USER MOD reduce.3.24.130724 H: found=0, std=0, add=411, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 407 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 12 CYS SG : rot 160:sc= 1.76 USER MOD Set 1.2: A 15 CYS SG : rot -61:sc= -0.424! USER MOD Set 1.3: A 17 THR OG1 : rot 96:sc= -2.76! USER MOD Set 1.4: A 33 CYS SG : rot -133:sc= 1.5 USER MOD Set 1.5: A 36 CYS SG : rot 142:sc= 0.186 USER MOD Set 1.6: A 52 LYS NZ :NH3+ 176:sc= 0.835 (180deg=0.0876) USER MOD Set 2.1: A 20 THR OG1 : rot 93:sc= -0.576 USER MOD Set 2.2: A 34 ASN :FLIP amide:sc= -1.09 F(o=-10!,f=-1.7) USER MOD Single : A 11 THR OG1 : rot 35:sc= 0.0523 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -2.86! C(o=-2.9!,f=-3.4!) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=-0.067) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 ASN :FLIP amide:sc= -1.17 F(o=-2.1,f=-1.2) USER MOD Single : A 30 GLN :FLIP amide:sc= 0 F(o=-1!,f=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HE2:sc= -5.96! C(o=-6!,f=-9.3!) USER MOD Single : A 50 SER OG : rot -49:sc= 0.0246 USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.0348 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -115:sc= -0.41 (180deg=-1.77!) USER MOD Single : A 60 ASN : amide:sc= -0.334 K(o=-0.33,f=-5.9!) USER MOD ----------------------------------------------------------------- ATOM 970 N THR A 11 11.838 6.968 31.108 1.00 0.00 N ATOM 971 CA THR A 11 11.325 5.571 31.254 1.00 0.00 C ATOM 972 C THR A 11 9.837 5.605 31.624 1.00 0.00 C ATOM 973 O THR A 11 9.403 6.415 32.421 1.00 0.00 O ATOM 974 CB THR A 11 12.111 4.865 32.363 1.00 0.00 C ATOM 975 OG1 THR A 11 13.473 4.754 31.975 1.00 0.00 O ATOM 976 CG2 THR A 11 11.531 3.471 32.603 1.00 0.00 C ATOM 0 HA THR A 11 11.449 5.034 30.314 1.00 0.00 H new ATOM 0 HB THR A 11 12.038 5.445 33.283 1.00 0.00 H new ATOM 0 HG1 THR A 11 13.731 5.546 31.458 1.00 0.00 H new ATOM 0 HG21 THR A 11 12.094 2.974 33.393 1.00 0.00 H new ATOM 0 HG22 THR A 11 10.486 3.558 32.902 1.00 0.00 H new ATOM 0 HG23 THR A 11 11.598 2.886 31.686 1.00 0.00 H new ATOM 984 N CYS A 12 9.056 4.729 31.052 1.00 0.00 N ATOM 985 CA CYS A 12 7.597 4.707 31.370 1.00 0.00 C ATOM 986 C CYS A 12 7.395 4.165 32.785 1.00 0.00 C ATOM 987 O CYS A 12 7.624 3.003 33.056 1.00 0.00 O ATOM 988 CB CYS A 12 6.860 3.813 30.376 1.00 0.00 C ATOM 989 SG CYS A 12 5.084 4.155 30.467 1.00 0.00 S ATOM 0 H CYS A 12 9.364 4.028 30.378 1.00 0.00 H new ATOM 0 HA CYS A 12 7.201 5.720 31.303 1.00 0.00 H new ATOM 0 HB2 CYS A 12 7.226 3.995 29.365 1.00 0.00 H new ATOM 0 HB3 CYS A 12 7.052 2.764 30.601 1.00 0.00 H new ATOM 0 HG CYS A 12 4.506 3.741 29.379 1.00 0.00 H new ATOM 994 N THR A 13 6.964 5.001 33.686 1.00 0.00 N ATOM 995 CA THR A 13 6.754 4.549 35.089 1.00 0.00 C ATOM 996 C THR A 13 5.611 3.534 