  12.179   2.820  -1.862
  Start of MODEL   17
    1   1H    THR   3          1H        THR   3  13.225  -4.189  -2.004
    2    HA   THR   3           HA       THR   3  11.154  -2.579  -3.286
    3    HB   THR   3           HB       THR   3  10.926  -4.515  -4.809
    4    HG1  THR   3           1HG      THR   3  13.028  -5.682  -3.312
    5   1HG2  THR   3          1HG2      THR   3  12.764  -4.094  -6.049
    6   2HG2  THR   3          2HG2      THR   3  13.863  -4.253  -4.677
    7   3HG2  THR   3          3HG2      THR   3  12.934  -2.770  -4.895
    8    H    ARG   4           H        ARG   4  10.361  -2.673  -0.901
    9    HA   ARG   4           HA       ARG   4   8.494  -4.927  -0.610
   10   1HB   ARG   4          2HB       ARG   4  10.053  -3.311   1.383
   11   2HB   ARG   4          1HB       ARG   4   8.592  -4.158   1.869
   12   1HG   ARG   4          2HG       ARG   4   9.656  -6.106   1.970
   13   2HG   ARG   4          1HG       ARG   4  10.376  -5.875   0.376
   14   1HD   ARG   4          2HD       ARG   4  12.197  -4.644   1.277
   15   2HD   ARG   4          1HD       ARG   4  11.402  -4.502   2.850
   16    HE   ARG   4           HE       ARG   4  11.826  -7.223   2.153
   17   1HH1  ARG   4          1HH1      ARG   4  13.468  -4.380   3.337
   18   2HH1  ARG   4          2HH1      ARG   4  14.681  -5.281   4.184
   19   1HH2  ARG   4          1HH2      ARG   4  13.421  -8.409   3.269
   20   2HH2  ARG   4          2HH2      ARG   4  14.654  -7.566   4.146
   21    H    LYS   5           H        LYS   5   7.622  -2.936  -2.221
   22    HA   LYS   5           HA       LYS   5   6.481  -0.657  -1.311
   23   1HB   LYS   5          2HB       LYS   5   6.326  -1.448  -3.634
   24   2HB   LYS   5          1HB       LYS   5   5.138  -2.649  -3.145
   25   1HG   LYS   5          2HG       LYS   5   3.496  -1.187  -3.381
   26   2HG   LYS   5          1HG       LYS   5   4.291  -0.060  -2.266
   27   1HD   LYS   5          2HD       LYS   5   5.793   0.429  -4.377
   28   2HD   LYS   5          1HD       LYS   5   4.387  -0.189  -5.245
   29   1HE   LYS   5          2HE       LYS   5   3.086   1.587  -4.681
   30   2HE   LYS   5          1HE       LYS   5   3.876   1.805  -3.120
   31   1HZ   LYS   5          1HZ       LYS   5   5.846   2.629  -4.449
   32   2HZ   LYS   5          2HZ       LYS   5   4.495   3.645  -4.400
   33   3HZ   LYS   5          3HZ       LYS   5   4.803   2.715  -5.778
   34    H    SER   6           H        SER   6   5.392  -0.277   0.501
   35    HA   SER   6           HA       SER   6   3.823  -2.277   1.812
   36   1HB   SER   6          2HB       SER   6   3.625   0.636   2.492
   37   2HB   SER   6          1HB       SER   6   3.616  -0.763   3.566
   38    HG   SER   6           HG       SER   6   5.765  -0.872   3.477
   39    H    ILE   7           H        ILE   7   2.023  -2.922   0.777
   40    HA   ILE   7           HA       ILE   7   0.046  -0.850   0.086
   41    HB   ILE   7           HB       ILE   7   0.401  -3.450  -1.400
   42   1HG1  ILE   7          2HG1      ILE   7   2.329  -2.043  -1.830
   43   2HG1  ILE   7          1HG1      ILE   7   1.281  -2.033  -3.246
   44   1HG2  ILE   7          1HG2      ILE   7  -1.852  -2.700  -1.533
   45   2HG2  ILE   7          2HG2      ILE   7  -1.076  -2.287  -3.064
   46   3HG2  ILE   7          3HG2      ILE   7  -1.348  -1.040  -1.846
   47   1HD1  ILE   7          1HD1      ILE   7   2.163   0.154  -1.587
   48   2HD1  ILE   7          2HD1      ILE   7   0.408   0.118  -1.738
   49   3HD1  ILE   7          3HD1      ILE   7   1.416   0.176  -3.183
   50    H    HIS   8           H        HIS   8  -1.726  -0.998   1.262
   51    HA   HIS   8           HA       HIS   8  -2.859  -3.606   1.882
   52   1HB   HIS   8          2HB       HIS   8  -2.325  -1.598   4.079
   53   2HB   HIS   8          1HB       HIS   8  -3.050  -3.193   4.257
   54    HD1  HIS   8           1HD      HIS   8  -1.301  -5.201   3.375
   55    HD2  HIS   8           2HD      HIS   8   0.304  -1.596   4.677
   56    HE1  HIS   8           1HE      HIS   8   1.101  -5.697   3.933
   57    HE2  HIS   8           2HE      HIS   8   2.025  -3.522   4.809
   58    H    ILE   9           H        ILE   9  -4.862  -3.433   1.130
   59    HA   ILE   9           HA       ILE   9  -6.437  -1.070   1.875
   60    HB   ILE   9           HB       ILE   9  -7.509  -1.042  -0.338
   61   1HG1  ILE   9          2HG1      ILE   9  -6.968  -3.443  -0.875
   62   2HG1  ILE   9          1HG1      ILE   9  -6.675  -2.309  -2.188
   63   1HG2  ILE   9          1HG2      ILE   9  -6.019   0.615  -0.509
   64   2HG2  ILE   9          2HG2      ILE   9  -5.109  -0.492  -1.534
   65   3HG2  ILE   9          3HG2      ILE   9  -4.720  -0.358   0.180
   66   1HD1  ILE   9          1HD1      ILE   9  -4.867  -4.124  -0.916
   67   2HD1  ILE   9          2HD1      ILE   9  -4.267  -2.473  -0.777
   68   3HD1  ILE   9          3HD1      ILE   9  -4.638  -3.146  -2.364
   69    H    GLY  10           H        GLY  10  -8.802  -1.435   1.638
   70   1HA   GLY  10          2HA       GLY  10  -9.497  -4.287   1.960
   71   2HA   GLY  10          1HA       GLY  10 -10.109  -3.063   3.063
   72    HA   PRO  11           HA       PRO  11 -13.339  -3.614  -0.185
   73   1HB   PRO  11          2HB       PRO  11 -15.445  -3.325   1.496
   74   2HB   PRO  11          1HB       PRO  11 -14.616  -4.868   1.258
   75   1HG   PRO  11          2HG       PRO  11 -14.306  -2.871   3.467
   76   2HG   PRO  11          1HG       PRO  11 -14.397  -4.638   3.562
   77   1HD   PRO  11          2HD       PRO  11 -12.051  -3.289   3.693
   78   2HD   PRO  11          1HD       PRO  11 -12.184  -4.912   2.986
   79    H    GLY  12           H        GLY  12 -12.788  -1.185   2.262
   80   1HA   GLY  12          2HA       GLY  12 -14.656   0.727   1.261
   81   2HA   GLY  12          1HA       GLY  12 -13.335   1.051   2.372
   82    H    ARG  13           H        ARG  13 -12.303   2.760   1.541
   83    HA   ARG  13           HA       ARG  13 -11.056   2.452  -1.070
   84   1HB   ARG  13          2HB       ARG  13 -12.980   4.655  -0.367
   85   2HB   ARG  13          1HB       ARG  13 -11.730   4.889  -1.581
   86   1HG   ARG  13          2HG       ARG  13 -12.638   3.191  -2.967
   87   2HG   ARG  13          1HG       ARG  13 -13.741   2.657  -1.696
   88   1HD   ARG  13          2HD       ARG  13 -13.802   5.354  -3.049
   89   2HD   ARG  13          1HD       ARG  13 -14.872   4.004  -3.421
   90    HE   ARG  13           HE       ARG  13 -14.962   4.688  -0.658
   91   1HH1  ARG  13          1HH1      ARG  13 -16.125   5.646  -3.807
   92   2HH1  ARG  13          2HH1      ARG  13 -17.548   6.413  -3.186
   93   1HH2  ARG  13          1HH2      ARG  13 -16.833   5.699   0.160
   94   2HH2  ARG  13          2HH2      ARG  13 -17.950   6.444  -0.935
   95    H    ALA  14           H        ALA  14  -9.313   2.166   0.566
   96    HA   ALA  14           HA       ALA  14  -8.106   4.774   1.170
   97   1HB   ALA  14          1HB       ALA  14  -7.742   4.344   3.368
   98   2HB   ALA  14          2HB       ALA  14  -7.620   2.600   3.121
   99   3HB   ALA  14          3HB       ALA  14  -9.202   3.378   3.160
  100    H    PHE  15           H        PHE  15  -6.583   4.688  -0.419
  101    HA   PHE  15           HA       PHE  15  -4.962   2.293  -0.749
  102   1HB   PHE  15          2HB       PHE  15  -5.557   4.684  -2.344
  103   2HB   PHE  15          1HB       PHE  15  -3.872   4.183  -2.419
  104    HD1  PHE  15           1HD      PHE  15  -4.007   1.299  -2.325
  105    HD2  PHE  15           2HD      PHE  15  -6.552   4.063  -4.322
  106    HE1  PHE  15           1HE      PHE  15  -4.596  -0.437  -3.967
  107    HE2  PHE  15           2HE      PHE  15  -7.147   2.332  -5.968
  108    HZ   PHE  15           HZ       PHE  15  -6.167   0.079  -5.791
  109    H    TYR  16           H        TYR  16  -3.509   2.064   0.853
  110    HA   TYR  16           HA       TYR  16  -1.921   4.399   1.654
  111   1HB   TYR  16          2HB       TYR  16  -2.332   1.712   2.979
  112   2HB   TYR  16          1HB       TYR  16  -1.215   2.947   3.575
  113    HD1  TYR  16           1HD      TYR  16  -2.702   5.415   3.303
  114    HD2  TYR  16           2HD      TYR  16  -4.078   1.570   4.491
  115    HE1  TYR  16           1HE      TYR  16  -4.531   6.466   4.566
  116    HE2  TYR  16           2HE      TYR  16  -5.912   2.610   5.758
  117    HH   TYR  16           HH       TYR  16  -6.138   5.197   6.880
  118    H    THR  17           H        THR  17  -0.081   4.640   0.587
  119    HA   THR  17           HA       THR  17   1.631   2.301   0.177
  120    HB   THR  17           HB       THR  17   2.096   2.807  -2.085
  121    HG1  THR  17           1HG      THR  17   0.605   5.195  -1.752
  122   1HG2  THR  17          1HG2      THR  17   0.185   2.198  -3.063
  123   2HG2  THR  17          2HG2      THR  17  -0.720   3.543  -2.373
  124   3HG2  THR  17          3HG2      THR  17  -0.424   2.094  -1.413
  125    H    THR  18           H        THR  18   3.494   2.665   1.152
  126    HA   THR  18           HA       THR  18   4.826   5.228   0.817
  127    HB   THR  18           HB       THR  18   5.240   5.476   3.245
  128    HG1  THR  18           1HG      THR  18   4.394   4.128   4.667
  129   1HG2  THR  18          1HG2      THR  18   2.291   5.365   2.679
  130   2HG2  THR  18          2HG2      THR  18   3.352   6.687   2.194
  131   3HG2  THR  18          3HG2      THR  18   3.111   6.331   3.906
  132    H    GLY  19           H        GLY  19   7.067   5.185   1.315
  133   1HA   GLY  19          2HA       GLY  19   9.150   4.234   1.297
  134   2HA   GLY  19          1HA       GLY  19   8.477   3.046   2.399
  135    H    GLU  20           H        GLU  20  10.466   2.501   0.464
  136    HA   GLU  20           HA       GLU  20  11.004   0.914  -1.075
  137   1HB   GLU  20          2HB       GLU  20   8.206  -0.071  -0.454
  138   2HB   GLU  20          1HB       GLU  20   9.397  -0.970  -1.396
  139   1HG   GLU  20          2HG       GLU  20   9.201  -1.676   0.981
  140   2HG   GLU  20          1HG       GLU  20  10.825  -1.214   0.488
  141    H    ILE  21           H        ILE  21  11.064   0.892  -3.294
  142    HA   ILE  21           HA       ILE  21   8.847   2.277  -4.660
  143    HB   ILE  21           HB       ILE  21  11.714   2.342  -5.572
  144   1HG1  ILE  21          2HG1      ILE  21  10.716   4.843  -4.484
  145   2HG1  ILE  21          1HG1      ILE  21  10.711   3.573  -3.263
  146   1HG2  ILE  21          1HG2      ILE  21  10.204   2.829  -7.335
  147   2HG2  ILE  21          2HG2      ILE  21  10.867   4.370  -6.791
  148   3HG2  ILE  21          3HG2      ILE  21   9.240   3.890  -6.308
  149   1HD1  ILE  21          1HD1      ILE  21  13.057   4.517  -4.887
  150   2HD1  ILE  21          2HD1      ILE  21  13.088   3.128  -3.800
  151   3HD1  ILE  21          3HD1      ILE  21  12.790   4.745  -3.159
  Start of MODEL   18
    1   1H    THR   3          1H        THR   3   9.951  -6.009   3.573
    2    HA   THR   3           HA       THR   3  10.112  -3.333   4.757
    3    HB   THR   3           HB       THR   3  12.478  -3.782   5.064
    4    HG1  THR   3           1HG      THR   3  13.397  -5.685   4.328
    5   1HG2  THR   3          1HG2      THR   3  12.366  -5.298   6.749
    6   2HG2  THR   3          2HG2      THR   3  11.353  -6.414   5.833
    7   3HG2  THR   3          3HG2      THR   3  10.648  -4.961   6.541
    8    H    ARG   4           H        ARG   4   9.122  -3.655   2.090
    9    HA   ARG   4           HA       ARG   4  11.136  -2.068   0.676
   10   1HB   ARG   4          2HB       ARG   4  11.530  -3.731  -0.761
   11   2HB   ARG   4          1HB       ARG   4  10.278  -4.725  -0.023
   12   1HG   ARG   4          2HG       ARG   4   9.398  -2.606  -1.911
   13   2HG   ARG   4          1HG       ARG   4  10.229  -4.013  -2.575
   14   1HD   ARG   4          2HD       ARG   4   8.618  -5.471  -1.381
   15   2HD   ARG   4          1HD       ARG   4   7.744  -4.023  -0.867
   16    HE   ARG   4           HE       ARG   4   6.852  -3.854  -2.973
   17   1HH1  ARG   4          1HH1      ARG   4   9.514  -6.110  -3.046
   18   2HH1  ARG   4          2HH1      ARG   4   9.181  -6.643  -4.659
   19   1HH2  ARG   4          1HH2      ARG   4   6.412  -4.554  -5.093
   20   2HH2  ARG   4          2HH2      ARG   4   7.419  -5.760  -5.822
   21    H    LYS   5           H        LYS   5   7.756  -3.072   0.929
   22    HA   LYS   5           HA       LYS   5   6.850  -0.401   0.478
   23   1HB   LYS   5          2HB       LYS   5   7.342  -1.349  -1.853
   24   2HB   LYS   5          1HB       LYS   5   5.965  -2.410  -1.586
   25   1HG   LYS   5          2HG       LYS   5   4.531  -0.433  -1.264
   26   2HG   LYS   5          1HG       LYS   5   5.926   0.605  -1.619
   27   1HD   LYS   5          2HD       LYS   5   4.897   0.485  -3.682
   28   2HD   LYS   5          1HD       LYS   5   6.070  -0.828  -3.799
   29   1HE   LYS   5          2HE       LYS   5   4.456  -2.338  -4.057
   30   2HE   LYS   5          1HE       LYS   5   3.606  -1.757  -2.625
   31   1HZ   LYS   5          1HZ       LYS   5   2.172  -1.512  -4.488
   32   2HZ   LYS   5          2HZ       LYS   5   3.362  -0.722  -5.394
   33   3HZ   LYS   5          3HZ       LYS   5   2.682   0.041  -4.047
   34    H    SER   6           H        SER   6   5.308  -0.239   1.954
   35    HA   SER   6           HA       SER   6   3.808  -2.573   2.796
   36   1HB   SER   6          2HB       SER   6   4.686  -0.942   4.455
   37   2HB   SER   6          1HB       SER   6   3.618   0.286   3.776
   38    HG   SER   6           HG       SER   6   2.659  -0.690   5.578
   39    H    ILE   7           H        ILE   7   1.833  -3.095   2.123
   40    HA   ILE   7           HA       ILE   7   0.162  -1.025   0.871
   41    HB   ILE   7           HB       ILE   7   0.420  -3.838  -0.188
   42   1HG1  ILE   7          2HG1      ILE   7   2.491  -2.662  -0.625
   43   2HG1  ILE   7          1HG1      ILE   7   1.568  -2.769  -2.123
   44   1HG2  ILE   7          1HG2      ILE   7  -1.754  -2.532  -0.464
   45   2HG2  ILE   7          2HG2      ILE   7  -1.015  -3.190  -1.924
   46   3HG2  ILE   7          3HG2      ILE   7  -0.843  -1.477  -1.544
   47   1HD1  ILE   7          1HD1      ILE   7   0.829  -0.354  -0.880
   48   2HD1  ILE   7          2HD1      ILE   7   1.766  -0.583  -2.357
   49   3HD1  ILE   7          3HD1      ILE   7   2.589  -0.466  -0.802
   50    H    HIS   8           H        HIS   8  -1.618  -0.824   2.035
   51    HA   HIS   8           HA       HIS   8  -2.991  -3.252   2.945
   52   1HB   HIS   8          2HB       HIS   8  -1.768  -2.358   4.876
   53   2HB   HIS   8          1HB       HIS   8  -2.527  -0.787   4.641
   54    HD1  HIS   8           1HD      HIS   8  -3.298  -4.289   5.778
   55    HD2  HIS   8           2HD      HIS   8  -5.087  -0.539   5.672
   56    HE1  HIS   8           1HE      HIS   8  -5.362  -4.490   7.198
   57    HE2  HIS   8           2HE      HIS   8  -6.393  -2.190   7.175
   58    H    ILE   9           H        ILE   9  -4.588  -3.085   1.414
   59    HA   ILE   9           HA       ILE   9  -6.354  -0.741   1.661
   60    HB   ILE   9           HB       ILE   9  -5.878  -2.253  -0.908
   61   1HG1  ILE   9          2HG1      ILE   9  -5.003   0.499  -0.950
   62   2HG1  ILE   9          1HG1      ILE   9  -4.170  -0.385   0.328
   63   1HG2  ILE   9          1HG2      ILE   9  -7.674  -0.066  -0.059
   64   2HG2  ILE   9          2HG2      ILE   9  -7.903  -1.316  -1.281
   65   3HG2  ILE   9          3HG2      ILE   9  -6.921   0.102  -1.645
   66   1HD1  ILE   9          1HD1      ILE   9  -3.713  -2.145  -1.485
   67   2HD1  ILE   9          2HD1      ILE   9  -2.791  -0.641  -1.513
   68   3HD1  ILE   9          3HD1      ILE   9  -4.146  -0.866  -2.620
   69    H    GLY  10           H        GLY  10  -8.569  -1.122   1.515
   70   1HA   GLY  10          2HA       GLY  10  -9.332  -3.895   2.067
   71   2HA   GLY  10          1HA       GLY  10 -10.307  -2.468   2.389
   72    HA   PRO  11           HA       PRO  11 -12.175  -4.352  -1.351
   73   1HB   PRO  11          2HB       PRO  11 -14.709  -3.580  -0.798
   74   2HB   PRO  11          1HB       PRO  11 -13.978  -5.023  -0.086
   75   1HG   PRO  11          2HG       PRO  11 -14.321  -2.292   1.093
   76   2HG   PRO  11          1HG       PRO  11 -14.588  -3.878   1.843
   77   1HD   PRO  11          2HD       PRO  11 -12.339  -2.416   2.259
   78   2HD   PRO  11          1HD       PRO  11 -12.349  -4.191   2.275
   79    H    GLY  12           H        GLY  12 -10.720  -2.248  -1.910
   80   1HA   GLY  12          2HA       GLY  12 -10.569  -0.362  -3.208
   81   2HA   GLY  12          1HA       GLY  12 -12.154  -0.806  -3.824
   82    H    ARG  13           H        ARG  13 -10.385   1.393  -1.940
   83    HA   ARG  13           HA       ARG  13 -12.536   3.198  -1.718
   84   1HB   ARG  13          2HB       ARG  13 -13.033   1.419   0.095
   85   2HB   ARG  13          1HB       ARG  13 -11.699   2.154   0.974
   86   1HG   ARG  13          2HG       ARG  13 -13.689   3.138   1.786
   87   2HG   ARG  13          1HG       ARG  13 -12.901   4.345   0.768
   88   1HD   ARG  13          2HD       ARG  13 -14.467   4.143  -0.915
   89   2HD   ARG  13          1HD       ARG  13 -14.935   2.516  -0.424
   90    HE   ARG  13           HE       ARG  13 -15.716   4.064   1.661
   91   1HH1  ARG  13          1HH1      ARG  13 -16.305   4.175  -1.777
   92   2HH1  ARG  13          2HH1      ARG  13 -17.867   4.902  -1.613
   93   1HH2  ARG  13          1HH2      ARG  13 -17.772   5.020   1.880
   94   2HH2  ARG  13          2HH2      ARG  13 -18.702   5.383   0.462
   95    H    ALA  14           H        ALA  14  -9.588   2.217   0.028
   96    HA   ALA  14           HA       ALA  14  -8.555   4.945  -0.385
   97   1HB   ALA  14          1HB       ALA  14  -8.072   3.240   2.055
   98   2HB   ALA  14          2HB       ALA  14  -9.219   4.576   1.968
   99   3HB   ALA  14          3HB       ALA  14  -7.493   4.882   1.781
  100    H    PHE  15           H        PHE  15  -6.062   4.908   0.131
  101    HA   PHE  15           HA       PHE  15  -4.767   2.465  -0.760
  102   1HB   PHE  15          2HB       PHE  15  -5.442   4.391  -2.646
  103   2HB   PHE  15          1HB       PHE  15  -3.751   4.728  -2.291
  104    HD1  PHE  15           1HD      PHE  15  -2.566   2.151  -1.866
  105    HD2  PHE  15           2HD      PHE  15  -5.564   3.298  -4.659
  106    HE1  PHE  15           1HE      PHE  15  -1.887   0.306  -3.347
  107    HE2  PHE  15           2HE      PHE  15  -4.892   1.454  -6.144
  108    HZ   PHE  15           HZ       PHE  15  -3.052  -0.044  -5.488
  109    H    TYR  16           H        TYR  16  -2.997   2.175   0.415
  110    HA   TYR  16           HA       TYR  16  -1.538   4.539   1.386
  111   1HB   TYR  16          2HB       TYR  16  -2.412   2.110   2.945
  112   2HB   TYR  16          1HB       TYR  16  -1.070   3.125   3.480
  113    HD1  TYR  16           1HD      TYR  16  -4.619   3.484   2.347
  114    HD2  TYR  16           2HD      TYR  16  -1.545   4.824   4.965
  115    HE1  TYR  16           1HE      TYR  16  -6.213   5.010   3.430
  116    HE2  TYR  16           2HE      TYR  16  -3.131   6.353   6.057
  117    HH   TYR  16           HH       TYR  16  -5.266   7.502   5.491
  118    H    THR  17           H        THR  17   0.385   4.512   0.438
  119    HA   THR  17           HA       THR  17   1.920   2.015   0.449
  120    HB   THR  17           HB       THR  17   2.562   2.172  -1.805
  121    HG1  THR  17           1HG      THR  17   2.230   3.993  -3.053
  122   1HG2  THR  17          1HG2      THR  17   0.367   1.323  -1.846
  123   2HG2  THR  17          2HG2      THR  17   0.453   2.526  -3.131
  124   3HG2  THR  17          3HG2      THR  17  -0.337   2.922  -1.605
  125    H    THR  18           H        THR  18   3.667   2.382   1.610
  126    HA   THR  18           HA       THR  18   5.037   4.974   1.307
  127    HB   THR  18           HB       THR  18   5.788   4.628   3.710
  128    HG1  THR  18           1HG      THR  18   3.604   2.827   3.760
  129   1HG2  THR  18          1HG2      THR  18   3.332   5.668   2.743
  130   2HG2  THR  18          2HG2      THR  18   4.258   6.147   4.166
  131   3HG2  THR  18          3HG2      THR  18   3.040   4.876   4.291
  132    H    GLY  19           H        GLY  19   7.378   4.796   2.168
  133   1HA   GLY  19          2HA       GLY  19   8.757   2.951   0.552
  134   2HA   GLY  19          1HA       GLY  19   9.477   3.936   1.816
  135    H    GLU  20           H        GLU  20  10.839   2.316   2.556
  136    HA   GLU  20           HA       GLU  20   9.518  -0.036   3.736
  137   1HB   GLU  20          2HB       GLU  20  11.842  -1.026   3.737
  138   2HB   GLU  20          1HB       GLU  20  11.134  -0.754   2.142
  139   1HG   GLU  20          2HG       GLU  20  12.871   1.350   3.335
  140   2HG   GLU  20          1HG       GLU  20  13.613  -0.095   2.649
  141    H    ILE  21           H        ILE  21  10.988  -0.909   5.647
  142    HA   ILE  21           HA       ILE  21  11.046   1.256   7.592
  143    HB   ILE  21           HB       ILE  21  11.296  -0.520   9.273
  144   1HG1  ILE  21          2HG1      ILE  21  10.683  -2.730   7.468
  145   2HG1  ILE  21          1HG1      ILE  21  12.269  -2.032   7.160
  146   1HG2  ILE  21          1HG2      ILE  21   9.075  -1.625   8.848
  147   2HG2  ILE  21          2HG2      ILE  21   9.059  -0.807   7.286
  148   3HG2  ILE  21          3HG2      ILE  21   9.075   0.137   8.774
  149   1HD1  ILE  21          1HD1      ILE  21  12.420  -2.229   9.805
  150   2HD1  ILE  21          2HD1      ILE  21  12.860  -3.548   8.721
  151   3HD1  ILE  21          3HD1      ILE  21  11.275  -3.534   9.497
  Start of MODEL   19
    1   1H    THR   3          1H        THR   3  13.133   0.242  -2.037
    2    HA   THR   3           HA       THR   3  12.400  -1.360  -4.351
    3    HB   THR   3           HB       THR   3  14.735  -1.265  -4.064
    4    HG1  THR   3           1HG      THR   3  15.184  -3.354  -3.979
    5   1HG2  THR   3          1HG2      THR   3  15.330  -2.414  -1.589
    6   2HG2  THR   3          2HG2      THR   3  14.153  -1.141  -1.270
    7   3HG2  THR   3          3HG2      THR   3  15.649  -0.764  -2.122
    8    H    ARG   4           H        ARG   4  10.284  -1.200  -2.780
    9    HA   ARG   4           HA       ARG   4   9.928  -3.933  -1.873
   10   1HB   ARG   4          2HB       ARG   4   8.916  -3.199   0.277
   11   2HB   ARG   4          1HB       ARG   4  10.640  -2.838   0.170
   12   1HG   ARG   4          2HG       ARG   4   9.976  -0.838   0.930
   13   2HG   ARG   4          1HG       ARG   4   9.639  -0.537  -0.770
   14   1HD   ARG   4          2HD       ARG   4   7.553  -0.063  -0.158
   15   2HD   ARG   4          1HD       ARG   4   7.350  -1.787   0.152
   16    HE   ARG   4           HE       ARG   4   7.779   0.311   2.129
   17   1HH1  ARG   4          1HH1      ARG   4   7.405  -3.099   1.459
   18   2HH1  ARG   4          2HH1      ARG   4   7.070  -3.508   3.107
   19   1HH2  ARG   4          1HH2      ARG   4   7.337  -0.231   4.288
   20   2HH2  ARG   4          2HH2      ARG   4   7.030  -1.883   4.710
   21    H    LYS   5           H        LYS   5   7.417  -3.746  -0.793
   22    HA   LYS   5           HA       LYS   5   5.753  -2.115  -2.511
   23   1HB   LYS   5          2HB       LYS   5   6.135  -5.025  -2.925
   24   2HB   LYS   5          1HB       LYS   5   4.481  -4.435  -3.002
   25   1HG   LYS   5          2HG       LYS   5   6.754  -3.302  -4.620
   26   2HG   LYS   5          1HG       LYS   5   5.634  -4.548  -5.199
   27   1HD   LYS   5          2HD       LYS   5   4.334  -2.875  -5.902
   28   2HD   LYS   5          1HD       LYS   5   3.975  -2.564  -4.203
   29   1HE   LYS   5          2HE       LYS   5   6.241  -1.213  -4.342
   30   2HE   LYS   5          1HE       LYS   5   5.819  -1.145  -6.054
   31   1HZ   LYS   5          1HZ       LYS   5   4.518   0.115  -3.770
   32   2HZ   LYS   5          2HZ       LYS   5   3.508  -0.438  -5.009
   33   3HZ   LYS   5          3HZ       LYS   5   4.725   0.685  -5.350
   34    H    SER   6           H        SER   6   5.269  -1.300  -0.340
   35    HA   SER   6           HA       SER   6   3.824  -3.075   1.440
   36   1HB   SER   6          2HB       SER   6   5.170  -0.540   1.677
   37   2HB   SER   6          1HB       SER   6   3.533  -0.403   2.315
   38    HG   SER   6           HG       SER   6   4.221  -1.440   3.991
   39    H    ILE   7           H        ILE   7   2.359  -3.357  -0.601
   40    HA   ILE   7           HA       ILE   7   0.326  -1.289  -0.833
   41    HB   ILE   7           HB       ILE   7   0.444  -3.961  -2.228
   42   1HG1  ILE   7          2HG1      ILE   7   2.439  -2.670  -2.762
   43   2HG1  ILE   7          1HG1      ILE   7   1.355  -2.687  -4.148
   44   1HG2  ILE   7          1HG2      ILE   7  -0.931  -2.479  -3.906
   45   2HG2  ILE   7          2HG2      ILE   7  -1.300  -1.558  -2.447
   46   3HG2  ILE   7          3HG2      ILE   7  -1.717  -3.268  -2.539
   47   1HD1  ILE   7          1HD1      ILE   7   1.455  -0.484  -4.209
   48   2HD1  ILE   7          2HD1      ILE   7   2.453  -0.464  -2.755
   49   3HD1  ILE   7          3HD1      ILE   7   0.695  -0.418  -2.621
   50    H    HIS   8           H        HIS   8  -1.334  -1.239   0.513
   51    HA   HIS   8           HA       HIS   8  -2.575  -3.768   1.335
   52   1HB   HIS   8          2HB       HIS   8  -1.083  -2.935   3.163
   53   2HB   HIS   8          1HB       HIS   8  -2.059  -1.471   3.235
   54    HD1  HIS   8           1HD      HIS   8  -1.644  -3.986   5.363
   55    HD2  HIS   8           2HD      HIS   8  -5.030  -2.876   3.225
   56    HE1  HIS   8           1HE      HIS   8  -3.589  -4.931   6.647
   57    HE2  HIS   8           2HE      HIS   8  -5.631  -4.187   5.372
   58    H    ILE   9           H        ILE   9  -4.490  -3.638   0.337
   59    HA   ILE   9           HA       ILE   9  -5.997  -1.114   0.537
   60    HB   ILE   9           HB       ILE   9  -6.453  -3.308  -1.480
   61   1HG1  ILE   9          2HG1      ILE   9  -5.094  -0.672  -2.020
   62   2HG1  ILE   9          1HG1      ILE   9  -4.185  -2.121  -1.607
   63   1HG2  ILE   9          1HG2      ILE   9  -7.657  -1.455  -2.672
   64   2HG2  ILE   9          2HG2      ILE   9  -7.487  -0.496  -1.201
   65   3HG2  ILE   9          3HG2      ILE   9  -8.410  -1.998  -1.174
   66   1HD1  ILE   9          1HD1      ILE   9  -6.143  -2.266  -3.835
   67   2HD1  ILE   9          2HD1      ILE   9  -4.624  -3.132  -3.603
   68   3HD1  ILE   9          3HD1      ILE   9  -4.608  -1.439  -4.099
   69    H    GLY  10           H        GLY  10  -8.329  -1.293   0.771
   70   1HA   GLY  10          2HA       GLY  10  -9.071  -3.687   2.337
   71   2HA   GLY  10          1HA       GLY  10  -9.689  -2.072   2.651
   72    HA   PRO  11           HA       PRO  11 -13.134  -3.834   0.313
   73   1HB   PRO  11          2HB       PRO  11 -14.856  -1.780   0.778
   74   2HB   PRO  11          1HB       PRO  11 -14.551  -3.070   1.948
   75   1HG   PRO  11          2HG       PRO  11 -13.405  -0.307   1.831
   76   2HG   PRO  11          1HG       PRO  11 -13.998  -1.213   3.234
   77   1HD   PRO  11          2HD       PRO  11 -11.368  -0.989   2.673
   78   2HD   PRO  11          1HD       PRO  11 -12.056  -2.445   3.420
   79    H    GLY  12           H        GLY  12 -11.632  -0.707  -0.033
   80   1HA   GLY  12          2HA       GLY  12 -11.030  -0.313  -2.466
   81   2HA   GLY  12          1HA       GLY  12 -12.756  -0.480  -2.754
   82    H    ARG  13           H        ARG  13 -10.366   1.453  -0.991
   83    HA   ARG  13           HA       ARG  13 -11.376   3.916  -1.830
   84   1HB   ARG  13          2HB       ARG  13 -12.375   4.720   0.316
   85   2HB   ARG  13          1HB       ARG  13 -13.333   3.499  -0.509
   86   1HG   ARG  13          2HG       ARG  13 -13.415   2.435   1.438
   87   2HG   ARG  13          1HG       ARG  13 -11.721   2.019   1.170
   88   1HD   ARG  13          2HD       ARG  13 -12.206   3.052   3.397
   89   2HD   ARG  13          1HD       ARG  13 -10.978   3.888   2.447
   90    HE   ARG  13           HE       ARG  13 -12.326   5.726   2.430
   91   1HH1  ARG  13          1HH1      ARG  13 -14.293   2.936   3.152
   92   2HH1  ARG  13          2HH1      ARG  13 -15.725   3.865   3.445
   93   1HH2  ARG  13          1HH2      ARG  13 -14.207   6.951   2.816
   94   2HH2  ARG  13          2HH2      ARG  13 -15.677   6.145   3.256
   95    H    ALA  14           H        ALA  14  -9.775   2.138   0.754
   96    HA   ALA  14           HA       ALA  14  -8.078   4.413   1.397
   97   1HB   ALA  14          1HB       ALA  14  -7.058   2.449   2.904
   98   2HB   ALA  14          2HB       ALA  14  -8.675   1.800   2.640
   99   3HB   ALA  14          3HB       ALA  14  -8.472   3.390   3.376
  100    H    PHE  15           H        PHE  15  -6.538   4.801  -0.070
  101    HA   PHE  15           HA       PHE  15  -4.960   2.525  -1.073
  102   1HB   PHE  15          2HB       PHE  15  -6.097   4.832  -2.385
  103   2HB   PHE  15          1HB       PHE  15  -4.350   4.805  -2.606
  104    HD1  PHE  15           1HD      PHE  15  -3.673   2.040  -2.858
  105    HD2  PHE  15           2HD      PHE  15  -7.108   4.092  -4.305
  106    HE1  PHE  15           1HE      PHE  15  -3.923   0.360  -4.638
  107    HE2  PHE  15           2HE      PHE  15  -7.365   2.415  -6.087
  108    HZ   PHE  15           HZ       PHE  15  -5.770   0.544  -6.255
  109    H    TYR  16           H        TYR  16  -3.556   2.443   0.705
  110    HA   TYR  16           HA       TYR  16  -1.688   4.715   0.882
  111   1HB   TYR  16          2HB       TYR  16  -2.585   2.867   3.104
  112   2HB   TYR  16          1HB       TYR  16  -1.322   4.092   3.257
  113    HD1  TYR  16           1HD      TYR  16  -4.940   3.544   2.806
  114    HD2  TYR  16           2HD      TYR  16  -1.874   6.409   3.508
  115    HE1  TYR  16           1HE      TYR  16  -6.644   5.215   3.400
  116    HE2  TYR  16           2HE      TYR  16  -3.568   8.087   4.104
  117    HH   TYR  16           HH       TYR  16  -6.082   7.910   5.051
  118    H    THR  17           H        THR  17   0.430   4.284   0.667
  119    HA   THR  17           HA       THR  17   1.407   1.560   0.963
  120    HB   THR  17           HB       THR  17   2.274   1.322  -1.211
  121    HG1  THR  17           1HG      THR  17   1.587   4.014  -1.761
  122   1HG2  THR  17          1HG2      THR  17  -0.066   0.921  -1.355
  123   2HG2  THR  17          2HG2      THR  17   0.425   1.814  -2.794
  124   3HG2  THR  17          3HG2      THR  17  -0.409   2.646  -1.482
  125    H    THR  18           H        THR  18   3.448   1.474   1.718
  126    HA   THR  18           HA       THR  18   4.892   4.031   1.928
  127    HB   THR  18           HB       THR  18   5.980   2.984   3.947
  128    HG1  THR  18           1HG      THR  18   3.871   1.108   3.710
  129   1HG2  THR  18          1HG2      THR  18   3.574   4.293   3.796
  130   2HG2  THR  18          2HG2      THR  18   4.478   3.941   5.269
  131   3HG2  THR  18          3HG2      THR  18   3.193   2.853   4.741
  132    H    GLY  19           H        GLY  19   7.256   3.868   2.051
  133   1HA   GLY  19          2HA       GLY  19   8.237   1.779   0.217
  134   2HA   GLY  19          1HA       GLY  19   8.929   3.388   0.368
  135    H    GLU  20           H        GLU  20  10.512   1.138   0.489
  136    HA   GLU  20           HA       GLU  20  11.797   1.508   3.019
  137   1HB   GLU  20          2HB       GLU  20   9.872  -0.586   2.807
  138   2HB   GLU  20          1HB       GLU  20  11.470  -1.329   2.895
  139   1HG   GLU  20          2HG       GLU  20  10.516   0.753   4.840
  140   2HG   GLU  20          1HG       GLU  20  10.269  -0.977   5.073
  141    H    ILE  21           H        ILE  21  13.355  -0.820   3.045
  142    HA   ILE  21           HA       ILE  21  14.713  -0.692   0.437
  143    HB   ILE  21           HB       ILE  21  16.106  -1.029   3.088
  144   1HG1  ILE  21          2HG1      ILE  21  15.063   1.202   2.937
  145   2HG1  ILE  21          1HG1      ILE  21  16.822   1.299   2.874
  146   1HG2  ILE  21          1HG2      ILE  21  17.960  -0.109   1.358
  147   2HG2  ILE  21          2HG2      ILE  21  16.934  -1.037   0.263
  148   3HG2  ILE  21          3HG2      ILE  21  17.663  -1.820   1.666
  149   1HD1  ILE  21          1HD1      ILE  21  16.833   1.882   0.637
  150   2HD1  ILE  21          2HD1      ILE  21  15.421   2.736   1.262
  151   3HD1  ILE  21          3HD1      ILE  21  15.215   1.236   0.355
  Start of MODEL   20
    1   1H    THR   3          1H        THR   3  13.942  -4.023  -2.234
    2    HA   THR   3           HA       THR   3  12.407  -1.562  -2.759
    3    HB   THR   3           HB       THR   3  12.218  -2.361  -5.098
    4    HG1  THR   3           1HG      THR   3  13.344  -4.140  -5.757
    5   1HG2  THR   3          1HG2      THR   3  15.128  -2.500  -4.709
    6   2HG2  THR   3          2HG2      THR   3  14.326  -1.071  -4.060
    7   3HG2  THR   3          3HG2      THR   3  14.164  -1.471  -5.769
    8    H    ARG   4           H        ARG   4  11.083  -2.616  -0.955
    9    HA   ARG   4           HA       ARG   4   9.275  -4.659  -2.032
   10   1HB   ARG   4          2HB       ARG   4   8.821  -5.355   0.134
   11   2HB   ARG   4          1HB       ARG   4  10.524  -4.909   0.220
   12   1HG   ARG   4          2HG       ARG   4   9.094  -2.588   0.864
   13   2HG   ARG   4          1HG       ARG   4   8.295  -3.907   1.719
   14   1HD   ARG   4          2HD       ARG   4  10.752  -4.590   2.329
   15   2HD   ARG   4          1HD       ARG   4  11.091  -2.893   1.966
   16    HE   ARG   4           HE       ARG   4  10.009  -2.295   3.900
   17   1HH1  ARG   4          1HH1      ARG   4   9.277  -5.628   3.169
   18   2HH1  ARG   4          2HH1      ARG   4   8.500  -5.922   4.690
   19   1HH2  ARG   4          1HH2      ARG   4   8.989  -2.679   5.899
   20   2HH2  ARG   4          2HH2      ARG   4   8.336  -4.246   6.238
   21    H    LYS   5           H        LYS   5   6.998  -4.417  -1.815
   22    HA   LYS   5           HA       LYS   5   6.105  -1.639  -1.426
   23   1HB   LYS   5          2HB       LYS   5   5.937  -3.294  -3.795
   24   2HB   LYS   5          1HB       LYS   5   4.333  -2.813  -3.256
   25   1HG   LYS   5          2HG       LYS   5   6.113  -0.562  -3.166
   26   2HG   LYS   5          1HG       LYS   5   6.157  -1.322  -4.767
   27   1HD   LYS   5          2HD       LYS   5   4.345  -0.030  -5.141
   28   2HD   LYS   5          1HD       LYS   5   3.495  -1.319  -4.285
   29   1HE   LYS   5          2HE       LYS   5   3.224  -0.077  -2.394
   30   2HE   LYS   5          1HE       LYS   5   4.707   0.841  -2.656
   31   1HZ   LYS   5          1HZ       LYS   5   2.274   1.840  -3.034
   32   2HZ   LYS   5          2HZ       LYS   5   2.591   1.274  -4.597
   33   3HZ   LYS   5          3HZ       LYS   5   3.639   2.386  -3.872
   34    H    SER   6           H        SER   6   4.543  -1.416   0.031
   35    HA   SER   6           HA       SER   6   2.816  -3.732   0.609
   36   1HB   SER   6          2HB       SER   6   4.328  -3.604   2.457
   37   2HB   SER   6          1HB       SER   6   4.149  -1.853   2.566
   38    HG   SER   6           HG       SER   6   2.044  -2.145   3.280
   39    H    ILE   7           H        ILE   7   0.867  -3.193  -0.142
   40    HA   ILE   7           HA       ILE   7  -0.122  -0.468   0.392
   41    HB   ILE   7           HB       ILE   7  -1.077  -2.305  -1.802
   42   1HG1  ILE   7          2HG1      ILE   7   0.385   0.128  -2.557
   43   2HG1  ILE   7          1HG1      ILE   7   1.379  -1.073  -1.738
   44   1HG2  ILE   7          1HG2      ILE   7  -1.508   0.654  -1.448
   45   2HG2  ILE   7          2HG2      ILE   7  -2.658  -0.578  -0.927
   46   3HG2  ILE   7          3HG2      ILE   7  -2.260  -0.409  -2.638
   47   1HD1  ILE   7          1HD1      ILE   7   0.730  -2.741  -3.386
   48   2HD1  ILE   7          2HD1      ILE   7   1.462  -1.332  -4.152
   49   3HD1  ILE   7          3HD1      ILE   7  -0.287  -1.551  -4.197
   50    H    HIS   8           H        HIS   8  -2.052  -0.190   1.374
   51    HA   HIS   8           HA       HIS   8  -3.460  -2.635   2.232
   52   1HB   HIS   8          2HB       HIS   8  -3.439   0.031   3.658
   53   2HB   HIS   8          1HB       HIS   8  -4.094  -1.492   4.256
   54    HD1  HIS   8           1HD      HIS   8  -2.405  -3.244   5.139
   55    HD2  HIS   8           2HD      HIS   8  -0.670   0.322   3.894
   56    HE1  HIS   8           1HE      HIS   8  -0.048  -3.299   6.020
   57    HE2  HIS   8           2HE      HIS   8   0.957  -1.097   5.320
   58    H    ILE   9           H        ILE   9  -5.051  -2.819   0.735
   59    HA   ILE   9           HA       ILE   9  -6.864  -0.515   0.431
   60    HB   ILE   9           HB       ILE   9  -6.535  -2.697  -1.619
   61   1HG1  ILE   9          2HG1      ILE   9  -5.418  -0.234  -2.527
   62   2HG1  ILE   9          1HG1      ILE   9  -4.673  -0.626  -0.981
   63   1HG2  ILE   9          1HG2      ILE   9  -8.563  -1.015  -1.373
   64   2HG2  ILE   9          2HG2      ILE   9  -7.935  -1.493  -2.949
   65   3HG2  ILE   9          3HG2      ILE   9  -7.462   0.052  -2.243
   66   1HD1  ILE   9          1HD1      ILE   9  -4.857  -2.892  -2.811
   67   2HD1  ILE   9          2HD1      ILE   9  -3.496  -2.309  -1.850
   68   3HD1  ILE   9          3HD1      ILE   9  -3.866  -1.560  -3.404
   69    H    GLY  10           H        GLY  10  -8.974  -0.817   0.866
   70   1HA   GLY  10          2HA       GLY  10  -9.774  -3.505   1.749
   71   2HA   GLY  10          1HA       GLY  10 -10.546  -2.000   2.225
   72    HA   PRO  11           HA       PRO  11 -13.595  -3.804  -0.672
   73   1HB   PRO  11          2HB       PRO  11 -14.954  -1.312   0.240
   74   2HB   PRO  11          1HB       PRO  11 -15.594  -2.953   0.092
   75   1HG   PRO  11          2HG       PRO  11 -14.987  -1.949   2.479