35.170 1.00 0.00 C ATOM 997 O THR A 13 5.426 2.894 36.187 1.00 0.00 O ATOM 998 CB THR A 13 6.418 5.752 35.972 1.00 0.00 C ATOM 999 OG1 THR A 13 5.255 6.395 35.471 1.00 0.00 O ATOM 1000 CG2 THR A 13 7.587 6.738 35.974 1.00 0.00 C ATOM 0 H THR A 13 6.747 5.982 33.511 1.00 0.00 H new ATOM 0 HA THR A 13 7.672 4.074 35.436 1.00 0.00 H new ATOM 0 HB THR A 13 6.237 5.411 36.991 1.00 0.00 H new ATOM 0 HG1 THR A 13 5.038 7.165 36.037 1.00 0.00 H new ATOM 0 HG21 THR A 13 7.341 7.592 36.605 1.00 0.00 H new ATOM 0 HG22 THR A 13 8.478 6.245 36.362 1.00 0.00 H new ATOM 0 HG23 THR A 13 7.776 7.080 34.957 1.00 0.00 H new ATOM 1008 N ASN A 14 4.832 3.379 34.130 1.00 0.00 N ATOM 1009 CA ASN A 14 3.696 2.407 34.187 1.00 0.00 C ATOM 1010 C ASN A 14 4.083 1.073 33.540 1.00 0.00 C ATOM 1011 O ASN A 14 3.586 0.038 33.938 1.00 0.00 O ATOM 1012 CB ASN A 14 2.488 2.994 33.450 1.00 0.00 C ATOM 1013 CG ASN A 14 1.791 4.028 34.342 1.00 0.00 C ATOM 1014 OD1 ASN A 14 2.077 4.123 35.519 1.00 0.00 O ATOM 1015 ND2 ASN A 14 0.874 4.801 33.830 1.00 0.00 N ATOM 0 H ASN A 14 4.932 3.880 33.247 1.00 0.00 H new ATOM 0 HA ASN A 14 3.448 2.227 35.233 1.00 0.00 H new ATOM 0 HB2 ASN A 14 2.809 3.461 32.519 1.00 0.00 H new ATOM 0 HB3 ASN A 14 1.791 2.200 33.184 1.00 0.00 H new ATOM 0 HD21 ASN A 14 0.397 5.485 34.418 1.00 0.00 H new ATOM 0 HD22 ASN A 14 0.634 4.722 32.842 1.00 0.00 H new ATOM 1022 N CYS A 15 4.936 1.067 32.541 1.00 0.00 N ATOM 1023 CA CYS A 15 5.300 -0.233 31.886 1.00 0.00 C ATOM 1024 C CYS A 15 6.806 -0.311 31.616 1.00 0.00 C ATOM 1025 O CYS A 15 7.261 -1.161 30.878 1.00 0.00 O ATOM 1026 CB CYS A 15 4.512 -0.389 30.579 1.00 0.00 C ATOM 1027 SG CYS A 15 5.233 0.640 29.275 1.00 0.00 S ATOM 0 H CYS A 15 5.391 1.894 32.155 1.00 0.00 H new ATOM 0 HA CYS A 15 5.041 -1.048 32.562 1.00 0.00 H new ATOM 0 HB2 CYS A 15 4.515 -1.434 30.269 1.00 0.00 H new ATOM 0 HB3 CYS A 15 3.471 -0.107 30.739 1.00 0.00 H new ATOM 0 HG CYS A 15 5.185 1.889 29.632 1.00 0.00 H new ATOM 1032 N PHE A 16 7.583 0.544 32.226 1.00 0.00 N ATOM 1033 CA PHE A 16 9.067 0.504 32.041 1.00 0.00 C ATOM 1034 C PHE A 16 9.466 0.649 30.568 1.00 0.00 C ATOM 1035 O PHE A 16 10.634 0.585 30.241 1.00 0.00 O ATOM 1036 CB PHE A 16 9.628 -0.817 32.583 1.00 0.00 C ATOM 1037 CG PHE A 16 9.334 -0.932 34.058 1.00 0.00 C ATOM 1038 CD1 PHE A 16 10.227 -0.394 34.993 1.00 0.00 C ATOM 1039 CD2 PHE A 16 8.170 -1.578 34.493 1.00 0.00 C ATOM 1040 CE1 PHE A 16 9.958 -0.501 36.362 1.00 0.00 C ATOM 1041 CE2 PHE A 16 7.901 -1.686 35.863 1.00 0.00 C ATOM 1042 CZ PHE A 16 8.795 -1.148 36.797 1.00 0.00 C ATOM 0 H PHE A 16 7.251 1.277 32.852 1.00 0.00 H new ATOM 0 HA PHE A 16 9.484 1.347 32.592 1.00 0.00 H new ATOM 0 HB2 PHE A 16 9.185 -1.657 32.048 1.00 0.00 H new ATOM 0 HB3 PHE A 16 10.704 -0.863 32.413 1.00 0.00 H new