   76   2HG   PRO  11          1HG       PRO  11 -14.645  -3.645   2.093
   77   1HD   PRO  11          2HD       PRO  11 -12.777  -1.323   2.269
   78   2HD   PRO  11          1HD       PRO  11 -12.513  -3.022   2.709
   79    H    GLY  12           H        GLY  12 -12.190  -0.613  -0.503
   80   1HA   GLY  12          2HA       GLY  12 -11.281   0.013  -2.800
   81   2HA   GLY  12          1HA       GLY  12 -12.959  -0.125  -3.307
   82    H    ARG  13           H        ARG  13 -10.702   1.705  -1.333
   83    HA   ARG  13           HA       ARG  13 -11.964   4.165  -1.914
   84   1HB   ARG  13          2HB       ARG  13 -12.534   4.662   0.554
   85   2HB   ARG  13          1HB       ARG  13 -13.671   3.709  -0.392
   86   1HG   ARG  13          2HG       ARG  13 -13.549   2.063   1.080
   87   2HG   ARG  13          1HG       ARG  13 -11.807   1.939   0.832
   88   1HD   ARG  13          2HD       ARG  13 -11.386   3.580   2.528
   89   2HD   ARG  13          1HD       ARG  13 -13.108   3.929   2.682
   90    HE   ARG  13           HE       ARG  13 -13.335   2.082   4.018
   91   1HH1  ARG  13          1HH1      ARG  13 -10.246   1.943   2.399
   92   2HH1  ARG  13          2HH1      ARG  13  -9.680   0.594   3.324
   93   1HH2  ARG  13          1HH2      ARG  13 -12.591   0.307   5.238
   94   2HH2  ARG  13          2HH2      ARG  13 -11.011  -0.335   4.936
   95    H    ALA  14           H        ALA  14  -9.920   2.391   0.363
   96    HA   ALA  14           HA       ALA  14  -8.205   4.749   0.659
   97   1HB   ALA  14          1HB       ALA  14  -7.236   3.669   2.556
   98   2HB   ALA  14          2HB       ALA  14  -8.025   2.144   2.158
   99   3HB   ALA  14          3HB       ALA  14  -8.988   3.522   2.689
  100    H    PHE  15           H        PHE  15  -6.128   4.816  -0.047
  101    HA   PHE  15           HA       PHE  15  -4.903   2.405  -1.143
  102   1HB   PHE  15          2HB       PHE  15  -6.197   4.216  -2.816
  103   2HB   PHE  15          1HB       PHE  15  -4.497   4.655  -2.948
  104    HD1  PHE  15           1HD      PHE  15  -3.037   2.232  -2.874
  105    HD2  PHE  15           2HD      PHE  15  -6.849   2.965  -4.616
  106    HE1  PHE  15           1HE      PHE  15  -2.677   0.367  -4.437
  107    HE2  PHE  15           2HE      PHE  15  -6.498   1.101  -6.181
  108    HZ   PHE  15           HZ       PHE  15  -4.409  -0.201  -6.093
  109    H    TYR  16           H        TYR  16  -3.601   2.741   0.775
  110    HA   TYR  16           HA       TYR  16  -1.854   5.067   0.791
  111   1HB   TYR  16          2HB       TYR  16  -2.254   2.762   2.696
  112   2HB   TYR  16          1HB       TYR  16  -0.944   3.932   2.891
  113    HD1  TYR  16           1HD      TYR  16  -4.649   3.673   2.629
  114    HD2  TYR  16           2HD      TYR  16  -1.330   5.951   4.005
  115    HE1  TYR  16           1HE      TYR  16  -6.185   5.178   3.824
  116    HE2  TYR  16           2HE      TYR  16  -2.857   7.462   5.204
  117    HH   TYR  16           HH       TYR  16  -5.311   8.159   4.977
  118    H    THR  17           H        THR  17   0.114   5.098  -0.058
  119    HA   THR  17           HA       THR  17   1.366   2.533  -0.787
  120    HB   THR  17           HB       THR  17   2.528   3.766  -2.571
  121    HG1  THR  17           1HG      THR  17   2.662   5.830  -2.203
  122   1HG2  THR  17          1HG2      THR  17  -0.330   4.528  -2.909
  123   2HG2  THR  17          2HG2      THR  17   0.127   2.826  -2.843
  124   3HG2  THR  17          3HG2      THR  17   0.808   3.875  -4.086
  125    H    THR  18           H        THR  18   2.687   2.109   0.904
  126    HA   THR  18           HA       THR  18   4.964   3.870   1.266
  127    HB   THR  18           HB       THR  18   4.771   3.955   3.690
  128    HG1  THR  18           1HG      THR  18   3.666   2.126   4.197
  129   1HG2  THR  18          1HG2      THR  18   2.196   4.838   2.406
  130   2HG2  THR  18          2HG2      THR  18   3.687   5.779   2.512
  131   3HG2  THR  18          3HG2      THR  18   2.802   5.360   3.979
  132    H    GLY  19           H        GLY  19   6.770   2.830   2.262
  133   1HA   GLY  19          2HA       GLY  19   7.034   0.430   3.440
  134   2HA   GLY  19          1HA       GLY  19   6.810  -0.002   1.754
  135    H    GLU  20           H        GLU  20   8.449   0.309   0.297
  136    HA   GLU  20           HA       GLU  20  10.975   1.363   1.385
  137   1HB   GLU  20          2HB       GLU  20  10.382  -1.263   0.409
  138   2HB   GLU  20          1HB       GLU  20  11.542  -0.507  -0.680
  139   1HG   GLU  20          2HG       GLU  20  11.827  -0.961   2.279
  140   2HG   GLU  20          1HG       GLU  20  12.741  -1.718   0.975
  141    H    ILE  21           H        ILE  21  12.521   2.070  -0.330
  142    HA   ILE  21           HA       ILE  21  11.084   3.619  -2.314
  143    HB   ILE  21           HB       ILE  21  12.786   4.675  -0.876
  144   1HG1  ILE  21          2HG1      ILE  21  12.189   5.344  -3.327
  145   2HG1  ILE  21          1HG1      ILE  21  13.521   6.124  -2.495
  146   1HG2  ILE  21          1HG2      ILE  21  14.295   2.629  -0.903
  147   2HG2  ILE  21          2HG2      ILE  21  15.070   4.209  -0.973
  148   3HG2  ILE  21          3HG2      ILE  21  14.909   3.241  -2.437
  149   1HD1  ILE  21          1HD1      ILE  21  15.096   4.651  -3.663
  150   2HD1  ILE  21          2HD1      ILE  21  14.123   5.614  -4.776
  151   3HD1  ILE  21          3HD1      ILE  21  13.745   3.913  -4.523
  Start of MODEL   21
    1   1H    THR   3          1H        THR   3  11.134  -6.460   2.952
    2    HA   THR   3           HA       THR   3  10.653  -4.135   4.666
    3    HB   THR   3           HB       THR   3  13.401  -5.177   3.947
    4    HG1  THR   3           1HG      THR   3  12.391  -6.274   5.688
    5   1HG2  THR   3          1HG2      THR   3  14.011  -3.039   4.128
    6   2HG2  THR   3          2HG2      THR   3  13.795  -3.299   5.860
    7   3HG2  THR   3          3HG2      THR   3  12.502  -2.565   4.908
    8    H    ARG   4           H        ARG   4   9.387  -3.947   2.517
    9    HA   ARG   4           HA       ARG   4  10.912  -2.159   0.811
   10   1HB   ARG   4          2HB       ARG   4  10.438  -3.254  -1.238
   11   2HB   ARG   4          1HB       ARG   4  11.102  -4.481  -0.158
   12   1HG   ARG   4          2HG       ARG   4   8.354  -4.587   0.253
   13   2HG   ARG   4          1HG       ARG   4   8.546  -4.376  -1.486
   14   1HD   ARG   4          2HD       ARG   4  10.236  -6.257  -1.398
   15   2HD   ARG   4          1HD       ARG   4   9.686  -6.547   0.259
   16    HE   ARG   4           HE       ARG   4   8.357  -7.309  -2.140
   17   1HH1  ARG   4          1HH1      ARG   4   7.794  -6.264   1.141
   18   2HH1  ARG   4          2HH1      ARG   4   6.250  -7.037   1.256
   19   1HH2  ARG   4          1HH2      ARG   4   6.325  -8.328  -1.992
   20   2HH2  ARG   4          2HH2      ARG   4   5.415  -8.208  -0.523
   21    H    LYS   5           H        LYS   5   9.050  -1.818  -1.210
   22    HA   LYS   5           HA       LYS   5   7.229  -0.043  -0.058
   23   1HB   LYS   5          2HB       LYS   5   8.083  -0.391  -2.550
   24   2HB   LYS   5          1HB       LYS   5   6.577  -1.290  -2.686
   25   1HG   LYS   5          2HG       LYS   5   6.408   1.386  -1.445
   26   2HG   LYS   5          1HG       LYS   5   6.772   1.325  -3.180
   27   1HD   LYS   5          2HD       LYS   5   4.784  -0.218  -3.411
   28   2HD   LYS   5          1HD       LYS   5   4.379   0.188  -1.741
   29   1HE   LYS   5          2HE       LYS   5   3.403   2.070  -2.403
   30   2HE   LYS   5          1HE       LYS   5   4.890   2.596  -3.192
   31   1HZ   LYS   5          1HZ       LYS   5   2.520   1.362  -4.336
   32   2HZ   LYS   5          2HZ       LYS   5   4.000   0.847  -4.974
   33   3HZ   LYS   5          3HZ       LYS   5   3.589   2.486  -5.009
   34    H    SER   6           H        SER   6   5.802  -0.746   1.426
   35    HA   SER   6           HA       SER   6   4.265  -3.176   0.903
   36   1HB   SER   6          2HB       SER   6   4.637  -1.461   3.358
   37   2HB   SER   6          1HB       SER   6   3.416  -2.730   3.275
   38    HG   SER   6           HG       SER   6   5.385  -3.479   4.176
   39    H    ILE   7           H        ILE   7   2.060  -3.219   0.680
   40    HA   ILE   7           HA       ILE   7   0.640  -0.650   0.673
   41    HB   ILE   7           HB       ILE   7   0.418  -2.714  -1.521
   42   1HG1  ILE   7          2HG1      ILE   7   2.518  -1.360  -1.565
   43   2HG1  ILE   7          1HG1      ILE   7   1.484  -1.099  -2.963
   44   1HG2  ILE   7          1HG2      ILE   7  -1.053  -0.164  -0.955
   45   2HG2  ILE   7          2HG2      ILE   7  -1.700  -1.761  -1.338
   46   3HG2  ILE   7          3HG2      ILE   7  -0.919  -0.802  -2.594
   47   1HD1  ILE   7          1HD1      ILE   7   1.581   1.071  -2.571
   48   2HD1  ILE   7          2HD1      ILE   7   2.493   0.793  -1.089
   49   3HD1  ILE   7          3HD1      ILE   7   0.730   0.810  -1.048
   50    H    HIS   8           H        HIS   8  -1.287  -0.711   1.641
   51    HA   HIS   8           HA       HIS   8  -2.627  -3.302   1.978
   52   1HB   HIS   8          2HB       HIS   8  -3.210  -2.488   4.353
   53   2HB   HIS   8          1HB       HIS   8  -1.591  -3.122   4.074
   54    HD1  HIS   8           1HD      HIS   8  -3.349   0.244   4.262
   55    HD2  HIS   8           2HD      HIS   8   0.394  -1.454   4.873
   56    HE1  HIS   8           1HE      HIS   8  -1.924   2.086   5.207
   57    HE2  HIS   8           2HE      HIS   8   0.317   1.017   5.639
   58    H    ILE   9           H        ILE   9  -4.787  -3.243   1.723
   59    HA   ILE   9           HA       ILE   9  -6.153  -0.647   1.799
   60    HB   ILE   9           HB       ILE   9  -6.585  -2.624  -0.438
   61   1HG1  ILE   9          2HG1      ILE   9  -5.153   0.024  -0.650
   62   2HG1  ILE   9          1HG1      ILE   9  -4.299  -1.498  -0.417
   63   1HG2  ILE   9          1HG2      ILE   9  -7.796  -0.051   0.373
   64   2HG2  ILE   9          2HG2      ILE   9  -8.516  -1.441  -0.440
   65   3HG2  ILE   9          3HG2      ILE   9  -7.531  -0.297  -1.353
   66   1HD1  ILE   9          1HD1      ILE   9  -4.287  -0.916  -2.744
   67   2HD1  ILE   9          2HD1      ILE   9  -6.045  -0.754  -2.749
   68   3HD1  ILE   9          3HD1      ILE   9  -5.306  -2.336  -2.506
   69    H    GLY  10           H        GLY  10  -8.431  -0.773   2.126
   70   1HA   GLY  10          2HA       GLY  10  -9.204  -3.218   3.547
   71   2HA   GLY  10          1HA       GLY  10  -9.983  -1.650   3.692
   72    HA   PRO  11           HA       PRO  11 -12.457  -4.476   0.852
   73   1HB   PRO  11          2HB       PRO  11 -14.790  -4.337   2.238
   74   2HB   PRO  11          1HB       PRO  11 -13.555  -5.562   2.552
   75   1HG   PRO  11          2HG       PRO  11 -14.099  -3.003   4.009
   76   2HG   PRO  11          1HG       PRO  11 -13.725  -4.609   4.666
   77   1HD   PRO  11          2HD       PRO  11 -11.867  -2.653   4.473
   78   2HD   PRO  11          1HD       PRO  11 -11.460  -4.373   4.296
   79    H    GLY  12           H        GLY  12 -12.965  -1.371   2.363
   80   1HA   GLY  12          2HA       GLY  12 -15.055  -0.564   0.544
   81   2HA   GLY  12          1HA       GLY  12 -14.250   0.452   1.729
   82    H    ARG  13           H        ARG  13 -12.265   1.457   1.180
   83    HA   ARG  13           HA       ARG  13 -10.959   1.176  -1.285
   84   1HB   ARG  13          2HB       ARG  13 -11.706   3.433  -2.246
   85   2HB   ARG  13          1HB       ARG  13 -12.795   2.067  -2.438
   86   1HG   ARG  13          2HG       ARG  13 -13.963   2.906  -0.339
   87   2HG   ARG  13          1HG       ARG  13 -13.033   4.390  -0.556
   88   1HD   ARG  13          2HD       ARG  13 -15.305   4.484  -1.553
   89   2HD   ARG  13          1HD       ARG  13 -14.009   4.755  -2.717
   90    HE   ARG  13           HE       ARG  13 -14.884   2.019  -2.565
   91   1HH1  ARG  13          1HH1      ARG  13 -15.444   5.126  -4.052
   92   2HH1  ARG  13          2HH1      ARG  13 -16.227   4.459  -5.445
   93   1HH2  ARG  13          1HH2      ARG  13 -15.911   1.139  -4.398
   94   2HH2  ARG  13          2HH2      ARG  13 -16.493   2.196  -5.640
   95    H    ALA  14           H        ALA  14  -9.257   1.309   0.244
   96    HA   ALA  14           HA       ALA  14  -8.520   4.076   0.884
   97   1HB   ALA  14          1HB       ALA  14  -9.485   2.618   2.857
   98   2HB   ALA  14          2HB       ALA  14  -8.115   3.701   3.103
   99   3HB   ALA  14          3HB       ALA  14  -7.843   1.972   2.875
  100    H    PHE  15           H        PHE  15  -6.901   4.263  -0.580
  101    HA   PHE  15           HA       PHE  15  -4.933   2.140  -0.859
  102   1HB   PHE  15          2HB       PHE  15  -5.660   4.584  -2.388
  103   2HB   PHE  15          1HB       PHE  15  -3.987   4.046  -2.485
  104    HD1  PHE  15           1HD      PHE  15  -3.640   1.528  -3.049
  105    HD2  PHE  15           2HD      PHE  15  -7.226   3.687  -3.819
  106    HE1  PHE  15           1HE      PHE  15  -4.274  -0.137  -4.746
  107    HE2  PHE  15           2HE      PHE  15  -7.866   2.026  -5.516
  108    HZ   PHE  15           HZ       PHE  15  -6.390   0.110  -5.982
  109    H    TYR  16           H        TYR  16  -3.147   2.073   0.319
  110    HA   TYR  16           HA       TYR  16  -2.027   4.601   1.331
  111   1HB   TYR  16          2HB       TYR  16  -2.846   2.193   2.798
  112   2HB   TYR  16          1HB       TYR  16  -1.209   2.739   3.182
  113    HD1  TYR  16           1HD      TYR  16  -4.774   3.535   3.377
  114    HD2  TYR  16           2HD      TYR  16  -0.841   4.891   4.260
  115    HE1  TYR  16           1HE      TYR  16  -5.708   5.245   4.877
  116    HE2  TYR  16           2HE      TYR  16  -1.762   6.605   5.764
  117    HH   TYR  16           HH       TYR  16  -3.749   7.071   7.027
  118    H    THR  17           H        THR  17  -0.181   4.938   0.291
  119    HA   THR  17           HA       THR  17   1.545   2.632  -0.307
  120    HB   THR  17           HB       THR  17   2.393   3.776  -2.177
  121    HG1  THR  17           1HG      THR  17   1.247   6.100  -1.041
  122   1HG2  THR  17          1HG2      THR  17   0.063   3.049  -2.533
  123   2HG2  THR  17          2HG2      THR  17   0.524   4.436  -3.519
  124   3HG2  THR  17          3HG2      THR  17  -0.477   4.666  -2.085
  125    H    THR  18           H        THR  18   3.515   2.502   0.573
  126    HA   THR  18           HA       THR  18   4.780   4.888   1.675
  127    HB   THR  18           HB       THR  18   3.505   4.024   3.556
  128    HG1  THR  18           1HG      THR  18   5.219   3.759   4.977
  129   1HG2  THR  18          1HG2      THR  18   4.474   1.437   2.615
  130   2HG2  THR  18          2HG2      THR  18   3.052   1.843   3.575
  131   3HG2  THR  18          3HG2      THR  18   4.626   1.681   4.355
  132    H    GLY  19           H        GLY  19   7.012   4.777   1.781
  133   1HA   GLY  19          2HA       GLY  19   8.312   3.089  -0.031
  134   2HA   GLY  19          1HA       GLY  19   9.112   4.059   1.198
  135    H    GLU  20           H        GLU  20  10.621   2.231   1.247
  136    HA   GLU  20           HA       GLU  20   9.847  -0.339   2.112
  137   1HB   GLU  20          2HB       GLU  20  12.542   0.891   2.661
  138   2HB   GLU  20          1HB       GLU  20  12.150  -0.805   2.370
  139   1HG   GLU  20          2HG       GLU  20  11.316   0.614   0.090
  140   2HG   GLU  20          1HG       GLU  20  12.915   1.225   0.508
  141    H    ILE  21           H        ILE  21  11.368  -1.014   4.261
  142    HA   ILE  21           HA       ILE  21   9.942   0.344   6.430
  143    HB   ILE  21           HB       ILE  21  11.509  -2.228   6.597
  144   1HG1  ILE  21          2HG1      ILE  21   9.686  -2.424   4.945
  145   2HG1  ILE  21          1HG1      ILE  21   9.378  -3.400   6.377
  146   1HG2  ILE  21          1HG2      ILE  21   9.417  -1.006   8.391
  147   2HG2  ILE  21          2HG2      ILE  21  11.142  -1.143   8.733
  148   3HG2  ILE  21          3HG2      ILE  21  10.149  -2.596   8.612
  149   1HD1  ILE  21          1HD1      ILE  21   7.411  -2.145   5.462
  150   2HD1  ILE  21          2HD1      ILE  21   8.214  -0.661   5.980
  151   3HD1  ILE  21          3HD1      ILE  21   7.754  -1.878   7.173
  Start of MODEL   22
    1   1H    THR   3          1H        THR   3  12.833  -3.367  -0.725
    2    HA   THR   3           HA       THR   3  11.678  -1.012  -1.981
    3    HB   THR   3           HB       THR   3  12.807  -1.892  -4.197
    4    HG1  THR   3           1HG      THR   3  14.688  -2.653  -2.218
    5   1HG2  THR   3          1HG2      THR   3  13.435   0.191  -2.417
    6   2HG2  THR   3          2HG2      THR   3  13.829   0.062  -4.132
    7   3HG2  THR   3          3HG2      THR   3  14.959  -0.537  -2.919
    8    H    ARG   4           H        ARG   4   9.917  -2.523  -1.114
    9    HA   ARG   4           HA       ARG   4   9.179  -4.398  -3.245
   10   1HB   ARG   4          2HB       ARG   4   8.507  -6.041  -1.756
   11   2HB   ARG   4          1HB       ARG   4  10.000  -5.422  -1.049
   12   1HG   ARG   4          2HG       ARG   4   7.722  -3.967  -0.052
   13   2HG   ARG   4          1HG       ARG   4   7.528  -5.701   0.189
   14   1HD   ARG   4          2HD       ARG   4  10.154  -5.259   0.894
   15   2HD   ARG   4          1HD       ARG   4   9.325  -3.815   1.487
   16    HE   ARG   4           HE       ARG   4   8.266  -5.106   3.066
   17   1HH1  ARG   4          1HH1      ARG   4   9.769  -7.190   0.703
   18   2HH1  ARG   4          2HH1      ARG   4   9.503  -8.633   1.623
   19   1HH2  ARG   4          1HH2      ARG   4   7.915  -7.001   4.276
   20   2HH2  ARG   4          2HH2      ARG   4   8.451  -8.526   3.651
   21    H    LYS   5           H        LYS   5   8.359  -1.573  -1.811
   22    HA   LYS   5           HA       LYS   5   6.478  -0.301  -1.715
   23   1HB   LYS   5          2HB       LYS   5   6.262  -1.915  -4.081
   24   2HB   LYS   5          1HB       LYS   5   4.663  -1.673  -3.397
   25   1HG   LYS   5          2HG       LYS   5   6.612   0.538  -4.021
   26   2HG   LYS   5          1HG       LYS   5   5.276   0.029  -5.071
   27   1HD   LYS   5          2HD       LYS   5   3.684   0.932  -3.703
   28   2HD   LYS   5          1HD       LYS   5   4.647   0.703  -2.243
   29   1HE   LYS   5          2HE       LYS   5   6.041   2.528  -3.894
   30   2HE   LYS   5          1HE       LYS   5   4.354   3.040  -3.857
   31   1HZ   LYS   5          1HZ       LYS   5   6.329   3.013  -1.733
   32   2HZ   LYS   5          2HZ       LYS   5   4.777   2.516  -1.282
   33   3HZ   LYS   5          3HZ       LYS   5   5.007   4.042  -1.971
   34    H    SER   6           H        SER   6   5.539  -0.419   0.230
   35    HA   SER   6           HA       SER   6   3.980  -2.801   0.927
   36   1HB   SER   6          2HB       SER   6   5.780  -1.549   2.440
   37   2HB   SER   6          1HB       SER   6   4.379  -0.567   2.865
   38    HG   SER   6           HG       SER   6   4.948  -3.209   3.464
   39    H    ILE   7           H        ILE   7   1.906  -2.726   0.354
   40    HA   ILE   7           HA       ILE   7   0.447  -0.198   0.754
   41    HB   ILE   7           HB       ILE   7  -0.138  -2.206  -1.419
   42   1HG1  ILE   7          2HG1      ILE   7   0.764   0.451  -2.245
   43   2HG1  ILE   7          1HG1      ILE   7   1.996  -0.442  -1.358
   44   1HG2  ILE   7          1HG2      ILE   7  -1.842  -0.430  -0.311
   45   2HG2  ILE   7          2HG2      ILE   7  -1.928  -0.961  -1.990
   46   3HG2  ILE   7          3HG2      ILE   7  -1.131   0.559  -1.586
   47   1HD1  ILE   7          1HD1      ILE   7   2.499  -1.344  -3.326
   48   2HD1  ILE   7          2HD1      ILE   7   0.975  -0.831  -4.052
   49   3HD1  ILE   7          3HD1      ILE   7   1.047  -2.319  -3.106
   50    H    HIS   8           H        HIS   8  -1.455  -0.283   1.797
   51    HA   HIS   8           HA       HIS   8  -2.527  -2.942   2.478
   52   1HB   HIS   8          2HB       HIS   8  -2.102  -0.567   4.291
   53   2HB   HIS   8          1HB       HIS   8  -3.186  -1.891   4.705
   54    HD1  HIS   8           1HD      HIS   8  -2.068  -3.388   6.310
   55    HD2  HIS   8           2HD      HIS   8   0.591  -1.922   3.473
   56    HE1  HIS   8           1HE      HIS   8   0.145  -4.450   6.852
   57    HE2  HIS   8           2HE      HIS   8   1.757  -3.484   5.176
   58    H    ILE   9           H        ILE   9  -4.504  -3.166   1.681
   59    HA   ILE   9           HA       ILE   9  -6.277  -0.813   1.621
   60    HB   ILE   9           HB       ILE   9  -6.347  -3.034  -0.416
   61   1HG1  ILE   9          2HG1      ILE   9  -5.474  -0.923  -1.837
   62   2HG1  ILE   9          1HG1      ILE   9  -4.710  -0.558  -0.293
   63   1HG2  ILE   9          1HG2      ILE   9  -8.427  -2.038  -0.445
   64   2HG2  ILE   9          2HG2      ILE   9  -7.562  -1.097  -1.660
   65   3HG2  ILE   9          3HG2      ILE   9  -7.788  -0.447  -0.035
   66   1HD1  ILE   9          1HD1      ILE   9  -3.201  -2.179  -0.530
   67   2HD1  ILE   9          2HD1      ILE   9  -3.662  -2.146  -2.232
   68   3HD1  ILE   9          3HD1      ILE   9  -4.387  -3.329  -1.145
   69    H    GLY  10           H        GLY  10  -8.580  -1.307   1.700
   70   1HA   GLY  10          2HA       GLY  10  -9.263  -3.966   2.722
   71   2HA   GLY  10          1HA       GLY  10  -9.565  -2.589   3.771
   72    HA   PRO  11           HA       PRO  11 -13.530  -3.464   1.508
   73   1HB   PRO  11          2HB       PRO  11 -14.401  -1.819   3.839
   74   2HB   PRO  11          1HB       PRO  11 -15.128  -3.279   3.156
   75   1HG   PRO  11          2HG       PRO  11 -13.732  -3.396   5.418
   76   2HG   PRO  11          1HG       PRO  11 -13.613  -4.687   4.208
   77   1HD   PRO  11          2HD       PRO  11 -11.685  -2.498   4.843
   78   2HD   PRO  11          1HD       PRO  11 -11.371  -4.174   4.352
   79    H    GLY  12           H        GLY  12 -11.974  -0.567   2.673
   80   1HA   GLY  12          2HA       GLY  12 -13.740   1.242   1.290
   81   2HA   GLY  12          1HA       GLY  12 -12.238   1.662   2.096
   82    H    ARG  13           H        ARG  13 -11.653   3.015   0.355
   83    HA   ARG  13           HA       ARG  13 -10.521   1.536  -1.908
   84   1HB   ARG  13          2HB       ARG  13 -12.161   4.064  -2.158
   85   2HB   ARG  13          1HB       ARG  13 -11.265   3.306  -3.467
   86   1HG   ARG  13          2HG       ARG  13 -12.758   1.593  -3.687
   87   2HG   ARG  13          1HG       ARG  13 -13.266   1.670  -1.999
   88   1HD   ARG  13          2HD       ARG  13 -13.861   4.051  -3.633
   89   2HD   ARG  13          1HD       ARG  13 -14.741   2.587  -4.066
   90    HE   ARG  13           HE       ARG  13 -15.076   4.176  -1.693
   91   1HH1  ARG  13          1HH1      ARG  13 -15.511   1.016  -3.110
   92   2HH1  ARG  13          2HH1      ARG  13 -16.775   0.563  -2.018
   93   1HH2  ARG  13          1HH2      ARG  13 -16.739   3.582  -0.255
   94   2HH2  ARG  13          2HH2      ARG  13 -17.474   2.019  -0.397
   95    H    ALA  14           H        ALA  14  -9.362   2.685   0.510
   96    HA   ALA  14           HA       ALA  14  -7.900   5.019  -0.443
   97   1HB   ALA  14          1HB       ALA  14  -8.319   5.449   1.739
   98   2HB   ALA  14          2HB       ALA  14  -6.812   4.560   1.960
   99   3HB   ALA  14          3HB       ALA  14  -8.359   3.742   2.182
  100    H    PHE  15           H        PHE  15  -5.869   4.986  -1.184
  101    HA   PHE  15           HA       PHE  15  -4.473   2.400  -1.206
  102   1HB   PHE  15          2HB       PHE  15  -4.606   4.696  -3.089
  103   2HB   PHE  15          1HB       PHE  15  -3.069   3.844  -2.981
  104    HD1  PHE  15           1HD      PHE  15  -3.650   1.103  -2.757
  105    HD2  PHE  15           2HD      PHE  15  -5.781   4.064  -4.948
  106    HE1  PHE  15           1HE      PHE  15  -4.502  -0.639  -4.271
  107    HE2  PHE  15           2HE      PHE  15  -6.637   2.328  -6.466
  108    HZ   PHE  15           HZ       PHE  15  -5.999  -0.028  -6.129
  109    H    TYR  16           H        TYR  16  -3.214   2.306   0.566
  110    HA   TYR  16           HA       TYR  16  -1.734   4.652   1.441
  111   1HB   TYR  16          2HB       TYR  16  -2.334   1.961   2.600
  112   2HB   TYR  16          1HB       TYR  16  -0.918   2.840   3.189
  113    HD1  TYR  16           1HD      TYR  16  -4.563   3.370   2.538
  114    HD2  TYR  16           2HD      TYR  16  -1.192   4.300   4.962
  115    HE1  TYR  16           1HE      TYR  16  -6.009   4.672   4.040
  116    HE2  TYR  16           2HE      TYR  16  -2.629   5.605   6.471
  117    HH   TYR  16           HH       TYR  16  -4.798   6.792   6.380
  118    H    THR  17           H        THR  17   0.049   5.078   0.311
  119    HA   THR  17           HA       THR  17   1.859   2.847  -0.348
  120    HB   THR  17           HB       THR  17   2.770   4.487  -2.085
  121    HG1  THR  17           1HG      THR  17   0.264   5.732  -1.643
  122   1HG2  THR  17          1HG2      THR  17   0.916   4.103  -3.693
  123   2HG2  THR  17          2HG2      THR  17  -0.024   3.418  -2.364
  124   3HG2  THR  17          3HG2      THR  17   1.481   2.649  -2.869
  125    H    THR  18           H        THR  18   3.398   2.766   1.161
  126    HA   THR  18           HA       THR  18   5.052   5.115   1.583
  127    HB   THR  18           HB       THR  18   4.990   4.843   4.058
  128    HG1  THR  18           1HG      THR  18   2.762   3.176   3.514
  129   1HG2  THR  18          1HG2      THR  18   2.151   5.291   3.348
  130   2HG2  THR  18          2HG2      THR  18   3.359   6.364   2.638
  131   3HG2  THR  18          3HG2      THR  18   3.227   6.223   4.391
  132    H    GLY  19           H        GLY  19   6.868   4.416   3.272
  133   1HA   GLY  19          2HA       GLY  19   8.743   3.129   3.568
  134   2HA   GLY  19          1HA       GLY  19   7.643   1.760   3.540
  135    H    GLU  20           H        GLU  20  10.085   1.303   2.588
  136    HA   GLU  20           HA       GLU  20  11.271   0.550   0.798
  137   1HB   GLU  20          2HB       GLU  20   8.954   0.464  -1.033
  138   2HB   GLU  20          1HB       GLU  20  10.113  -0.798  -0.613
  139   1HG   GLU  20          2HG       GLU  20   7.660   0.038   0.912
  140   2HG   GLU  20          1HG       GLU  20   7.984  -1.509   0.137
  141    H    ILE  21           H        ILE  21  11.838   1.017  -1.560
  142    HA   ILE  21           HA       ILE  21  11.087   3.726  -2.378
  143    HB   ILE  21           HB       ILE  21  13.977   2.887  -2.189
  144   1HG1  ILE  21          2HG1      ILE  21  12.935   3.159   0.052
  145   2HG1  ILE  21          1HG1      ILE  21  14.176   4.365  -0.278
  146   1HG2  ILE  21          1HG2      ILE  21  14.332   5.353  -2.534
  147   2HG2  ILE  21          2HG2      ILE  21  12.613   5.470  -2.915
  148   3HG2  ILE  21          3HG2      ILE  21  13.673   4.483  -3.921
  149   1HD1  ILE  21          1HD1      ILE  21  11.585   4.816   0.602
  150   2HD1  ILE  21          2HD1      ILE  21  11.583   5.308  -1.092
  151   3HD1  ILE  21          3HD1      ILE  21  12.742   6.019   0.033
  Start of MODEL   23
    1   1H    THR   3          1H        THR   3  14.699  -3.357   0.388
    2    HA   THR   3           HA       THR   3  12.857  -1.384   1.473
    3    HB   THR   3           HB       THR   3  15.068  -0.568   1.138
    4    HG1  THR   3           1HG      THR   3  14.341   1.191   0.289
    5   1HG2  THR   3          1HG2      THR   3  16.074  -0.496  -1.164
    6   2HG2  THR   3          2HG2      THR   3  14.874  -1.699  -1.635
    7   3HG2  THR   3          3HG2      THR   3  16.055  -2.075  -0.379
    8    H    ARG   4           H        ARG   4  11.072  -2.812   0.572
    9    HA   ARG   4           HA       ARG   4  10.614  -2.353  -2.282
   10   1HB   ARG   4          2HB       ARG   4   8.955  -4.082  -2.173
   11   2HB   ARG   4          1HB       ARG   4  10.411  -4.662  -1.365
   12   1HG   ARG   4          2HG       ARG   4   8.982  -3.526   0.686
   13   2HG   ARG   4          1HG       ARG   4   7.731  -4.248  -0.325
   14   1HD   ARG   4          2HD       ARG   4   9.430  -6.281  -0.330
   15   2HD   ARG   4          1HD       ARG   4   9.940  -5.535   1.190
   16    HE   ARG   4           HE       ARG   4   7.458  -6.913   0.663
   17   1HH1  ARG   4          1HH1      ARG   4   9.119  -4.650   2.741
   18   2HH1  ARG   4          2HH1      ARG   4   8.063  -4.922   4.087
   19   1HH2  ARG   4          1HH2      ARG   4   6.071  -7.269   2.433
   20   2HH2  ARG   4          2HH2      ARG   4   6.335  -6.407   3.912
   21    H    LYS   5           H        LYS   5   7.776  -2.563  -2.202
   22    HA   LYS   5           HA       LYS   5   7.131   0.081  -1.095
   23   1HB   LYS   5          2HB       LYS   5   6.715  -1.032  -3.646
   24   2HB   LYS   5          1HB       LYS   5   5.127  -0.951  -2.897
   25   1HG   LYS   5          2HG       LYS   5   6.093   1.500  -2.284
   26   2HG   LYS   5          1HG       LYS   5   6.891   1.198  -3.836
   27   1HD   LYS   5          2HD       LYS   5   3.923   0.980  -3.322
   28   2HD   LYS   5          1HD       LYS   5   4.726   2.345  -4.099
   29   1HE   LYS   5          2HE       LYS   5   4.879   1.275  -6.060
   30   2HE   LYS   5          1HE       LYS   5   5.402  -0.226  -5.299
   31   1HZ   LYS   5          1HZ       LYS   5   2.583   0.667  -5.235
   32   2HZ   LYS   5          2HZ       LYS   5   3.199  -0.877  -4.925
   33   3HZ   LYS   5          3HZ       LYS   5   3.199  -0.268  -6.503
   34    H    SER   6           H        SER   6   5.927   0.128   0.674
   35    HA   SER   6           HA       SER   6   4.418  -2.238   1.458
   36   1HB   SER   6          2HB       SER   6   5.925  -0.376   2.879
   37   2HB   SER   6          1HB       SER   6   4.257   0.015   3.295
   38    HG   SER   6           HG       SER   6   5.606  -2.452   3.607
   39    H    ILE   7           H        ILE   7   2.241  -2.356   1.577
   40    HA   ILE   7           HA       ILE   7   0.621   0.046   1.304
   41    HB   ILE   7           HB       ILE   7   0.281  -2.236  -0.643
   42   1HG1  ILE   7          2HG1      ILE   7   1.450   0.520  -1.093
   43   2HG1  ILE   7          1HG1      ILE   7   2.342  -0.996  -1.129
   44   1HG2  ILE   7          1HG2      ILE   7  -1.700  -0.773   0.128
   45   2HG2  ILE   7          2HG2      ILE   7  -1.459  -1.031  -1.599
   46   3HG2  ILE   7          3HG2      ILE   7  -0.950   0.485  -0.855
   47   1HD1  ILE   7          1HD1      ILE   7   1.996  -0.955  -3.322
   48   2HD1  ILE   7          2HD1      ILE   7   0.741   0.278  -3.187
   49   3HD1  ILE   7          3HD1      ILE   7   0.337  -1.421  -2.952
   50    H    HIS   8           H        HIS   8  -1.375  -0.132   2.220
   51    HA   HIS   8           HA       HIS   8  -2.192  -2.787   3.190
   52   1HB   HIS   8          2HB       HIS   8  -1.868  -0.241   4.740
   53   2HB   HIS   8          1HB       HIS   8  -3.095  -1.405   5.228
   54    HD1  HIS   8           1HD      HIS   8  -2.202  -3.799   5.956
   55    HD2  HIS   8           2HD      HIS   8   0.703  -0.868   5.475
   56    HE1  HIS   8           1HE      HIS   8  -0.149  -4.692   7.103
   57    HE2  HIS   8           2HE      HIS   8   1.614  -2.927   6.748
   58    H    ILE   9           H        ILE   9  -3.681  -2.869   1.454
   59    HA   ILE   9           HA       ILE   9  -5.963  -1.023   1.732
   60    HB   ILE   9           HB       ILE   9  -6.489  -1.676  -0.663
   61   1HG1  ILE   9          2HG1      ILE   9  -3.617  -2.627  -0.554
   62   2HG1  ILE   9          1HG1      ILE   9  -5.032  -3.648  -0.786
   63   1HG2  ILE   9          1HG2      ILE   9  -4.265  -0.243  -1.363
   64   2HG2  ILE   9          2HG2      ILE   9  -4.443   0.145   0.348
   65   3HG2  ILE   9          3HG2      ILE   9  -5.777   0.442  -0.767
   66   1HD1  ILE   9          1HD1      ILE   9  -4.618  -3.423  -2.957
   67   2HD1  ILE   9          2HD1      ILE   9  -3.548  -2.044  -2.700
   68   3HD1  ILE   9          3HD1      ILE   9  -5.293  -1.803  -2.791
   69    H    GLY  10           H        GLY  10  -8.069  -1.882   1.514
   70   1HA   GLY  10          2HA       GLY  10  -8.319  -4.801   1.484
   71   2HA   GLY  10          1HA       GLY  10  -8.905  -3.947   2.902
   72    HA   PRO  11           HA       PRO  11 -12.261  -4.492  -0.454
   73   1HB   PRO  11          2HB       PRO  11 -13.696  -5.268   2.038
   74   2HB   PRO  11          1HB       PRO  11 -13.789  -5.972   0.418
   75   1HG   PRO  11          2HG       PRO  11 -12.461  -7.214   2.362
   76   2HG   PRO  11          1HG       PRO  11 -11.845  -7.204   0.699
   77   1HD   PRO  11          2HD       PRO  11 -10.935  -5.632   3.069
   78   2HD   PRO  11          1HD       PRO  11  -9.984  -6.330   1.742
   79    H    GLY  12           H        GLY  12 -12.141  -2.178  -0.573
   80   1HA   GLY  12          2HA       GLY  12 -14.409  -0.866   0.496
   81   2HA   GLY  12          1HA       GLY  12 -12.974  -0.387   1.390
   82    H    ARG  13           H        ARG  13 -12.087   1.430   0.696
   83    HA   ARG  13           HA       ARG  13 -11.558   1.896  -2.077
   84   1HB   ARG  13          2HB       ARG  13 -12.845   4.024  -2.221
   85   2HB   ARG  13          1HB       ARG  13 -13.862   2.592  -2.123
   86   1HG   ARG  13          2HG       ARG  13 -14.503   3.050   0.074
   87   2HG   ARG  13          1HG       ARG  13 -13.169   4.181   0.321
   88   1HD   ARG  13          2HD       ARG  13 -14.460   5.342  -1.764
   89   2HD   ARG  13          1HD       ARG  13 -15.809   4.600  -0.904
   90    HE   ARG  13           HE       ARG  13 -15.532   6.125   0.783
   91   1HH1  ARG  13          1HH1      ARG  13 -12.713   6.181  -1.274
   92   2HH1  ARG  13          2HH1      ARG  13 -12.034   7.583  -0.518
   93   1HH2  ARG  13          1HH2      ARG  13 -14.642   7.970   1.779
   94   2HH2  ARG  13          2HH2      ARG  13 -13.129   8.598   1.216
   95    H    ALA  14           H        ALA  14  -9.976   1.695   0.241
   96    HA   ALA  14           HA       ALA  14  -8.952   4.451   0.475
   97   1HB   ALA  14          1HB       ALA  14  -7.910   3.287   2.663
   98   2HB   ALA  14          2HB       ALA  14  -9.414   2.373   2.519
   99   3HB   ALA  14          3HB       ALA  14  -9.459   4.131   2.653
  100    H    PHE  15           H        PHE  15  -7.114   4.697  -0.598
  101    HA   PHE  15           HA       PHE  15  -5.401   2.374  -1.078
  102   1HB   PHE  15          2HB       PHE  15  -6.173   4.596  -2.651
  103   2HB   PHE  15          1HB       PHE  15  -4.446   4.767  -2.354
  104    HD1  PHE  15           1HD      PHE  15  -3.390   2.125  -2.389
  105    HD2  PHE  15           2HD      PHE  15  -6.519   3.770  -4.758
  106    HE1  PHE  15           1HE      PHE  15  -2.923   0.471  -4.148
  107    HE2  PHE  15           2HE      PHE  15  -6.057   2.119  -6.522
  108    HZ   PHE  15           HZ       PHE  15  -4.257   0.465  -6.218
  109    H    TYR  16           H        TYR  16  -3.329   2.220  -0.361
  110    HA   TYR  16           HA       TYR  16  -2.198   4.477   1.130
  111   1HB   TYR  16          2HB       TYR  16  -2.881   1.782   2.183
  112   2HB   TYR  16          1HB       TYR  16  -1.349   2.486   2.710
  113    HD1  TYR  16           1HD      TYR  16  -4.922   2.490   3.117
  114    HD2  TYR  16           2HD      TYR  16  -1.391   4.753   3.834
  115    HE1  TYR  16           1HE      TYR  16  -6.123   3.822   4.798
  116    HE2  TYR  16           2HE      TYR  16  -2.582   6.090   5.517
  117    HH   TYR  16           HH       TYR  16  -5.073   5.330   7.045
  118    H    THR  17           H        THR  17  -0.946   4.633  -0.862
  119    HA   THR  17           HA       THR  17   1.061   2.529  -1.221
  120    HB   THR  17           HB       THR  17   1.494   3.444  -3.366
  121    HG1  THR  17           1HG      THR  17  -0.105   5.676  -2.665
  122   1HG2  THR  17          1HG2      THR  17  -0.909   2.446  -2.879
  123   2HG2  THR  17          2HG2      THR  17  -0.450   3.082  -4.460
  124   3HG2  THR  17          3HG2      THR  17  -1.394   4.076  -3.348
  125    H    THR  18           H        THR  18   2.929   2.744  -0.202
  126    HA   THR  18           HA       THR  18   4.267   5.321  -0.147
  127    HB   THR  18           HB       THR  18   2.933   5.313   1.924
  128    HG1  THR  18           1HG      THR  18   5.671   4.893   2.515
  129   1HG2  THR  18          1HG2      THR  18   4.052   2.624   2.207
  130   2HG2  THR  18          2HG2      THR  18   2.575   3.322   2.873
  131   3HG2  THR  18          3HG2      THR  18   4.124   3.616   3.664
  132    H    GLY  19           H        GLY  19   6.526   5.123   0.655
  133   1HA   GLY  19          2HA       GLY  19   7.738   2.777  -0.486
  134   2HA   GLY  19          1HA       GLY  19   8.580   4.150   0.220
  135    H    GLU  20           H        GLU  20   8.618   1.059   0.495
  136    HA   GLU  20           HA       GLU  20   8.199   0.787   3.365
  137   1HB   GLU  20          2HB       GLU  20   7.657  -0.965   1.480
  138   2HB   GLU  20          1HB       GLU  20   9.364  -1.378   1.653
  139   1HG   GLU  20          2HG       GLU  20   7.320  -1.408   3.865
  140   2HG   GLU  20          1HG       GLU  20   7.918  -2.820   2.993
  141    H    ILE  21           H        ILE  21   9.912   2.381   3.822
  142    HA   ILE  21           HA       ILE  21  12.639   1.399   3.419
  143    HB   ILE  21           HB       ILE  21  11.795   4.008   4.678
  144   1HG1  ILE  21          2HG1      ILE  21  10.918   3.834   2.380
  145   2HG1  ILE  21          1HG1      ILE  21  12.193   5.042   2.497
  146   1HG2  ILE  21          1HG2      ILE  21  13.978   4.578   4.744
  147   2HG2  ILE  21          2HG2      ILE  21  14.363   3.712   3.257
  148   3HG2  ILE  21          3HG2      ILE  21  14.208   2.830   4.776
  149   1HD1  ILE  21          1HD1      ILE  21  13.300   4.037   0.875
  150   2HD1  ILE  21          2HD1      ILE  21  12.013   2.838   0.748
  151   3HD1  ILE  21          3HD1      ILE  21  13.381   2.553   1.825