ATOM 0 HD1 PHE A 16 11.124 0.104 34.657 1.00 0.00 H new ATOM 0 HD2 PHE A 16 7.480 -1.992 33.772 1.00 0.00 H new ATOM 0 HE1 PHE A 16 10.647 -0.085 37.082 1.00 0.00 H new ATOM 0 HE2 PHE A 16 7.004 -2.184 36.199 1.00 0.00 H new ATOM 0 HZ PHE A 16 8.587 -1.232 37.853 1.00 0.00 H new ATOM 1052 N THR A 17 8.538 0.814 29.667 1.00 0.00 N ATOM 1053 CA THR A 17 8.938 0.919 28.233 1.00 0.00 C ATOM 1054 C THR A 17 9.903 2.088 28.037 1.00 0.00 C ATOM 1055 O THR A 17 9.605 3.223 28.347 1.00 0.00 O ATOM 1056 CB THR A 17 7.696 1.138 27.360 1.00 0.00 C ATOM 1057 OG1 THR A 17 6.915 -0.044 27.346 1.00 0.00 O ATOM 1058 CG2 THR A 17 8.119 1.474 25.928 1.00 0.00 C ATOM 0 H THR A 17 7.537 0.880 29.854 1.00 0.00 H new ATOM 0 HA THR A 17 9.432 -0.008 27.941 1.00 0.00 H new ATOM 0 HB THR A 17 7.113 1.963 27.770 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.210 0.022 28.023 1.00 0.00 H new ATOM 0 HG21 THR A 17 7.232 1.628 25.313 1.00 0.00 H new ATOM 0 HG22 THR A 17 8.721 2.382 25.930 1.00 0.00 H new ATOM 0 HG23 THR A 17 8.705 0.651 25.519 1.00 0.00 H new ATOM 1066 N GLN A 18 11.060 1.800 27.501 1.00 0.00 N ATOM 1067 CA GLN A 18 12.077 2.858 27.243 1.00 0.00 C ATOM 1068 C GLN A 18 12.025 3.242 25.761 1.00 0.00 C ATOM 1069 O GLN A 18 12.572 4.245 25.348 1.00 0.00 O ATOM 1070 CB GLN A 18 13.461 2.301 27.578 1.00 0.00 C ATOM 1071 CG GLN A 18 14.511 3.406 27.452 1.00 0.00 C ATOM 1072 CD GLN A 18 15.866 2.871 27.915 1.00 0.00 C ATOM 1073 OE1 GLN A 18 16.306 1.830 27.469 1.00 0.00 O ATOM 1074 NE2 GLN A 18 16.544 3.539 28.807 1.00 0.00 N ATOM 0 H GLN A 18 11.346 0.860 27.227 1.00 0.00 H new ATOM 0 HA GLN A 18 11.876 3.736 27.856 1.00 0.00 H new ATOM 0 HB2 GLN A 18 13.465 1.897 28.590 1.00 0.00 H new ATOM 0 HB3 GLN A 18 13.704 1.478 26.906 1.00 0.00 H new ATOM 0 HG2 GLN A 18 14.575 3.746 26.418 1.00 0.00 H new ATOM 0 HG3 GLN A 18 14.223 4.268 28.054 1.00 0.00 H new ATOM 0 HE21 GLN A 18 16.173 4.413 29.180 1.00 0.00 H new ATOM 0 HE22 GLN A 18 17.445 3.188 29.131 1.00 0.00 H new ATOM 1083 N THR A 19 11.368 2.441 24.959 1.00 0.00 N ATOM 1084 CA THR A 19 11.265 2.725 23.494 1.00 0.00 C ATOM 1085 C THR A 19 9.809 3.064 23.151 1.00 0.00 C ATOM 1086 O THR A 19 8.901 2.332 23.492 1.00 0.00 O ATOM 1087 CB THR A 19 11.707 1.476 22.720 1.00 0.00 C ATOM 1088 OG1 THR A 19 13.044 1.154 23.079 1.00 0.00 O ATOM 1089 CG2 THR A 19 11.636 1.743 21.216 1.00 0.00 C ATOM 0 H THR A 19 10.892 1.591 25.262 1.00 0.00 H new ATOM 0 HA THR A 19 11.902 3.567 23.224 1.00 0.00 H new ATOM 0 HB THR A 19 11.046 0.645 22.967 1.00 0.00 H new ATOM 0 HG1 THR A 19 13.331 0.356 22.589 1.00 0.00 H new ATOM 0 HG21 THR A 19 11.951 0.852 20.673 1.00 0.00 H new ATOM 0 HG22 THR A 19 10.612 1.994 20.939 1.00 0.00 H new ATOM 0 HG23 THR A 19 12.294 2.574 20.963 1.00 0.00 H new ATOM 1097 N THR