  Start of MODEL   24
    1   1H    THR   3          1H        THR   3  12.082  -3.379   2.215
    2    HA   THR   3           HA       THR   3  12.063  -1.827  -0.274
    3    HB   THR   3           HB       THR   3  13.842  -3.096  -1.242
    4    HG1  THR   3           1HG      THR   3  13.653  -4.678   1.091
    5   1HG2  THR   3          1HG2      THR   3  14.361  -1.366   0.743
    6   2HG2  THR   3          2HG2      THR   3  15.607  -2.191  -0.193
    7   3HG2  THR   3          3HG2      THR   3  15.131  -2.817   1.385
    8    H    ARG   4           H        ARG   4   9.763  -2.626   0.155
    9    HA   ARG   4           HA       ARG   4   9.394  -5.084  -1.368
   10   1HB   ARG   4          2HB       ARG   4   8.723  -6.330   0.336
   11   2HB   ARG   4          1HB       ARG   4   9.223  -5.028   1.414
   12   1HG   ARG   4          2HG       ARG   4   6.474  -5.172   0.205
   13   2HG   ARG   4          1HG       ARG   4   6.905  -5.934   1.727
   14   1HD   ARG   4          2HD       ARG   4   7.893  -3.410   2.062
   15   2HD   ARG   4          1HD       ARG   4   6.432  -3.116   1.107
   16    HE   ARG   4           HE       ARG   4   6.547  -3.817   3.847
   17   1HH1  ARG   4          1HH1      ARG   4   4.689  -4.400   0.949
   18   2HH1  ARG   4          2HH1      ARG   4   3.227  -4.751   1.808
   19   1HH2  ARG   4          1HH2      ARG   4   4.624  -4.277   4.976
   20   2HH2  ARG   4          2HH2      ARG   4   3.189  -4.680   4.094
   21    H    LYS   5           H        LYS   5   8.642  -1.928  -1.039
   22    HA   LYS   5           HA       LYS   5   7.011  -0.569  -1.854
   23   1HB   LYS   5          2HB       LYS   5   7.463  -2.026  -3.876
   24   2HB   LYS   5          1HB       LYS   5   6.062  -2.980  -3.404
   25   1HG   LYS   5          2HG       LYS   5   4.933  -1.603  -4.750
   26   2HG   LYS   5          1HG       LYS   5   5.023  -0.466  -3.392
   27   1HD   LYS   5          2HD       LYS   5   7.444  -0.327  -4.924
   28   2HD   LYS   5          1HD       LYS   5   6.058  -0.156  -6.004
   29   1HE   LYS   5          2HE       LYS   5   6.063   1.993  -5.394
   30   2HE   LYS   5          1HE       LYS   5   5.359   1.431  -3.879
   31   1HZ   LYS   5          1HZ       LYS   5   7.857   1.092  -3.257
   32   2HZ   LYS   5          2HZ       LYS   5   7.137   2.617  -3.120
   33   3HZ   LYS   5          3HZ       LYS   5   8.112   2.260  -4.455
   34    H    SER   6           H        SER   6   5.973  -0.370   0.164
   35    HA   SER   6           HA       SER   6   4.082  -2.165   1.190
   36   1HB   SER   6          2HB       SER   6   4.900   0.617   1.734
   37   2HB   SER   6          1HB       SER   6   3.256   0.212   2.226
   38    HG   SER   6           HG       SER   6   5.320  -0.253   3.622
   39    H    ILE   7           H        ILE   7   2.302  -2.799   0.191
   40    HA   ILE   7           HA       ILE   7   0.463  -0.770  -0.845
   41    HB   ILE   7           HB       ILE   7   1.132  -3.275  -2.392
   42   1HG1  ILE   7          2HG1      ILE   7   2.973  -1.601  -2.417
   43   2HG1  ILE   7          1HG1      ILE   7   2.245  -1.844  -4.000
   44   1HG2  ILE   7          1HG2      ILE   7  -0.152  -1.780  -4.156
   45   2HG2  ILE   7          2HG2      ILE   7  -0.878  -1.110  -2.693
   46   3HG2  ILE   7          3HG2      ILE   7  -1.012  -2.835  -3.032
   47   1HD1  ILE   7          1HD1      ILE   7   2.605   0.565  -2.575
   48   2HD1  ILE   7          2HD1      ILE   7   0.870   0.274  -2.710
   49   3HD1  ILE   7          3HD1      ILE   7   1.871   0.324  -4.160
   50    H    HIS   8           H        HIS   8  -0.735  -1.200   1.064
   51    HA   HIS   8           HA       HIS   8  -1.883  -3.885   1.300
   52   1HB   HIS   8          2HB       HIS   8  -0.889  -2.217   3.221
   53   2HB   HIS   8          1HB       HIS   8  -2.613  -1.873   3.320
   54    HD1  HIS   8           1HD      HIS   8  -2.015  -3.040   5.777
   55    HD2  HIS   8           2HD      HIS   8  -2.273  -5.506   2.443
   56    HE1  HIS   8           1HE      HIS   8  -2.367  -5.358   6.684
   57    HE2  HIS   8           2HE      HIS   8  -2.431  -6.846   4.650
   58    H    ILE   9           H        ILE   9  -4.073  -4.272   1.255
   59    HA   ILE   9           HA       ILE   9  -5.891  -2.047   0.732
   60    HB   ILE   9           HB       ILE   9  -5.797  -4.447  -1.095
   61   1HG1  ILE   9          2HG1      ILE   9  -3.813  -2.969  -1.373
   62   2HG1  ILE   9          1HG1      ILE   9  -4.855  -2.998  -2.792
   63   1HG2  ILE   9          1HG2      ILE   9  -7.932  -3.773  -1.368
   64   2HG2  ILE   9          2HG2      ILE   9  -7.192  -2.564  -2.418
   65   3HG2  ILE   9          3HG2      ILE   9  -7.612  -2.149  -0.756
   66   1HD1  ILE   9          1HD1      ILE   9  -5.585  -0.871  -0.980
   67   2HD1  ILE   9          2HD1      ILE   9  -5.175  -0.808  -2.694
   68   3HD1  ILE   9          3HD1      ILE   9  -3.897  -0.764  -1.480
   69    H    GLY  10           H        GLY  10  -7.994  -2.424   1.380
   70   1HA   GLY  10          2HA       GLY  10  -8.705  -5.125   2.268
   71   2HA   GLY  10          1HA       GLY  10  -8.725  -3.838   3.464
   72    HA   PRO  11           HA       PRO  11 -12.920  -2.994   2.428
   73   1HB   PRO  11          2HB       PRO  11 -13.020  -0.282   2.792
   74   2HB   PRO  11          1HB       PRO  11 -13.023  -1.452   4.115
   75   1HG   PRO  11          2HG       PRO  11 -10.751   0.142   3.000
   76   2HG   PRO  11          1HG       PRO  11 -11.153  -0.204   4.693
   77   1HD   PRO  11          2HD       PRO  11  -9.217  -1.543   3.388
   78   2HD   PRO  11          1HD       PRO  11 -10.244  -2.330   4.604
   79    H    GLY  12           H        GLY  12 -10.359  -1.284   0.792
   80   1HA   GLY  12          2HA       GLY  12 -10.321  -1.114  -1.588
   81   2HA   GLY  12          1HA       GLY  12 -12.077  -1.104  -1.583
   82    H    ARG  13           H        ARG  13 -12.063   0.874   0.671
   83    HA   ARG  13           HA       ARG  13 -11.712   3.240  -1.010
   84   1HB   ARG  13          2HB       ARG  13 -13.428   2.520   1.288
   85   2HB   ARG  13          1HB       ARG  13 -12.871   4.187   1.250
   86   1HG   ARG  13          2HG       ARG  13 -13.693   3.995  -1.269
   87   2HG   ARG  13          1HG       ARG  13 -14.739   2.766  -0.552
   88   1HD   ARG  13          2HD       ARG  13 -14.954   4.814   1.243
   89   2HD   ARG  13          1HD       ARG  13 -14.791   5.685  -0.281
   90    HE   ARG  13           HE       ARG  13 -17.045   4.155   0.600
   91   1HH1  ARG  13          1HH1      ARG  13 -15.311   5.271  -2.216
   92   2HH1  ARG  13          2HH1      ARG  13 -16.693   5.186  -3.255
   93   1HH2  ARG  13          1HH2      ARG  13 -18.865   4.046  -0.765
   94   2HH2  ARG  13          2HH2      ARG  13 -18.711   4.491  -2.432
   95    H    ALA  14           H        ALA  14  -9.456   1.819   0.282
   96    HA   ALA  14           HA       ALA  14  -8.229   4.157   1.494
   97   1HB   ALA  14          1HB       ALA  14  -8.185   1.523   2.957
   98   2HB   ALA  14          2HB       ALA  14  -9.261   2.860   3.366
   99   3HB   ALA  14          3HB       ALA  14  -7.512   3.063   3.492
  100    H    PHE  15           H        PHE  15  -6.482   4.405   0.265
  101    HA   PHE  15           HA       PHE  15  -4.900   2.012  -0.411
  102   1HB   PHE  15          2HB       PHE  15  -6.114   3.683  -2.205
  103   2HB   PHE  15          1HB       PHE  15  -4.506   4.391  -2.102
  104    HD1  PHE  15           1HD      PHE  15  -2.653   2.305  -1.945
  105    HD2  PHE  15           2HD      PHE  15  -6.357   2.345  -4.040
  106    HE1  PHE  15           1HE      PHE  15  -1.796   0.588  -3.484
  107    HE2  PHE  15           2HE      PHE  15  -5.509   0.625  -5.583
  108    HZ   PHE  15           HZ       PHE  15  -3.224  -0.256  -5.304
  109    H    TYR  16           H        TYR  16  -3.662   2.237   1.499
  110    HA   TYR  16           HA       TYR  16  -1.986   4.638   1.677
  111   1HB   TYR  16          2HB       TYR  16  -2.941   2.612   3.626
  112   2HB   TYR  16          1HB       TYR  16  -1.322   3.267   3.895
  113    HD1  TYR  16           1HD      TYR  16  -4.907   4.090   3.705
  114    HD2  TYR  16           2HD      TYR  16  -1.010   5.538   4.607
  115    HE1  TYR  16           1HE      TYR  16  -5.898   6.078   4.758
  116    HE2  TYR  16           2HE      TYR  16  -1.989   7.530   5.664
  117    HH   TYR  16           HH       TYR  16  -5.022   8.553   5.204
  118    H    THR  17           H        THR  17   0.103   4.589   1.133
  119    HA   THR  17           HA       THR  17   1.520   2.033   1.081
  120    HB   THR  17           HB       THR  17   2.326   2.321  -1.153
  121    HG1  THR  17           1HG      THR  17   2.573   4.498  -1.335
  122   1HG2  THR  17          1HG2      THR  17   0.157   1.298  -1.146
  123   2HG2  THR  17          2HG2      THR  17   0.281   2.390  -2.526
  124   3HG2  THR  17          3HG2      THR  17  -0.629   2.875  -1.095
  125    H    THR  18           H        THR  18   3.709   2.168   1.419
  126    HA   THR  18           HA       THR  18   4.749   4.854   2.046
  127    HB   THR  18           HB       THR  18   6.077   3.898   3.800
  128    HG1  THR  18           1HG      THR  18   6.688   1.944   3.054
  129   1HG2  THR  18          1HG2      THR  18   3.323   2.699   3.962
  130   2HG2  THR  18          2HG2      THR  18   3.782   4.323   4.469
  131   3HG2  THR  18          3HG2      THR  18   4.440   2.918   5.308
  132    H    GLY  19           H        GLY  19   6.800   5.396   1.353
  133   1HA   GLY  19          2HA       GLY  19   7.727   4.109  -0.994
  134   2HA   GLY  19          1HA       GLY  19   8.559   5.389  -0.131
  135    H    GLU  20           H        GLU  20   9.011   2.459  -1.270
  136    HA   GLU  20           HA       GLU  20  10.783   1.641   0.940
  137   1HB   GLU  20          2HB       GLU  20   9.620  -0.247  -1.108
  138   2HB   GLU  20          1HB       GLU  20  10.408  -0.653   0.419
  139   1HG   GLU  20          2HG       GLU  20   7.761   0.765   0.167
  140   2HG   GLU  20          1HG       GLU  20   7.964  -0.959   0.468
  141    H    ILE  21           H        ILE  21  12.782   0.584   0.283
  142    HA   ILE  21           HA       ILE  21  13.866   1.825  -2.112
  143    HB   ILE  21           HB       ILE  21  15.344   0.143  -0.093
  144   1HG1  ILE  21          2HG1      ILE  21  15.140   3.157  -0.123
  145   2HG1  ILE  21          1HG1      ILE  21  14.125   2.139   0.893
  146   1HG2  ILE  21          1HG2      ILE  21  16.496   2.341  -1.763
  147   2HG2  ILE  21          2HG2      ILE  21  16.289   0.721  -2.430
  148   3HG2  ILE  21          3HG2      ILE  21  17.305   0.967  -1.011
  149   1HD1  ILE  21          1HD1      ILE  21  16.500   1.181   1.607
  150   2HD1  ILE  21          2HD1      ILE  21  15.762   2.583   2.381
  151   3HD1  ILE  21          3HD1      ILE  21  16.989   2.808   1.133
  Start of MODEL   25
    1   1H    THR   3          1H        THR   3   8.727  -4.874   6.433
    2    HA   THR   3           HA       THR   3   8.142  -2.014   6.351
    3    HB   THR   3           HB       THR   3  10.789  -2.021   6.548
    4    HG1  THR   3           1HG      THR   3  11.178  -4.176   6.375
    5   1HG2  THR   3          1HG2      THR   3   9.069  -2.829   8.879
    6   2HG2  THR   3          2HG2      THR   3   9.277  -1.181   8.285
    7   3HG2  THR   3          3HG2      THR   3  10.652  -2.059   8.952
    8    H    ARG   4           H        ARG   4   7.503  -3.299   4.001
    9    HA   ARG   4           HA       ARG   4   9.296  -1.964   2.157
   10   1HB   ARG   4          2HB       ARG   4  10.429  -3.896   1.809
   11   2HB   ARG   4          1HB       ARG   4   9.125  -4.898   2.445
   12   1HG   ARG   4          2HG       ARG   4   8.596  -3.649  -0.173
   13   2HG   ARG   4          1HG       ARG   4   9.893  -4.843  -0.140
   14   1HD   ARG   4          2HD       ARG   4   8.176  -6.274   1.196
   15   2HD   ARG   4          1HD       ARG   4   6.986  -5.187   0.467
   16    HE   ARG   4           HE       ARG   4   8.447  -5.992  -1.654
   17   1HH1  ARG   4          1HH1      ARG   4   6.845  -7.730   0.915
   18   2HH1  ARG   4          2HH1      ARG   4   6.533  -9.129  -0.056
   19   1HH2  ARG   4          1HH2      ARG   4   8.035  -7.831  -2.933
   20   2HH2  ARG   4          2HH2      ARG   4   7.208  -9.187  -2.241
   21    H    LYS   5           H        LYS   5   8.076  -0.827   0.821
   22    HA   LYS   5           HA       LYS   5   6.230  -0.019  -0.248
   23   1HB   LYS   5          2HB       LYS   5   6.705  -2.755  -1.137
   24   2HB   LYS   5          1HB       LYS   5   5.036  -2.256  -1.369
   25   1HG   LYS   5          2HG       LYS   5   5.918  -0.205  -2.526
   26   2HG   LYS   5          1HG       LYS   5   7.517  -0.967  -2.475
   27   1HD   LYS   5          2HD       LYS   5   7.013  -2.398  -4.132
   28   2HD   LYS   5          1HD       LYS   5   5.391  -2.702  -3.505
   29   1HE   LYS   5          2HE       LYS   5   4.987  -1.658  -5.540
   30   2HE   LYS   5          1HE       LYS   5   4.848  -0.341  -4.376
   31   1HZ   LYS   5          1HZ       LYS   5   7.303   0.054  -4.899
   32   2HZ   LYS   5          2HZ       LYS   5   6.167   0.526  -6.059
   33   3HZ   LYS   5          3HZ       LYS   5   7.044  -0.906  -6.267
   34    H    SER   6           H        SER   6   4.930   0.697   1.413
   35    HA   SER   6           HA       SER   6   3.186  -1.097   2.837
   36   1HB   SER   6          2HB       SER   6   3.615   1.877   2.833
   37   2HB   SER   6          1HB       SER   6   2.220   1.178   3.655
   38    HG   SER   6           HG       SER   6   4.212   1.476   4.932
   39    H    ILE   7           H        ILE   7   2.085  -2.010   0.988
   40    HA   ILE   7           HA       ILE   7   0.126  -0.220  -0.271
   41    HB   ILE   7           HB       ILE   7   0.855  -3.026  -1.106
   42   1HG1  ILE   7          2HG1      ILE   7   2.804  -1.608  -1.357
   43   2HG1  ILE   7          1HG1      ILE   7   2.110  -1.912  -2.947
   44   1HG2  ILE   7          1HG2      ILE   7  -0.139  -1.876  -3.306
   45   2HG2  ILE   7          2HG2      ILE   7  -1.040  -0.979  -2.085
   46   3HG2  ILE   7          3HG2      ILE   7  -1.141  -2.738  -2.140
   47   1HD1  ILE   7          1HD1      ILE   7   2.766   0.381  -2.804
   48   2HD1  ILE   7          2HD1      ILE   7   1.852   0.596  -1.309
   49   3HD1  ILE   7          3HD1      ILE   7   1.004   0.300  -2.827
   50    H    HIS   8           H        HIS   8  -1.544  -0.113   1.146
   51    HA   HIS   8           HA       HIS   8  -2.827  -2.666   1.871
   52   1HB   HIS   8          2HB       HIS   8  -1.824  -0.800   3.631
   53   2HB   HIS   8          1HB       HIS   8  -3.526  -0.361   3.545
   54    HD1  HIS   8           1HD      HIS   8  -4.495  -1.285   5.636
   55    HD2  HIS   8           2HD      HIS   8  -2.023  -4.020   3.717
   56    HE1  HIS   8           1HE      HIS   8  -4.719  -3.424   6.941
   57    HE2  HIS   8           2HE      HIS   8  -3.148  -5.038   5.813
   58    H    ILE   9           H        ILE   9  -4.807  -2.962   1.091
   59    HA   ILE   9           HA       ILE   9  -6.471  -0.629   0.465
   60    HB   ILE   9           HB       ILE   9  -6.191  -2.959  -1.430
   61   1HG1  ILE   9          2HG1      ILE   9  -5.189  -0.879  -2.820
   62   2HG1  ILE   9          1HG1      ILE   9  -4.671  -0.421  -1.199
   63   1HG2  ILE   9          1HG2      ILE   9  -7.477  -0.260  -1.817
   64   2HG2  ILE   9          2HG2      ILE   9  -8.349  -1.742  -1.420
   65   3HG2  ILE   9          3HG2      ILE   9  -7.480  -1.611  -2.950
   66   1HD1  ILE   9          1HD1      ILE   9  -3.338  -2.095  -2.912
   67   2HD1  ILE   9          2HD1      ILE   9  -4.134  -3.210  -1.801
   68   3HD1  ILE   9          3HD1      ILE   9  -3.064  -1.955  -1.177
   69    H    GLY  10           H        GLY  10  -8.685  -0.957   0.639
   70   1HA   GLY  10          2HA       GLY  10  -9.517  -3.619   1.611
   71   2HA   GLY  10          1HA       GLY  10 -10.006  -2.149   2.441
   72    HA   PRO  11           HA       PRO  11 -13.061  -3.670  -0.988
   73   1HB   PRO  11          2HB       PRO  11 -14.806  -3.601   1.427
   74   2HB   PRO  11          1HB       PRO  11 -14.805  -4.736   0.073
   75   1HG   PRO  11          2HG       PRO  11 -13.791  -5.441   2.431
   76   2HG   PRO  11          1HG       PRO  11 -13.016  -5.948   0.918
   77   1HD   PRO  11          2HD       PRO  11 -12.200  -3.822   2.849
   78   2HD   PRO  11          1HD       PRO  11 -11.193  -4.919   1.881
   79    H    GLY  12           H        GLY  12 -13.168  -1.715  -2.003
   80   1HA   GLY  12          2HA       GLY  12 -14.120   0.306  -2.563
   81   2HA   GLY  12          1HA       GLY  12 -15.221   0.097  -1.208
   82    H    ARG  13           H        ARG  13 -11.677   0.389  -1.347
   83    HA   ARG  13           HA       ARG  13 -11.909   2.748   0.406
   84   1HB   ARG  13          2HB       ARG  13 -10.215   0.325   0.599
   85   2HB   ARG  13          1HB       ARG  13  -9.434   1.851   0.990
   86   1HG   ARG  13          2HG       ARG  13 -11.620   2.163   2.454
   87   2HG   ARG  13          1HG       ARG  13 -11.592   0.401   2.408
   88   1HD   ARG  13          2HD       ARG  13  -9.453   0.313   3.408
   89   2HD   ARG  13          1HD       ARG  13  -9.186   2.039   3.161
   90    HE   ARG  13           HE       ARG  13 -10.583   0.802   5.332
   91   1HH1  ARG  13          1HH1      ARG  13 -10.336   3.707   3.413
   92   2HH1  ARG  13          2HH1      ARG  13 -10.983   4.729   4.653
   93   1HH2  ARG  13          1HH2      ARG  13 -11.434   2.145   6.963
   94   2HH2  ARG  13          2HH2      ARG  13 -11.606   3.843   6.667
   95    H    ALA  14           H        ALA  14  -9.528   3.823   0.418
   96    HA   ALA  14           HA       ALA  14  -9.122   4.634  -2.351
   97   1HB   ALA  14          1HB       ALA  14  -7.480   5.959  -0.330
   98   2HB   ALA  14          2HB       ALA  14  -9.211   6.051  -0.004
   99   3HB   ALA  14          3HB       ALA  14  -8.569   6.645  -1.535
  100    H    PHE  15           H        PHE  15  -6.521   5.489  -2.335
  101    HA   PHE  15           HA       PHE  15  -5.018   2.969  -2.049
  102   1HB   PHE  15          2HB       PHE  15  -5.375   4.724  -4.309
  103   2HB   PHE  15          1HB       PHE  15  -3.669   4.627  -3.886
  104    HD1  PHE  15           1HD      PHE  15  -3.160   1.976  -3.094
  105    HD2  PHE  15           2HD      PHE  15  -5.874   3.352  -6.069
  106    HE1  PHE  15           1HE      PHE  15  -2.994  -0.193  -4.243
  107    HE2  PHE  15           2HE      PHE  15  -5.716   1.186  -7.224
  108    HZ   PHE  15           HZ       PHE  15  -4.273  -0.591  -6.311
  109    H    TYR  16           H        TYR  16  -3.778   3.118  -0.292
  110    HA   TYR  16           HA       TYR  16  -2.311   5.634   0.165
  111   1HB   TYR  16          2HB       TYR  16  -2.887   3.573   2.291
  112   2HB   TYR  16          1HB       TYR  16  -2.379   5.252   2.502
  113    HD1  TYR  16           1HD      TYR  16  -4.158   6.884   1.084
  114    HD2  TYR  16           2HD      TYR  16  -5.028   3.208   3.042
  115    HE1  TYR  16           1HE      TYR  16  -6.509   7.569   1.313
  116    HE2  TYR  16           2HE      TYR  16  -7.381   3.884   3.276
  117    HH   TYR  16           HH       TYR  16  -8.970   5.480   2.049
  118    H    THR  17           H        THR  17  -0.188   5.540  -0.118
  119    HA   THR  17           HA       THR  17   1.226   3.046   0.457
  120    HB   THR  17           HB       THR  17   2.351   2.952  -1.603
  121    HG1  THR  17           1HG      THR  17   2.382   4.630  -3.062
  122   1HG2  THR  17          1HG2      THR  17   0.657   3.031  -3.374
  123   2HG2  THR  17          2HG2      THR  17  -0.451   3.832  -2.258
  124   3HG2  THR  17          3HG2      THR  17   0.091   2.186  -1.934
  125    H    THR  18           H        THR  18   2.971   3.368   1.650
  126    HA   THR  18           HA       THR  18   4.190   6.051   1.637
  127    HB   THR  18           HB       THR  18   2.912   5.658   3.702
  128    HG1  THR  18           1HG      THR  18   4.415   6.648   4.770
  129   1HG2  THR  18          1HG2      THR  18   2.896   3.390   4.145
  130   2HG2  THR  18          2HG2      THR  18   4.017   4.025   5.349
  131   3HG2  THR  18          3HG2      THR  18   4.636   3.228   3.903
  132    H    GLY  19           H        GLY  19   6.383   5.680   3.132
  133   1HA   GLY  19          2HA       GLY  19   8.205   4.491   1.382
  134   2HA   GLY  19          1HA       GLY  19   8.549   4.931   3.047
  135    H    GLU  20           H        GLU  20   9.935   3.056   3.057
  136    HA   GLU  20           HA       GLU  20   8.483   0.511   3.264
  137   1HB   GLU  20          2HB       GLU  20  11.447   0.912   2.860
  138   2HB   GLU  20          1HB       GLU  20  10.562  -0.612   2.772
  139   1HG   GLU  20          2HG       GLU  20  10.004  -0.274   0.650
  140   2HG   GLU  20          1HG       GLU  20   9.486   1.381   0.969
  141    H    ILE  21           H        ILE  21  11.525   1.731   4.586
  142    HA   ILE  21           HA       ILE  21  10.927   0.456   7.133
  143    HB   ILE  21           HB       ILE  21  13.235   1.192   7.760
  144   1HG1  ILE  21          2HG1      ILE  21  13.614   1.882   4.855
  145   2HG1  ILE  21          1HG1      ILE  21  13.148   3.111   6.028
  146   1HG2  ILE  21          1HG2      ILE  21  12.887  -1.032   6.922
  147   2HG2  ILE  21          2HG2      ILE  21  14.382  -0.396   6.234
  148   3HG2  ILE  21          3HG2      ILE  21  12.916  -0.455   5.256
  149   1HD1  ILE  21          1HD1      ILE  21  15.165   2.909   7.197
  150   2HD1  ILE  21          2HD1      ILE  21  15.613   2.885   5.490
  151   3HD1  ILE  21          3HD1      ILE  21  15.565   1.382   6.412
  Start of MODEL   26
    1   1H    THR   3          1H        THR   3   9.499  -6.512   4.467
    2    HA   THR   3           HA       THR   3   8.920  -3.851   5.584
    3    HB   THR   3           HB       THR   3  11.439  -3.641   5.710
    4    HG1  THR   3           1HG      THR   3  11.827  -5.409   4.234
    5   1HG2  THR   3          1HG2      THR   3  10.140  -5.827   7.313
    6   2HG2  THR   3          2HG2      THR   3  10.271  -4.120   7.739
    7   3HG2  THR   3          3HG2      THR   3  11.719  -5.126   7.666
    8    H    ARG   4           H        ARG   4   8.153  -4.649   2.935
    9    HA   ARG   4           HA       ARG   4   9.673  -2.662   1.430
   10   1HB   ARG   4          2HB       ARG   4  10.177  -3.997  -0.347
   11   2HB   ARG   4          1HB       ARG   4  10.321  -5.151   0.979
   12   1HG   ARG   4          2HG       ARG   4   7.859  -4.829  -0.720
   13   2HG   ARG   4          1HG       ARG   4   9.141  -5.993  -1.013
   14   1HD   ARG   4          2HD       ARG   4   8.753  -6.990   1.189
   15   2HD   ARG   4          1HD       ARG   4   7.459  -5.821   1.480
   16    HE   ARG   4           HE       ARG   4   6.074  -7.073   0.150
   17   1HH1  ARG   4          1HH1      ARG   4   9.367  -8.122  -0.337
   18   2HH1  ARG   4          2HH1      ARG   4   8.921  -9.499  -1.286
   19   1HH2  ARG   4          1HH2      ARG   4   5.485  -8.884  -1.099
   20   2HH2  ARG   4          2HH2      ARG   4   6.716  -9.933  -1.718
   21    H    LYS   5           H        LYS   5   8.388  -1.203   0.530
   22    HA   LYS   5           HA       LYS   5   6.505  -0.128  -0.164
   23   1HB   LYS   5          2HB       LYS   5   6.622  -2.658  -1.547
   24   2HB   LYS   5          1HB       LYS   5   4.950  -2.167  -1.317
   25   1HG   LYS   5          2HG       LYS   5   7.077  -0.411  -2.527
   26   2HG   LYS   5          1HG       LYS   5   5.953  -1.415  -3.460
   27   1HD   LYS   5          2HD       LYS   5   4.079  -0.177  -2.688
   28   2HD   LYS   5          1HD       LYS   5   5.045   0.656  -1.468
   29   1HE   LYS   5          2HE       LYS   5   5.004   2.293  -3.044
   30   2HE   LYS   5          1HE       LYS   5   6.409   1.400  -3.626
   31   1HZ   LYS   5          1HZ       LYS   5   4.336   2.039  -5.159
   32   2HZ   LYS   5          2HZ       LYS   5   3.833   0.512  -4.633
   33   3HZ   LYS   5          3HZ       LYS   5   5.312   0.683  -5.438
   34    H    SER   6           H        SER   6   5.692   0.328   1.905
   35    HA   SER   6           HA       SER   6   3.927  -1.528   3.225
   36   1HB   SER   6          2HB       SER   6   3.929   1.310   4.069
   37   2HB   SER   6          1HB       SER   6   4.090  -0.156   5.035
   38    HG   SER   6           HG       SER   6   6.253  -0.306   4.279
   39    H    ILE   7           H        ILE   7   2.099  -1.910   2.074
   40    HA   ILE   7           HA       ILE   7   0.372   0.415   1.552
   41    HB   ILE   7           HB       ILE   7   0.539  -2.038  -0.204
   42   1HG1  ILE   7          2HG1      ILE   7   1.561   0.768  -0.701
   43   2HG1  ILE   7          1HG1      ILE   7   2.562  -0.648  -0.398
   44   1HG2  ILE   7          1HG2      ILE   7  -0.692   0.194  -1.464
   45   2HG2  ILE   7          2HG2      ILE   7  -1.462  -0.055   0.103
   46   3HG2  ILE   7          3HG2      ILE   7  -1.393  -1.374  -1.064
   47   1HD1  ILE   7          1HD1      ILE   7   1.913   0.298  -2.848
   48   2HD1  ILE   7          2HD1      ILE   7   0.677  -0.939  -2.620
   49   3HD1  ILE   7          3HD1      ILE   7   2.384  -1.368  -2.507
   50    H    HIS   8           H        HIS   8  -1.769   0.197   2.043
   51    HA   HIS   8           HA       HIS   8  -2.639  -2.395   3.135
   52   1HB   HIS   8          2HB       HIS   8  -2.290   0.061   4.559
   53   2HB   HIS   8          1HB       HIS   8  -4.009  -0.321   4.516
   54    HD1  HIS   8           1HD      HIS   8  -4.532  -1.339   6.707
   55    HD2  HIS   8           2HD      HIS   8  -0.966  -2.785   5.140
   56    HE1  HIS   8           1HE      HIS   8  -3.767  -3.121   8.308
   57    HE2  HIS   8           2HE      HIS   8  -1.656  -4.045   7.291
   58    H    ILE   9           H        ILE   9  -3.930  -2.999   1.459
   59    HA   ILE   9           HA       ILE   9  -6.326  -1.369   1.026
   60    HB   ILE   9           HB       ILE   9  -4.839  -2.653  -1.262
   61   1HG1  ILE   9          2HG1      ILE   9  -4.953   0.279  -0.523
   62   2HG1  ILE   9          1HG1      ILE   9  -3.558  -0.764  -0.270
   63   1HG2  ILE   9          1HG2      ILE   9  -6.965  -0.549  -1.439
   64   2HG2  ILE   9          2HG2      ILE   9  -7.377  -2.259  -1.312
   65   3HG2  ILE   9          3HG2      ILE   9  -6.417  -1.682  -2.673
   66   1HD1  ILE   9          1HD1      ILE   9  -2.911   0.066  -2.247
   67   2HD1  ILE   9          2HD1      ILE   9  -4.551   0.506  -2.719
   68   3HD1  ILE   9          3HD1      ILE   9  -3.997  -1.158  -2.900
   69    H    GLY  10           H        GLY  10  -8.091  -2.557   1.311
   70   1HA   GLY  10          2HA       GLY  10  -8.032  -5.395   0.549
   71   2HA   GLY  10          1HA       GLY  10  -8.531  -4.961   2.176
   72    HA   PRO  11           HA       PRO  11 -12.753  -4.430   1.091
   73   1HB   PRO  11          2HB       PRO  11 -12.569  -1.570   1.914
   74   2HB   PRO  11          1HB       PRO  11 -13.710  -2.816   2.428
   75   1HG   PRO  11          2HG       PRO  11 -11.726  -2.051   4.030
   76   2HG   PRO  11          1HG       PRO  11 -12.213  -3.754   3.931
   77   1HD   PRO  11          2HD       PRO  11  -9.832  -2.389   2.759
   78   2HD   PRO  11          1HD       PRO  11  -9.983  -4.032   3.418
   79    H    GLY  12           H        GLY  12 -10.452  -2.073  -0.067
   80   1HA   GLY  12          2HA       GLY  12 -10.232  -1.310  -2.260
   81   2HA   GLY  12          1HA       GLY  12 -11.796  -2.015  -2.638
   82    H    ARG  13           H        ARG  13 -10.197   0.729  -1.103
   83    HA   ARG  13           HA       ARG  13 -12.118   2.555  -2.141
   84   1HB   ARG  13          2HB       ARG  13 -12.931   1.369   0.200
   85   2HB   ARG  13          1HB       ARG  13 -12.151   2.835   0.781
   86   1HG   ARG  13          2HG       ARG  13 -14.029   3.922   0.349
   87   2HG   ARG  13          1HG       ARG  13 -13.734   3.651  -1.369
   88   1HD   ARG  13          2HD       ARG  13 -15.146   1.816  -1.453
   89   2HD   ARG  13          1HD       ARG  13 -15.032   1.524   0.281
   90    HE   ARG  13           HE       ARG  13 -16.916   3.193  -1.052
   91   1HH1  ARG  13          1HH1      ARG  13 -15.110   2.836   1.913
   92   2HH1  ARG  13          2HH1      ARG  13 -16.257   3.715   2.865
   93   1HH2  ARG  13          1HH2      ARG  13 -18.428   4.350   0.200
   94   2HH2  ARG  13          2HH2      ARG  13 -18.142   4.574   1.894
   95    H    ALA  14           H        ALA  14  -9.641   2.016   0.337
   96    HA   ALA  14           HA       ALA  14  -8.611   4.723  -0.154
   97   1HB   ALA  14          1HB       ALA  14  -7.911   4.811   1.991
   98   2HB   ALA  14          2HB       ALA  14  -7.446   3.110   2.022
   99   3HB   ALA  14          3HB       ALA  14  -9.139   3.565   2.215
  100    H    PHE  15           H        PHE  15  -6.482   5.078  -0.735
  101    HA   PHE  15           HA       PHE  15  -4.972   2.687  -1.569
  102   1HB   PHE  15          2HB       PHE  15  -6.003   4.500  -3.287
  103   2HB   PHE  15          1HB       PHE  15  -4.443   5.247  -2.964
  104    HD1  PHE  15           1HD      PHE  15  -2.636   3.009  -2.724
  105    HD2  PHE  15           2HD      PHE  15  -5.911   3.562  -5.384
  106    HE1  PHE  15           1HE      PHE  15  -1.575   1.488  -4.340
  107    HE2  PHE  15           2HE      PHE  15  -4.855   2.043  -7.006
  108    HZ   PHE  15           HZ       PHE  15  -2.684   1.005  -6.485
  109    H    TYR  16           H        TYR  16  -3.556   2.490   0.095
  110    HA   TYR  16           HA       TYR  16  -2.020   4.859   0.899
  111   1HB   TYR  16          2HB       TYR  16  -2.068   2.154   2.250
  112   2HB   TYR  16          1HB       TYR  16  -1.435   3.670   2.901
  113    HD1  TYR  16           1HD      TYR  16  -3.535   5.589   2.391
  114    HD2  TYR  16           2HD      TYR  16  -3.864   1.509   3.558
  115    HE1  TYR  16           1HE      TYR  16  -5.720   6.062   3.413
  116    HE2  TYR  16           2HE      TYR  16  -6.050   1.973   4.581
  117    HH   TYR  16           HH       TYR  16  -7.224   4.051   5.558
  118    H    THR  17           H        THR  17  -0.355   5.094  -0.477
  119    HA   THR  17           HA       THR  17   1.384   2.756  -0.928
  120    HB   THR  17           HB       THR  17   1.951   3.581  -3.079
  121    HG1  THR  17           1HG      THR  17   1.217   5.621  -3.798
  122   1HG2  THR  17          1HG2      THR  17  -0.828   4.434  -3.348
  123   2HG2  THR  17          2HG2      THR  17  -0.618   2.865  -2.567
  124   3HG2  THR  17          3HG2      THR  17   0.057   3.150  -4.172
  125    H    THR  18           H        THR  18   3.165   2.901   0.255
  126    HA   THR  18           HA       THR  18   4.570   5.473   0.373
  127    HB   THR  18           HB       THR  18   5.177   4.609   2.817
  128    HG1  THR  18           1HG      THR  18   3.345   3.666   3.766
  129   1HG2  THR  18          1HG2      THR  18   2.631   5.748   3.218
  130   2HG2  THR  18          2HG2      THR  18   3.337   6.518   1.796
  131   3HG2  THR  18          3HG2      THR  18   4.212   6.524   3.327
  132    H    GLY  19           H        GLY  19   6.854   5.178   1.210
  133   1HA   GLY  19          2HA       GLY  19   8.209   3.316  -0.400
  134   2HA   GLY  19          1HA       GLY  19   8.928   4.248   0.906
  135    H    GLU  20           H        GLU  20  10.229   2.496   1.532
  136    HA   GLU  20           HA       GLU  20   8.846   0.119   2.540
  137   1HB   GLU  20          2HB       GLU  20  11.830   0.537   2.408
  138   2HB   GLU  20          1HB       GLU  20  10.947  -0.988   2.530
  139   1HG   GLU  20          2HG       GLU  20  11.335  -1.111   0.332
  140   2HG   GLU  20          1HG       GLU  20   9.960  -0.016   0.208
  141    H    ILE  21           H        ILE  21  10.242  -0.800   4.546
  142    HA   ILE  21           HA       ILE  21  10.124   1.329   6.574
  143    HB   ILE  21           HB       ILE  21   9.923  -1.641   7.063
  144   1HG1  ILE  21          2HG1      ILE  21   7.681   0.385   6.877
  145   2HG1  ILE  21          1HG1      ILE  21   8.057  -0.813   5.643
  146   1HG2  ILE  21          1HG2      ILE  21   9.844   0.784   8.749
  147   2HG2  ILE  21          2HG2      ILE  21  10.411  -0.843   9.124
  148   3HG2  ILE  21          3HG2      ILE  21   8.682  -0.484   9.136
  149   1HD1  ILE  21          1HD1      ILE  21   7.800  -2.332   7.909
  150   2HD1  ILE  21          2HD1      ILE  21   6.563  -2.092   6.675
  151   3HD1  ILE  21          3HD1      ILE  21   6.572  -1.086   8.122
  Start of MODEL   27
    1   1H    THR   3          1H        THR   3  14.910  -1.491  -3.961
    2    HA   THR   3           HA       THR   3  13.269   0.279  -2.332
    3    HB   THR   3           HB       THR   3  12.341   0.796  -4.748
    4    HG1  THR   3           1HG      THR   3  13.571  -1.002  -5.636
    5   1HG2  THR   3          1HG2      THR   3  13.540   2.658  -4.648
    6   2HG2  THR   3          2HG2      THR   3  15.068   1.780  -4.717
    7   3HG2  THR   3          3HG2      THR   3  14.244   1.996  -3.174
    8    H    ARG   4           H        ARG   4  12.075  -1.385  -1.252
    9    HA   ARG   4           HA       ARG   4  10.285  -3.002  -2.879
   10   1HB   ARG   4          2HB       ARG   4   9.635  -4.051  -0.755
   11   2HB   ARG   4          1HB       ARG   4  11.379  -4.107  -1.026
   12   1HG   ARG   4          2HG       ARG   4  11.025  -1.765   0.374
   13   2HG   ARG   4          1HG       ARG   4   9.856  -2.864   1.103
   14   1HD   ARG   4          2HD       ARG   4  12.059  -4.458   0.865
   15   2HD   ARG   4          1HD       ARG   4  12.783  -2.880   1.199
   16    HE   ARG   4           HE       ARG   4  10.932  -2.999   3.105
   17   1HH1  ARG   4          1HH1      ARG   4  13.223  -5.414   2.042
   18   2HH1  ARG   4          2HH1      ARG   4  13.320  -6.179   3.592
   19   1HH2  ARG   4          1HH2      ARG   4  11.066  -4.006   5.142
   20   2HH2  ARG   4          2HH2      ARG   4  12.099  -5.382   5.349
   21    H    LYS   5           H        LYS   5   7.967  -3.130  -2.247
   22    HA   LYS   5           HA       LYS   5   6.949  -0.458  -1.533
   23   1HB   LYS   5          2HB       LYS   5   6.634  -1.404  -3.940
   24   2HB   LYS   5          1HB       LYS   5   5.397  -2.410  -3.200
   25   1HG   LYS   5          2HG       LYS   5   4.209  -0.430  -2.439
   26   2HG   LYS   5          1HG       LYS   5   5.471   0.602  -3.137
   27   1HD   LYS   5          2HD       LYS   5   3.679   0.561  -4.695
   28   2HD   LYS   5          1HD       LYS   5   4.951  -0.467  -5.359
   29   1HE   LYS   5          2HE       LYS   5   3.713  -2.345  -5.166
   30   2HE   LYS   5          1HE       LYS   5   2.980  -1.829  -3.648
   31   1HZ   LYS   5          1HZ       LYS   5   1.862  -0.115  -5.351
   32   2HZ   LYS   5          2HZ       LYS   5   1.172  -1.605  -4.940
   33   3HZ   LYS   5          3HZ       LYS   5   2.058  -1.452  -6.373
   34    H    SER   6           H        SER   6   4.796  -0.430  -0.536
   35    HA   SER   6           HA       SER   6   4.156  -2.886   0.943
   36   1HB   SER   6          2HB       SER   6   5.500  -1.000   2.218
   37   2HB   SER   6          1HB       SER   6   3.907  -0.252   2.338
   38    HG   SER   6           HG       SER   6   3.227  -2.381   3.183
   39    H    ILE   7           H        ILE   7   2.114  -3.439   0.616
   40    HA   ILE   7           HA       ILE   7   0.113  -1.316   0.229
   41    HB   ILE   7           HB       ILE   7   0.125  -3.943  -1.253
   42   1HG1  ILE   7          2HG1      ILE   7   1.954  -2.477  -2.008
   43   2HG1  ILE   7          1HG1      ILE   7   0.709  -2.642  -3.242
   44   1HG2  ILE   7          1HG2      ILE   7  -1.788  -1.717  -0.990
   45   2HG2  ILE   7          2HG2      ILE   7  -2.068  -3.423  -1.342
   46   3HG2  ILE   7          3HG2      ILE   7  -1.539  -2.332  -2.625
   47   1HD1  ILE   7          1HD1      ILE   7   1.649  -0.335  -2.905
   48   2HD1  ILE   7          2HD1      ILE   7   0.817  -0.317  -1.350
   49   3HD1  ILE   7          3HD1      ILE   7  -0.108  -0.469  -2.841
   50    H    HIS   8           H        HIS   8  -1.416  -1.388   1.713
   51    HA   HIS   8           HA       HIS   8  -2.496  -3.939   2.590
   52   1HB   HIS   8          2HB       HIS   8  -0.517  -3.109   4.109
   53   2HB   HIS   8          1HB       HIS   8  -1.733  -2.013   4.751
   54    HD1  HIS   8           1HD      HIS   8  -0.483  -4.187   6.529
   55    HD2  HIS   8           2HD      HIS   8  -4.024  -4.662   4.408
   56    HE1  HIS   8           1HE      HIS   8  -1.744  -6.006   7.724
   57    HE2  HIS   8           2HE      HIS   8  -3.844  -6.334   6.372
   58    H    ILE   9           H        ILE   9  -4.352  -3.186   1.475
   59    HA   ILE   9           HA       ILE   9  -5.866  -1.158   2.982
   60    HB   ILE   9           HB       ILE   9  -6.981  -0.551   0.804
   61   1HG1  ILE   9          2HG1      ILE   9  -4.565  -1.615  -0.599
   62   2HG1  ILE   9          1HG1      ILE   9  -5.897  -2.716  -0.258
   63   1HG2  ILE   9          1HG2      ILE   9  -4.269   0.136   1.681
   64   2HG2  ILE   9          2HG2      ILE   9  -5.645   1.176   1.318
   65   3HG2  ILE   9          3HG2      ILE   9  -4.635   0.564   0.010
   66   1HD1  ILE   9          1HD1      ILE   9  -7.343  -0.856  -1.366
   67   2HD1  ILE   9          2HD1      ILE   9  -6.423  -1.983  -2.362
   68   3HD1  ILE   9          3HD1      ILE   9  -5.805  -0.358  -2.070
   69    H    GLY  10           H        GLY  10  -8.296  -1.293   2.098
   70   1HA   GLY  10          2HA       GLY  10  -9.071  -4.111   1.812
   71   2HA   GLY  10          1HA       GLY  10  -9.711  -3.197   3.169
   72    HA   PRO  11           HA       PRO  11 -12.514  -2.739  -0.579
   73   1HB   PRO  11          2HB       PRO  11 -14.774  -3.679   0.591
   74   2HB   PRO  11          1HB       PRO  11 -13.615  -4.728  -0.233
   75   1HG   PRO  11          2HG       PRO  11 -13.936  -4.188   2.695
   76   2HG   PRO  11          1HG       PRO  11 -13.653  -5.731   1.866
   77   1HD   PRO  11          2HD       PRO  11 -11.674  -4.350   3.096
   78   2HD   PRO  11          1HD       PRO  11 -11.391  -5.347   1.655
   79    H    GLY  12           H        GLY  12 -12.528  -0.520  -0.456
   80   1HA   GLY  12          2HA       GLY  12 -14.765   0.722   0.751
   81   2HA   GLY  12          1HA       GLY  12 -13.329   1.042   1.711
   82    H    ARG  13           H        ARG  13 -11.970   2.624   1.089
   83    HA   ARG  13           HA       ARG  13 -11.732   3.515  -1.608
   84   1HB   ARG  13          2HB       ARG  13 -13.934   4.540  -0.365
   85   2HB   ARG  13          1HB       ARG  13 -12.731   5.763   0.012
   86   1HG   ARG  13          2HG       ARG  13 -13.542   6.578  -1.954
   87   2HG   ARG  13          1HG       ARG  13 -12.215   5.585  -2.558
   88   1HD   ARG  13          2HD       ARG  13 -14.194   5.185  -3.884
   89   2HD   ARG  13          1HD       ARG  13 -13.810   3.745  -2.943
   90    HE   ARG  13           HE       ARG  13 -15.784   3.998  -1.805
   91   1HH1  ARG  13          1HH1      ARG  13 -15.095   6.937  -3.557
   92   2HH1  ARG  13          2HH1      ARG  13 -16.643   7.640  -3.234
   93   1HH2  ARG  13          1HH2      ARG  13 -17.821   4.924  -1.379
   94   2HH2  ARG  13          2HH2      ARG  13 -18.190   6.499  -1.996
   95    H    ALA  14           H        ALA  14 -10.046   2.665   0.589
   96    HA   ALA  14           HA       ALA  14  -8.489   5.120   1.069
   97   1HB   ALA  14          1HB       ALA  14  -9.412   3.421   2.945
   98   2HB   ALA  14          2HB       ALA  14  -7.952   4.392   3.134
   99   3HB   ALA  14          3HB       ALA  14  -7.830   2.707   2.626
  100    H    PHE  15           H        PHE  15  -6.099   4.783   1.167
  101    HA   PHE  15           HA       PHE  15  -5.076   2.557  -0.394
  102   1HB   PHE  15          2HB       PHE  15  -5.288   5.337  -1.412
  103   2HB   PHE  15          1HB       PHE  15  -3.772   4.498  -1.725
  104    HD1  PHE  15           1HD      PHE  15  -4.445   1.818  -2.319
  105    HD2  PHE  15           2HD      PHE  15  -6.604   5.354  -3.285
  106    HE1  PHE  15           1HE      PHE  15  -5.476   0.661  -4.230
  107    HE2  PHE  15           2HE      PHE  15  -7.639   4.206  -5.197
  108    HZ   PHE  15           HZ       PHE  15  -7.076   1.856  -5.673
  109    H    TYR  16           H        TYR  16  -3.200   1.908   0.422
  110    HA   TYR  16           HA       TYR  16  -1.550   3.852   1.892
  111   1HB   TYR  16          2HB       TYR  16  -2.243   1.019   2.684
  112   2HB   TYR  16          1HB       TYR  16  -0.938   1.946   3.431
  113    HD1  TYR  16           1HD      TYR  16  -4.608   1.987   2.816
  114    HD2  TYR  16           2HD      TYR  16  -1.386   3.404   5.207
  115    HE1  TYR  16           1HE      TYR  16  -6.218   2.977   4.387
  116    HE2  TYR  16           2HE      TYR  16  -2.988   4.397   6.785
  117    HH   TYR  16           HH       TYR  16  -6.320   3.687   6.717
  118    H    THR  17           H        THR  17  -0.146   4.132   0.161
  119    HA   THR  17           HA       THR  17   1.585   1.820  -0.393
  120    HB   THR  17           HB       THR  17   1.691   2.282  -2.693
  121    HG1  THR  17           1HG      THR  17   0.292   4.704  -2.241
  122   1HG2  THR  17          1HG2      THR  17  -0.347   1.673  -3.341
  123   2HG2  THR  17          2HG2      THR  17  -1.098   3.112  -2.656
  124   3HG2  THR  17          3HG2      THR  17  -0.762   1.718  -1.628
  125    H    THR  18           H        THR  18   3.512   2.231   0.422
  126    HA   THR  18           HA       THR  18   4.698   4.876  -0.034
  127    HB   THR  18           HB       THR  18   3.935   4.992   2.234
  128    HG1  THR  18           1HG      THR  18   6.678   4.293   2.320
  129   1HG2  THR  18          1HG2      THR  18   3.598   2.647   2.731
  130   2HG2  THR  18          2HG2      THR  18   4.615   3.404   3.957
  131   3HG2  THR  18          3HG2      THR  18   5.341   2.378   2.719
  132    H    GLY  19           H        GLY  19   6.878   4.879  -0.445
  133   1HA   GLY  19          2HA       GLY  19   8.024   2.425  -1.337
  134   2HA   GLY  19          1HA       GLY  19   8.826   3.987  -1.287
  135    H    GLU  20           H        GLU  20   9.998   1.460  -0.630
  136    HA   GLU  20           HA       GLU  20  10.773   2.051   2.135
  137   1HB   GLU  20          2HB       GLU  20   9.464  -0.379   1.159
  138   2HB   GLU  20          1HB       GLU  20  10.969  -0.702   2.022
  139   1HG   GLU  20          2HG       GLU  20   8.610   0.851   3.071
  140   2HG   GLU  20          1HG       GLU  20   9.072  -0.789   3.523
  141    H    ILE  21           H        ILE  21  12.908   2.131   2.401
  142    HA   ILE  21           HA       ILE  21  14.608   1.000   0.276
  143    HB   ILE  21           HB       ILE  21  14.730   3.444   0.428
  144   1HG1  ILE  21          2HG1      ILE  21  17.334   2.506   1.563
  145   2HG1  ILE  21          1HG1      ILE  21  16.774   1.815   0.043
  146   1HG2  ILE  21          1HG2      ILE  21  14.966   2.857   3.275
  147   2HG2  ILE  21          2HG2      ILE  21  14.431   4.325   2.459
  148   3HG2  ILE  21          3HG2      ILE  21  16.152   4.027   2.698
  149   1HD1  ILE  21          1HD1      ILE  21  16.986   3.798  -1.090
  150   2HD1  ILE  21          2HD1      ILE  21  18.330   3.892   0.047
  151   3HD1  ILE  21          3HD1      ILE  21  16.837   4.774   0.372
  Start of MODEL   28
    1   1H    THR   3          1H        THR   3   9.239  -6.930   2.729
    2    HA   THR   3           HA       THR   3   9.167  -4.283   3.952
    3    HB   THR   3           HB       THR   3  11.472  -4.602   4.464
    4    HG1  THR   3           1HG      THR   3  12.571  -5.470   2.900
    5   1HG2  THR   3          1HG2      THR   3  11.491  -6.470   5.814
    6   2HG2  THR   3          2HG2      THR   3  10.510  -7.416   4.695
    7   3HG2  THR   3          3HG2      THR   3   9.769  -6.131   5.648
    8    H    ARG   4           H        ARG   4   8.199  -4.114   1.449
    9    HA   ARG   4           HA       ARG   4  10.301  -2.619   0.073
   10   1HB   ARG   4          2HB       ARG   4   9.199  -3.541  -2.118
   11   2HB   ARG   4          1HB       ARG   4  10.430  -4.482  -1.276
   12   1HG   ARG   4          2HG       ARG   4   8.857  -6.088  -1.691
   13   2HG   ARG   4          1HG       ARG   4   8.363  -5.559  -0.083
   14   1HD   ARG   4          2HD       ARG   4   6.399  -4.807  -0.826
   15   2HD   ARG   4          1HD       ARG   4   7.150  -3.970  -2.192
   16    HE   ARG   4           HE       ARG   4   5.914  -6.568  -2.210
   17   1HH1  ARG   4          1HH1      ARG   4   8.231  -4.491  -3.792
   18   2HH1  ARG   4          2HH1      ARG   4   8.115  -5.313  -5.311
   19   1HH2  ARG   4          1HH2      ARG   4   5.760  -7.649  -4.208
   20   2HH2  ARG   4          2HH2      ARG   4   6.712  -7.105  -5.549
   21    H    LYS   5           H        LYS   5   6.852  -3.340   0.367
   22    HA   LYS   5           HA       LYS   5   6.250  -0.528   0.021
   23   1HB   LYS   5          2HB       LYS   5   6.159  -2.023  -2.232
   24   2HB   LYS   5          1HB       LYS   5   4.526  -2.278  -1.629
   25   1HG   LYS   5          2HG       LYS   5   4.417   0.280  -1.420
   26   2HG   LYS   5          1HG       LYS   5   5.843   0.275  -2.474
   27   1HD   LYS   5          2HD       LYS   5   3.206  -1.050  -3.113
   28   2HD   LYS   5          1HD       LYS   5   3.722   0.525  -3.721
   29   1HE   LYS   5          2HE       LYS   5   5.210  -0.374  -5.181
   30   2HE   LYS   5          1HE       LYS   5   5.586  -1.734  -4.125
   31   1HZ   LYS   5          1HZ       LYS   5   4.390  -2.857  -5.642
   32   2HZ   LYS   5          2HZ       LYS   5   3.549  -1.491  -6.177
   33   3HZ   LYS   5          3HZ       LYS   5   3.062  -2.282  -4.763
   34    H    SER   6           H        SER   6   5.541  -0.576   2.153
   35    HA   SER   6           HA       SER   6   3.596  -2.481   3.054
   36   1HB   SER   6          2HB       SER   6   5.377  -0.872   4.340
   37   2HB   SER   6          1HB       SER   6   3.882   0.036   4.573
   38    HG   SER   6           HG       SER   6   2.961  -1.909   5.411
   39    H    ILE   7           H        ILE   7   1.615  -2.434   2.198
   40    HA   ILE   7           HA       ILE   7   0.166   0.117   2.239
   41    HB   ILE   7           HB       ILE   7  -0.043  -1.856  -0.034
   42   1HG1  ILE   7          2HG1      ILE   7   1.366   0.822   0.066
   43   2HG1  ILE   7          1HG1      ILE   7   2.149  -0.750  -0.054
   44   1HG2  ILE   7          1HG2      ILE   7  -1.003   0.651  -0.796
   45   2HG2  ILE   7          2HG2      ILE   7  -1.642   0.382   0.827
   46   3HG2  ILE   7          3HG2      ILE   7  -1.951  -0.795  -0.449
   47   1HD1  ILE   7          1HD1      ILE   7   0.280   0.400  -2.110
   48   2HD1  ILE   7          2HD1      ILE   7   1.190  -1.104  -2.235
   49   3HD1  ILE   7          3HD1      ILE   7   2.040   0.440  -2.198
   50    H    HIS   8           H        HIS   8  -1.990  -0.005   2.748
   51    HA   HIS   8           HA       HIS   8  -3.099  -2.678   3.267
   52   1HB   HIS   8          2HB       HIS   8  -3.446  -0.328   5.135
   53   2HB   HIS   8          1HB       HIS   8  -3.978  -1.985   5.396
   54    HD1  HIS   8           1HD      HIS   8  -1.747  -0.010   6.928
   55    HD2  HIS   8           2HD      HIS   8  -1.184  -3.557   4.838
   56    HE1  HIS   8           1HE      HIS   8   0.421  -0.957   7.781
   57    HE2  HIS   8           2HE      HIS   8   0.778  -3.064   6.447
   58    H    ILE   9           H        ILE   9  -4.336  -2.499   1.376
   59    HA   ILE   9           HA       ILE   9  -6.590  -0.616   1.601
   60    HB   ILE   9           HB       ILE   9  -6.645  -0.690  -0.957
   61   1HG1  ILE   9          2HG1      ILE   9  -3.786  -1.570  -0.482
   62   2HG1  ILE   9          1HG1      ILE   9  -5.046  -2.516  -1.269
   63   1HG2  ILE   9          1HG2      ILE   9  -4.249   0.743   0.145
   64   2HG2  ILE   9          2HG2      ILE   9  -5.892   1.208   0.586
   65   3HG2  ILE   9          3HG2      ILE   9  -5.380   1.272  -1.101
   66   1HD1  ILE   9          1HD1      ILE   9  -5.090  -1.047  -3.134
   67   2HD1  ILE   9          2HD1      ILE   9  -3.403  -1.444  -2.806
   68   3HD1  ILE   9          3HD1      ILE   9  -4.053   0.119  -2.313
   69    H    GLY  10           H        GLY  10  -8.132  -1.998   2.325
   70   1HA   GLY  10          2HA       GLY  10  -8.940  -4.116   0.470
   71   2HA   GLY  10          1HA       GLY  10  -8.642  -4.562   2.143
   72    HA   PRO  11           HA       PRO  11 -12.922  -3.865   3.013
   73   1HB   PRO  11          2HB       PRO  11 -11.961  -2.772   5.608
   74   2HB   PRO  11          1HB       PRO  11 -13.133  -4.055   5.293
   75   1HG   PRO  11          2HG       PRO  11 -10.679  -4.634   6.153
   76   2HG   PRO  11          1HG       PRO  11 -11.489  -5.654   4.948
   77   1HD   PRO  11          2HD       PRO  11  -9.318  -3.635   4.578
   78   2HD   PRO  11          1HD       PRO  11  -9.564  -5.193   3.763
   79    H    GLY  12           H        GLY  12 -13.069  -2.111   1.466
   80   1HA   GLY  12          2HA       GLY  12 -14.331   0.089   1.966
   81   2HA   GLY  12          1HA       GLY  12 -12.776   0.578   2.618
   82    H    ARG  13           H        ARG  13 -11.727   1.871   1.275
   83    HA   ARG  13           HA       ARG  13 -11.003   1.139  -1.338
   84   1HB   ARG  13          2HB       ARG  13 -13.488   1.737  -1.601
   85   2HB   ARG  13          1HB       ARG  13 -12.989   3.402  -1.337
   86   1HG   ARG  13          2HG       ARG  13 -11.624   3.379  -3.294
   87   2HG   ARG  13          1HG       ARG  13 -11.860   1.643  -3.501
   88   1HD   ARG  13          2HD       ARG  13 -14.350   2.185  -3.678
   89   2HD   ARG  13          1HD       ARG  13 -13.848   3.862  -3.876
   90    HE   ARG  13           HE       ARG  13 -12.379   2.564  -5.736
   91   1HH1  ARG  13          1HH1      ARG  13 -15.792   2.603  -4.998
   92   2HH1  ARG  13          2HH1      ARG  13 -16.275   2.305  -6.633
   93   1HH2  ARG  13          1HH2      ARG  13 -13.016   2.171  -7.888
   94   2HH2  ARG  13          2HH2      ARG  13 -14.700   2.058  -8.274
   95    H    ALA  14           H        ALA  14  -9.442   1.935   0.639
   96    HA   ALA  14           HA       ALA  14  -8.870   4.786   0.250
   97   1HB   ALA  14          1HB       ALA  14  -9.099   3.948   2.565
   98   2HB   ALA  14          2HB       ALA  14  -7.515   4.652   2.240
   99   3HB   ALA  14          3HB       ALA  14  -7.709   2.900   2.295
  100    H    PHE  15           H        PHE  15  -6.279   5.061   0.657
  101    HA   PHE  15           HA       PHE  15  -4.797   3.174  -0.990
  102   1HB   PHE  15          2HB       PHE  15  -5.902   5.300  -2.259
  103   2HB   PHE  15          1HB       PHE  15  -4.361   5.995  -1.763
  104    HD1  PHE  15           1HD      PHE  15  -2.553   3.703  -2.001
  105    HD2  PHE  15           2HD      PHE  15  -5.722   4.975  -4.540
  106    HE1  PHE  15           1HE      PHE  15  -1.449   2.622  -3.915
  107    HE2  PHE  15           2HE      PHE  15  -4.624   3.895  -6.460
  108    HZ   PHE  15           HZ       PHE  15  -2.483   2.716  -6.147
  109    H    TYR  16           H        TYR  16  -3.756   2.777   1.035
  110    HA   TYR  16           HA       TYR  16  -2.127   4.959   2.105
  111   1HB   TYR  16          2HB       TYR  16  -2.423   2.157   3.203
  112   2HB   TYR  16          1HB       TYR  16  -1.767   3.571   4.035
  113    HD1  TYR  16           1HD      TYR  16  -3.806   5.610   3.327
  114    HD2  TYR  16           2HD      TYR  16  -4.258   1.551   4.518
  115    HE1  TYR  16           1HE      TYR  16  -6.041   6.126   4.212
  116    HE2  TYR  16           2HE      TYR  16  -6.494   2.056   5.407
  117    HH   TYR  16           HH       TYR  16  -7.638   5.261   5.800
  118    H    THR  17           H        THR  17  -0.488   5.163   0.614
  119    HA   THR  17           HA       THR  17   1.186   2.795   0.135
  120    HB   THR  17           HB       THR  17   2.091   3.984  -1.785
  121    HG1  THR  17           1HG      THR  17   1.938   6.103  -0.951
  122   1HG2  THR  17          1HG2      THR  17  -0.638   3.241  -1.569
  123   2HG2  THR  17          2HG2      THR  17   0.405   3.236  -2.993
  124   3HG2  THR  17          3HG2      THR  17  -0.524   4.679  -2.584
  125    H    THR  18           H        THR  18   3.116   2.653   1.066
  126    HA   THR  18           HA       THR  18   4.554   5.076   1.822
  127    HB   THR  18           HB       THR  18   3.248   4.464   3.812
  128    HG1  THR  18           1HG      THR  18   5.032   4.315   5.235
  129   1HG2  THR  18          1HG2      THR  18   4.356   2.293   4.944
  130   2HG2  THR  18          2HG2      THR  18   4.320   1.788   3.254
  131   3HG2  THR  18          3HG2      THR  18   2.831   2.276   4.062
  132    H    GLY  19           H        GLY  19   6.814   4.716   2.253
  133   1HA   GLY  19          2HA       GLY  19   8.056   2.988   0.451
  134   2HA   GLY  19          1HA       GLY  19   8.858   3.776   1.801
  135    H    GLU  20           H        GLU  20  10.116   1.732   1.737
  136    HA   GLU  20           HA       GLU  20   8.834  -0.688   2.596
  137   1HB   GLU  20          2HB       GLU  20  11.785  -0.282   2.864
  138   2HB   GLU  20          1HB       GLU  20  10.891  -1.717   2.358
  139   1HG   GLU  20          2HG       GLU  20  11.641  -1.161   0.324
  140   2HG   GLU  20          1HG       GLU  20  10.290  -0.028   0.342
  141    H    ILE  21           H        ILE  21   9.974  -1.849   4.556
  142    HA   ILE  21           HA       ILE  21   9.479  -0.137   6.856
  143    HB   ILE  21           HB       ILE  21   8.426  -2.357   6.771
  144   1HG1  ILE  21          2HG1      ILE  21  10.489  -2.207   8.976
  145   2HG1  ILE  21          1HG1      ILE  21   9.017  -1.241   8.940
  146   1HG2  ILE  21          1HG2      ILE  21  10.777  -3.240   5.744
  147   2HG2  ILE  21          2HG2      ILE  21   9.514  -4.283   6.399
  148   3HG2  ILE  21          3HG2      ILE  21  10.886  -3.820   7.406
  149   1HD1  ILE  21          1HD1      ILE  21   9.338  -3.743  10.073
  150   2HD1  ILE  21          2HD1      ILE  21   8.448  -4.049   8.581
  151   3HD1  ILE  21          3HD1      ILE  21   7.816  -2.908   9.768
  Start of MODEL   29
    1   1H    THR   3          1H        THR   3  14.742  -1.932  -1.330
    2    HA   THR   3           HA       THR   3  12.897  -0.915   0.733
    3    HB   THR   3           HB       THR   3  12.612   1.051  -0.893
    4    HG1  THR   3           1HG      THR   3  15.074   0.018  -1.845
    5   1HG2  THR   3          1HG2      THR   3  14.272   0.774   1.238
    6   2HG2  THR   3          2HG2      THR   3  14.008   2.271   0.345
    7   3HG2  THR   3          3HG2      THR   3  15.395   1.252  -0.035
    8    H    ARG   4           H        ARG   4  11.383  -2.552   0.408
    9    HA   ARG   4           HA       ARG   4  10.291  -2.946  -2.256
   10   1HB   ARG   4          2HB       ARG   4   9.097  -4.798  -1.352
   11   2HB   ARG   4          1HB       ARG   4  10.742  -4.858  -0.713
   12   1HG   ARG   4          2HG       ARG   4   9.137  -3.349   1.078
   13   2HG   ARG   4          1HG       ARG   4   8.298  -4.848   0.692
   14   1HD   ARG   4          2HD       ARG   4  10.854  -5.724   1.067
   15   2HD   ARG   4          1HD       ARG   4  10.754  -4.395   2.230
   16    HE   ARG   4           HE       ARG   4   8.485  -5.808   2.683
   17   1HH1  ARG   4          1HH1      ARG   4  11.864  -6.674   2.536
   18   2HH1  ARG   4          2HH1      ARG   4  11.707  -7.975   3.670
   19   1HH2  ARG   4          1HH2      ARG   4   8.279  -7.518   4.173
   20   2HH2  ARG   4          2HH2      ARG   4   9.672  -8.454   4.598
   21    H    LYS   5           H        LYS   5   7.987  -2.843  -2.658
   22    HA   LYS   5           HA       LYS   5   6.871  -0.390  -1.750
   23   1HB   LYS   5          2HB       LYS   5   6.493  -2.044  -3.928
   24   2HB   LYS   5          1HB       LYS   5   4.993  -2.232  -3.029
   25   1HG   LYS   5          2HG       LYS   5   5.268   0.454  -2.963
   26   2HG   LYS   5          1HG       LYS   5   6.037   0.078  -4.515
   27   1HD   LYS   5          2HD       LYS   5   4.054  -1.089  -5.257
   28   2HD   LYS   5          1HD       LYS   5   3.293  -0.865  -3.680
   29   1HE   LYS   5          2HE       LYS   5   2.532   1.137  -4.276
   30   2HE   LYS   5          1HE       LYS   5   4.153   1.668  -4.716
   31   1HZ   LYS   5          1HZ       LYS   5   2.006   0.680  -6.402
   32   2HZ   LYS   5          2HZ       LYS   5   3.556   0.138  -6.803
   33   3HZ   LYS   5          3HZ       LYS   5   3.231   1.797  -6.747
   34    H    SER   6           H        SER   6   4.635  -0.216  -0.875
   35    HA   SER   6           HA       SER   6   3.887  -2.415   0.910
   36   1HB   SER   6          2HB       SER   6   5.285  -0.228   1.858
   37   2HB   SER   6          1HB       SER   6   3.607   0.205   2.190
   38    HG   SER   6           HG       SER   6   3.488  -2.015   3.110
   39    H    ILE   7           H        ILE   7   2.133  -2.736  -0.517
   40    HA   ILE   7           HA       ILE   7   0.210  -0.580  -0.860
   41    HB   ILE   7           HB       ILE   7   0.086  -3.430  -1.846
   42   1HG1  ILE   7          2HG1      ILE   7   2.014  -2.041  -2.696
   43   2HG1  ILE   7          1HG1      ILE   7   0.921  -2.633  -3.941
   44   1HG2  ILE   7          1HG2      ILE   7  -2.110  -2.638  -1.865
   45   2HG2  ILE   7          2HG2      ILE   7  -1.536  -2.336  -3.503
   46   3HG2  ILE   7          3HG2      ILE   7  -1.620  -1.012  -2.340
   47   1HD1  ILE   7          1HD1      ILE   7  -0.213  -0.309  -3.660
   48   2HD1  ILE   7          2HD1      ILE   7   1.275  -0.462  -4.594
   49   3HD1  ILE   7          3HD1      ILE   7   1.330   0.141  -2.938
   50    H    HIS   8           H        HIS   8  -0.963  -0.195   0.928
   51    HA   HIS   8           HA       HIS   8  -2.161  -2.496   2.321
   52   1HB   HIS   8          2HB       HIS   8  -0.708  -1.051   3.711
   53   2HB   HIS   8          1HB       HIS   8  -1.745   0.323   3.343
   54    HD1  HIS   8           1HD      HIS   8  -1.130  -1.658   6.066
   55    HD2  HIS   8           2HD      HIS   8  -4.649  -0.759   4.049
   56    HE1  HIS   8           1HE      HIS   8  -2.978  -2.094   7.714
   57    HE2  HIS   8           2HE      HIS   8  -5.087  -1.420   6.512
   58    H    ILE   9           H        ILE   9  -3.901  -2.710   0.869
   59    HA   ILE   9           HA       ILE   9  -6.020  -0.738   1.306
   60    HB   ILE   9           HB       ILE   9  -5.485  -1.855  -1.441
   61   1HG1  ILE   9          2HG1      ILE   9  -4.832   0.930  -0.466
   62   2HG1  ILE   9          1HG1      ILE   9  -3.635  -0.351  -0.634
   63   1HG2  ILE   9          1HG2      ILE   9  -7.774  -0.861  -0.463
   64   2HG2  ILE   9          2HG2      ILE   9  -7.286  -0.688  -2.149
   65   3HG2  ILE   9          3HG2      ILE   9  -7.013   0.631  -1.011
   66   1HD1  ILE   9          1HD1      ILE   9  -4.040  -0.456  -3.012
   67   2HD1  ILE   9          2HD1      ILE   9  -3.642   1.194  -2.535
   68   3HD1  ILE   9          3HD1      ILE   9  -5.315   0.754  -2.871
   69    H    GLY  10           H        GLY  10  -8.064  -1.587   1.413
   70   1HA   GLY  10          2HA       GLY  10  -8.203  -4.525   1.390
   71   2HA   GLY  10          1HA       GLY  10  -9.283  -3.459   2.274
   72    HA   PRO  11           HA       PRO  11 -12.123  -4.688  -1.014
   73   1HB   PRO  11          2HB       PRO  11 -13.635  -2.429   0.211
   74   2HB   PRO  11          1HB       PRO  11 -14.183  -4.057  -0.203
   75   1HG   PRO  11          2HG       PRO  11 -13.696  -3.396   2.328
   76   2HG   PRO  11          1HG       PRO  11 -13.258  -4.998   1.705
   77   1HD   PRO  11          2HD       PRO  11 -11.516  -2.646   2.292
   78   2HD   PRO  11          1HD       PRO  11 -11.178  -4.379   2.481
   79    H    GLY  12           H        GLY  12 -10.892  -1.495  -0.322
   80   1HA   GLY  12          2HA       GLY  12  -9.934  -0.357  -2.311
   81   2HA   GLY  12          1HA       GLY  12 -11.446  -0.730  -3.123
   82    H    ARG  13           H        ARG  13  -9.911   1.244  -0.669
   83    HA   ARG  13           HA       ARG  13 -11.807   3.359  -1.155
   84   1HB   ARG  13          2HB       ARG  13 -11.929   1.695   1.279
   85   2HB   ARG  13          1HB       ARG  13 -11.955   3.432   1.557
   86   1HG   ARG  13          2HG       ARG  13 -14.097   3.507   1.025
   87   2HG   ARG  13          1HG       ARG  13 -13.750   2.833  -0.567
   88   1HD   ARG  13          2HD       ARG  13 -15.254   1.309   0.338
   89   2HD   ARG  13          1HD       ARG  13 -13.686   0.564   0.651
   90    HE   ARG  13           HE       ARG  13 -14.571   2.193   2.825
   91   1HH1  ARG  13          1HH1      ARG  13 -14.903  -0.952   1.350
   92   2HH1  ARG  13          2HH1      ARG  13 -15.367  -1.733   2.824
   93   1HH2  ARG  13          1HH2      ARG  13 -15.181   1.169   4.765
   94   2HH2  ARG  13          2HH2      ARG  13 -15.526  -0.528   4.762
   95    H    ALA  14           H        ALA  14  -9.277   2.243   1.089
   96    HA   ALA  14           HA       ALA  14  -8.167   4.949   1.152
   97   1HB   ALA  14          1HB       ALA  14  -7.317   4.472   3.187
   98   2HB   ALA  14          2HB       ALA  14  -6.881   2.823   2.738
   99   3HB   ALA  14          3HB       ALA  14  -8.547   3.207   3.169
  100    H    PHE  15           H        PHE  15  -6.564   5.480  -0.166
  101    HA   PHE  15           HA       PHE  15  -4.900   3.334  -1.297
  102   1HB   PHE  15          2HB       PHE  15  -5.936   5.906  -2.382
  103   2HB   PHE  15          1HB       PHE  15  -4.353   5.370  -2.933
  104    HD1  PHE  15           1HD      PHE  15  -4.295   2.786  -3.611
  105    HD2  PHE  15           2HD      PHE  15  -7.750   5.272  -3.624
  106    HE1  PHE  15           1HE      PHE  15  -5.365   1.284  -5.240
  107    HE2  PHE  15           2HE      PHE  15  -8.827   3.773  -5.251
  108    HZ   PHE  15           HZ       PHE  15  -7.635   1.777  -6.061
  109    H    TYR  16           H        TYR  16  -3.665   3.439   0.742
  110    HA   TYR  16           HA       TYR  16  -1.681   5.616   0.647
  111   1HB   TYR  16          2HB       TYR  16  -2.940   4.280   3.043
  112   2HB   TYR  16          1HB       TYR  16  -1.423   5.179   3.154
  113    HD1  TYR  16           1HD      TYR  16  -4.814   5.686   1.644
  114    HD2  TYR  16           2HD      TYR  16  -1.619   7.341   3.914
  115    HE1  TYR  16           1HE      TYR  16  -6.081   7.779   1.890
  116    HE2  TYR  16           2HE      TYR  16  -2.878   9.438   4.167
  117    HH   TYR  16           HH       TYR  16  -5.167  10.437   2.385
  118    H    THR  17           H        THR  17   0.188   4.847  -0.050
  119    HA   THR  17           HA       THR  17   1.147   2.283   1.006
  120    HB   THR  17           HB       THR  17   1.775   1.451  -1.100
  121    HG1  THR  17           1HG      THR  17   1.252   4.032  -2.150
  122   1HG2  THR  17          1HG2      THR  17  -0.202   1.017  -2.034
  123   2HG2  THR  17          2HG2      THR  17  -0.579   2.724  -2.270
  124   3HG2  THR  17          3HG2      THR  17  -0.863   1.966  -0.704
  125    H    THR  18           H        THR  18   3.111   2.454   1.847
  126    HA   THR  18           HA       THR  18   4.779   4.744   1.041
  127    HB   THR  18           HB       THR  18   5.710   4.779   3.237
  128    HG1  THR  18           1HG      THR  18   4.238   2.420   3.791
  129   1HG2  THR  18          1HG2      THR  18   2.741   4.471   3.234
  130   2HG2  THR  18          2HG2      THR  18   3.718   5.926   3.434
  131   3HG2  THR  18          3HG2      THR  18   3.622   4.743   4.738
  132    H    GLY  19           H        GLY  19   7.175   3.973   2.162
  133   1HA   GLY  19          2HA       GLY  19   7.885   1.683   0.446
  134   2HA   GLY  19          1HA       GLY  19   8.978   2.988   0.887
  135    H    GLU  20           H        GLU  20  10.021   0.617   1.238
  136    HA   GLU  20           HA       GLU  20   9.654  -0.034   4.088
  137   1HB   GLU  20          2HB       GLU  20   9.919  -1.687   1.724
  138   2HB   GLU  20          1HB       GLU  20  11.163  -2.082   2.913
  139   1HG   GLU  20          2HG       GLU  20   8.236  -1.919   3.576
  140   2HG   GLU  20          1HG       GLU  20   9.036  -3.405   3.066
  141    H    ILE  21           H        ILE  21  11.291   0.298   5.448
  142    HA   ILE  21           HA       ILE  21  13.976   0.756   4.331
  143    HB   ILE  21           HB       ILE  21  12.812   2.272   6.666
  144   1HG1  ILE  21          2HG1      ILE  21  13.444   3.730   4.184
  145   2HG1  ILE  21          1HG1      ILE  21  12.070   2.635   4.061
  146   1HG2  ILE  21          1HG2      ILE  21  15.407   2.443   5.161
  147   2HG2  ILE  21          2HG2      ILE  21  15.155   2.177   6.885
  148   3HG2  ILE  21          3HG2      ILE  21  14.810   3.755   6.178
  149   1HD1  ILE  21          1HD1      ILE  21  12.321   5.187   5.444
  150   2HD1  ILE  21          2HD1      ILE  21  11.565   3.923   6.411
  151   3HD1  ILE  21          3HD1      ILE  21  10.889   4.355   4.841
  Start of MODEL   30
    1   1H    THR   3          1H        THR   3  11.591  -6.194  -2.987
    2    HA   THR   3           HA       THR   3   9.263  -4.594  -3.700
    3    HB   THR   3           HB       THR   3   8.981  -7.384  -2.702
    4    HG1  THR   3           1HG      THR   3  10.334  -8.150  -4.085
    5   1HG2  THR   3          1HG2      THR   3   6.974  -6.548  -3.500
    6   2HG2  THR   3          2HG2      THR   3   7.593  -7.491  -4.854
    7   3HG2  THR   3          3HG2      THR   3   7.741  -5.734  -4.863
    8    H    ARG   4           H        ARG   4  10.433  -3.564  -1.513
    9    HA   ARG   4           HA       ARG   4   9.160  -4.622   0.871
   10   1HB   ARG   4          2HB       ARG   4  10.674  -2.051   0.902
   11   2HB   ARG   4          1HB       ARG   4  10.644  -3.356   2.087
   12   1HG   ARG   4          2HG       ARG   4  12.668  -3.867   1.317
   13   2HG   ARG   4          1HG       ARG   4  11.823  -4.561  -0.066
   14   1HD   ARG   4          2HD       ARG   4  12.243  -2.721  -1.412
   15   2HD   ARG   4          1HD       ARG   4  12.514  -1.650  -0.030
   16    HE   ARG   4           HE       ARG   4  14.503  -3.597   0.012
   17   1HH1  ARG   4          1HH1      ARG   4  13.476  -0.964  -2.034
   18   2HH1  ARG   4          2HH1      ARG   4  15.066  -0.651  -2.642
   19   1HH2  ARG   4          1HH2      ARG   4  16.597  -3.185  -0.784
   20   2HH2  ARG   4          2HH2      ARG   4  16.839  -1.912  -1.932
   21    H    LYS   5           H        LYS   5   7.100  -4.032  -0.541
   22    HA   LYS   5           HA       LYS   5   6.258  -1.302   0.172
   23   1HB   LYS   5          2HB       LYS   5   4.405  -1.782  -1.537
   24   2HB   LYS   5          1HB       LYS   5   6.028  -1.503  -2.152
   25   1HG   LYS   5          2HG       LYS   5   6.298  -3.663  -2.834
   26   2HG   LYS   5          1HG       LYS   5   5.203  -4.305  -1.596
   27   1HD   LYS   5          2HD       LYS   5   4.094  -4.557  -3.678
   28   2HD   LYS   5          1HD       LYS   5   3.320  -3.197  -2.860
   29   1HE   LYS   5          2HE       LYS   5   3.778  -1.876  -4.584
   30   2HE   LYS   5          1HE       LYS   5   5.501  -2.206  -4.398
   31   1HZ   LYS   5          1HZ       LYS   5   5.218  -3.027  -6.467
   32   2HZ   LYS   5          2HZ       LYS   5   3.577  -3.371  -6.247
   33   3HZ   LYS   5          3HZ       LYS   5   4.750  -4.419  -5.627
   34    H    SER   6           H        SER   6   3.960  -1.059   0.784
   35    HA   SER   6           HA       SER   6   2.862  -3.448   2.099
   36   1HB   SER   6          2HB       SER   6   3.709  -0.906   3.343
   37   2HB   SER   6          1HB       SER   6   2.124  -1.496   3.845
   38    HG   SER   6           HG       SER   6   4.420  -3.149   3.815
   39    H    ILE   7           H        ILE   7   1.418  -3.528   0.293
   40    HA   ILE   7           HA       ILE   7  -0.476  -1.328   0.009
   41    HB   ILE   7           HB       ILE   7  -0.386  -3.911  -1.548
   42   1HG1  ILE   7          2HG1      ILE   7   1.725  -2.679  -1.796
   43   2HG1  ILE   7          1HG1      ILE   7   0.791  -2.641  -3.288
   44   1HG2  ILE   7          1HG2      ILE   7  -2.526  -2.776  -1.654
   45   2HG2  ILE   7          2HG2      ILE   7  -1.691  -2.645  -3.201
   46   3HG2  ILE   7          3HG2      ILE   7  -1.728  -1.267  -2.102
   47   1HD1  ILE   7          1HD1      ILE   7   1.502  -0.472  -3.130
   48   2HD1  ILE   7          2HD1      ILE   7   1.390  -0.447  -1.368
   49   3HD1  ILE   7          3HD1      ILE   7  -0.076  -0.371  -2.347
   50    H    HIS   8           H        HIS   8  -2.011  -1.323   1.536
   51    HA   HIS   8           HA       HIS   8  -3.479  -3.835   1.999
   52   1HB   HIS   8          2HB       HIS   8  -2.802  -1.687   4.017
   53   2HB   HIS   8          1HB       HIS   8  -3.901  -3.028   4.323
   54    HD1  HIS   8           1HD      HIS   8  -2.519  -5.462   3.542
   55    HD2  HIS   8           2HD      HIS   8  -0.419  -2.250   5.134
   56    HE1  HIS   8           1HE      HIS   8  -0.377  -6.435   4.431
   57    HE2  HIS   8           2HE      HIS   8   0.919  -4.457   5.303
   58    H    ILE   9           H        ILE   9  -5.165  -3.424   0.627
   59    HA   ILE   9           HA       ILE   9  -6.767  -1.015   1.202
   60    HB   ILE   9           HB       ILE   9  -6.741  -2.559  -1.392
   61   1HG1  ILE   9          2HG1      ILE   9  -5.672   0.189  -1.329
   62   2HG1  ILE   9          1HG1      ILE   9  -4.681  -1.011  -0.507
   63   1HG2  ILE   9          1HG2      ILE   9  -7.695   0.220  -1.280
   64   2HG2  ILE   9          2HG2      ILE   9  -8.695  -0.961  -0.435
   65   3HG2  ILE   9          3HG2      ILE   9  -8.342  -1.171  -2.150
   66   1HD1  ILE   9          1HD1      ILE   9  -5.052  -2.359  -2.727
   67   2HD1  ILE   9          2HD1      ILE   9  -3.810  -1.114  -2.606
   68   3HD1  ILE   9          3HD1      ILE   9  -5.350  -0.751  -3.386
   69    H    GLY  10           H        GLY  10  -8.887  -1.258   1.697
   70   1HA   GLY  10          2HA       GLY  10  -9.838  -4.018   2.019
   71   2HA   GLY  10          1HA       GLY  10 -10.474  -2.607   2.851
   72    HA   PRO  11           HA       PRO  11 -13.244  -4.037  -0.772
   73   1HB   PRO  11          2HB       PRO  11 -15.203  -3.529   1.415
   74   2HB   PRO  11          1HB       PRO  11 -15.185  -4.807   0.195
   75   1HG   PRO  11          2HG       PRO  11 -14.487  -5.326   2.712
   76   2HG   PRO  11          1HG       PRO  11 -13.623  -6.075   1.354
   77   1HD   PRO  11          2HD       PRO  11 -12.787  -3.826   3.128
   78   2HD   PRO  11          1HD       PRO  11 -11.807  -5.114   2.397
   79    H    GLY  12           H        GLY  12 -13.148  -1.424   1.540
   80   1HA   GLY  12          2HA       GLY  12 -15.026   0.278   0.255
   81   2HA   GLY  12          1HA       GLY  12 -13.813   0.776   1.422
   82    H    ARG  13           H        ARG  13 -12.689   2.404   0.591
   83    HA   ARG  13           HA       ARG  13 -11.370   2.030  -1.976
   84   1HB   ARG  13          2HB       ARG  13 -12.048   4.261  -2.783
   85   2HB   ARG  13          1HB       ARG  13 -13.418   3.173  -2.606
   86   1HG   ARG  13          2HG       ARG  13 -13.737   4.260  -0.309
   87   2HG   ARG  13          1HG       ARG  13 -12.652   5.516  -0.906
   88   1HD   ARG  13          2HD       ARG  13 -14.413   5.248  -2.978
   89   2HD   ARG  13          1HD       ARG  13 -15.446   4.957  -1.581
   90    HE   ARG  13           HE       ARG  13 -15.248   7.167  -1.012
   91   1HH1  ARG  13          1HH1      ARG  13 -12.804   6.380  -3.377
   92   2HH1  ARG  13          2HH1      ARG  13 -12.316   8.026  -3.604
   93   1HH2  ARG  13          1HH2      ARG  13 -14.607   9.332  -1.310
   94   2HH2  ARG  13          2HH2      ARG  13 -13.340   9.701  -2.431
   95    H    ALA  14           H        ALA  14 -10.309   1.957   0.608
   96    HA   ALA  14           HA       ALA  14  -9.056   4.538   1.092
   97   1HB   ALA  14          1HB       ALA  14  -8.169   2.209   2.656
   98   2HB   ALA  14          2HB       ALA  14  -9.880   2.614   2.797
   99   3HB   ALA  14          3HB       ALA  14  -8.652   3.821   3.187
  100    H    PHE  15           H        PHE  15  -6.966   5.040   0.684
  101    HA   PHE  15           HA       PHE  15  -5.290   2.950  -0.540
  102   1HB   PHE  15          2HB       PHE  15  -6.073   5.591  -1.548
  103   2HB   PHE  15          1HB       PHE  15  -4.338   5.297  -1.613
  104    HD1  PHE  15           1HD      PHE  15  -4.036   2.556  -2.297
  105    HD2  PHE  15           2HD      PHE  15  -6.996   5.310  -3.625
  106    HE1  PHE  15           1HE      PHE  15  -4.336   1.236  -4.351
  107    HE2  PHE  15           2HE      PHE  15  -7.302   3.995  -5.683
  108    HZ   PHE  15           HZ       PHE  15  -5.972   1.954  -6.047
  109    H    TYR  16           H        TYR  16  -3.968   2.471   1.138
  110    HA   TYR  16           HA       TYR  16  -2.215   4.625   2.074
  111   1HB   TYR  16          2HB       TYR  16  -3.699   2.658   3.823
  112   2HB   TYR  16          1HB       TYR  16  -2.293   3.570   4.382
  113    HD1  TYR  16           1HD      TYR  16  -5.761   3.912   3.117
  114    HD2  TYR  16           2HD      TYR  16  -2.507   5.814   5.090
  115    HE1  TYR  16           1HE      TYR  16  -7.229   5.793   3.712
  116    HE2  TYR  16           2HE      TYR  16  -3.966   7.699   5.692
  117    HH   TYR  16           HH       TYR  16  -6.496   8.037   6.024
  118    H    THR  17           H        THR  17  -0.183   4.088   1.668
  119    HA   THR  17           HA       THR  17   0.688   1.329   2.087
  120    HB   THR  17           HB       THR  17   1.717   1.105  -0.033
  121    HG1  THR  17           1HG      THR  17   1.031   3.801  -0.574
  122   1HG2  THR  17          1HG2      THR  17  -0.571   0.636  -0.340
  123   2HG2  THR  17          2HG2      THR  17  -0.080   1.639  -1.705
  124   3HG2  THR  17          3HG2      THR  17  -0.993   2.349  -0.374
  125    H    THR  18           H        THR  18   2.729   1.139   2.867
  126    HA   THR  18           HA       THR  18   4.347   3.593   3.037
  127    HB   THR  18           HB       THR  18   4.918   3.145   5.299
  128    HG1  THR  18           1HG      THR  18   4.191   1.234   6.341
  129   1HG2  THR  18          1HG2      THR  18   2.672   4.115   5.052
  130   2HG2  THR  18          2HG2      THR  18   2.839   3.126   6.502
  131   3HG2  THR  18          3HG2      THR  18   1.991   2.488   5.094
  132    H    GLY  19           H        GLY  19   6.529   2.430   4.386
  133   1HA   GLY  19          2HA       GLY  19   8.386   1.114   4.075
  134   2HA   GLY  19          1HA       GLY  19   7.406   0.068   3.066
  135    H    GLU  20           H        GLU  20   9.888   0.346   2.237
  136    HA   GLU  20           HA       GLU  20  10.133   2.574   0.399
  137   1HB   GLU  20          2HB       GLU  20  11.996   1.278   1.797
  138   2HB   GLU  20          1HB       GLU  20  12.037   0.282   0.340
  139   1HG   GLU  20          2HG       GLU  20  13.409   1.768  -0.549
  140   2HG   GLU  20          1HG       GLU  20  12.072   2.916  -0.574
  141    H    ILE  21           H        ILE  21   8.518   2.264  -1.124
  142    HA   ILE  21           HA       ILE  21   8.398  -0.240  -2.584
  143    HB   ILE  21           HB       ILE  21   6.353   1.042  -1.885
  144   1HG1  ILE  21          2HG1      ILE  21   6.651  -0.631  -3.893
  145   2HG1  ILE  21          1HG1      ILE  21   5.141   0.238  -3.655
  146   1HG2  ILE  21          1HG2      ILE  21   7.216   3.287  -2.407
  147   2HG2  ILE  21          2HG2      ILE  21   5.652   2.967  -3.160
  148   3HG2  ILE  21          3HG2      ILE  21   7.127   2.902  -4.126
  149   1HD1  ILE  21          1HD1      ILE  21   6.228   0.079  -6.015
  150   2HD1  ILE  21          2HD1      ILE  21   7.224   1.411  -5.430
  151   3HD1  ILE  21          3HD1      ILE  21   5.468   1.579  -5.485