A 20 9.574 4.171 22.492 1.00 0.00 N ATOM 1098 CA THR A 20 8.169 4.548 22.152 1.00 0.00 C ATOM 1099 C THR A 20 8.156 5.652 21.082 1.00 0.00 C ATOM 1100 O THR A 20 9.063 6.458 21.016 1.00 0.00 O ATOM 1101 CB THR A 20 7.480 5.063 23.419 1.00 0.00 C ATOM 1102 OG1 THR A 20 6.293 5.761 23.074 1.00 0.00 O ATOM 1103 CG2 THR A 20 8.417 6.008 24.174 1.00 0.00 C ATOM 0 H THR A 20 10.290 4.826 22.177 1.00 0.00 H new ATOM 0 HA THR A 20 7.645 3.676 21.762 1.00 0.00 H new ATOM 0 HB THR A 20 7.231 4.213 24.054 1.00 0.00 H new ATOM 0 HG1 THR A 20 5.532 5.144 23.100 1.00 0.00 H new ATOM 0 HG21 THR A 20 7.920 6.370 25.074 1.00 0.00 H new ATOM 0 HG22 THR A 20 9.326 5.474 24.451 1.00 0.00 H new ATOM 0 HG23 THR A 20 8.673 6.853 23.535 1.00 0.00 H new ATOM 1111 N PRO A 21 7.137 5.702 20.252 1.00 0.00 N ATOM 1112 CA PRO A 21 7.018 6.743 19.180 1.00 0.00 C ATOM 1113 C PRO A 21 6.867 8.161 19.751 1.00 0.00 C ATOM 1114 O PRO A 21 7.249 9.132 19.126 1.00 0.00 O ATOM 1115 CB PRO A 21 5.760 6.326 18.398 1.00 0.00 C ATOM 1116 CG PRO A 21 4.964 5.502 19.357 1.00 0.00 C ATOM 1117 CD PRO A 21 5.987 4.776 20.227 1.00 0.00 C ATOM 0 HA PRO A 21 7.914 6.788 18.560 1.00 0.00 H new ATOM 0 HB2 PRO A 21 5.196 7.197 18.064 1.00 0.00 H new ATOM 0 HB3 PRO A 21 6.020 5.754 17.508 1.00 0.00 H new ATOM 0 HG2 PRO A 21 4.310 6.129 19.963 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.326 4.793 18.829 1.00 0.00 H new ATOM 0 HD2 PRO A 21 5.601 4.588 21.229 1.00 0.00 H new ATOM 0 HD3 PRO A 21 6.259 3.809 19.804 1.00 0.00 H new ATOM 1125 N VAL A 22 6.306 8.293 20.922 1.00 0.00 N ATOM 1126 CA VAL A 22 6.128 9.652 21.514 1.00 0.00 C ATOM 1127 C VAL A 22 5.821 9.527 23.008 1.00 0.00 C ATOM 1128 O VAL A 22 5.163 8.604 23.446 1.00 0.00 O ATOM 1129 CB VAL A 22 4.975 10.369 20.804 1.00 0.00 C ATOM 1130 CG1 VAL A 22 3.710 9.514 20.885 1.00 0.00 C ATOM 1131 CG2 VAL A 22 4.722 11.723 21.474 1.00 0.00 C ATOM 0 H VAL A 22 5.963 7.521 21.494 1.00 0.00 H new ATOM 0 HA VAL A 22 7.045 10.228 21.386 1.00 0.00 H new ATOM 0 HB VAL A 22 5.238 10.526 19.758 1.00 0.00 H new ATOM 0 HG11 VAL A 22 2.892 10.026 20.379 1.00 0.00 H new ATOM 0 HG12 VAL A 22 3.889 8.553 20.403 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.446 9.353 21.930 1.00 0.00 H new ATOM 0 HG21 VAL A 22 3.902 12.232 20.968 1.00 0.00 H new ATOM 0 HG22 VAL A 22 4.462 11.568 22.521 1.00 0.00 H new ATOM 0 HG23 VAL A 22 5.622 12.334 21.411 1.00 0.00 H new ATOM 1141 N TRP A 23 6.312 10.446 23.797 1.00 0.00 N ATOM 1142 CA TRP A 23 6.076 10.389 25.272 1.00 0.00 C ATOM 1143 C TRP A 23 4.825 11.194 25.641 1.00 0.00 C ATOM 1144 O TRP A 23 4.643 12.318 25.216 1.00 0.00 O ATOM 1145 CB TRP A 23 7.293 10.960 26.002 1.00 0.00 C ATOM 1146 CG TRP A 23 8.446 10.011 25.877 1.00 0.00 C ATOM 1147 CD1 TRP A 23 9.465 10.139 24.998 1.00 0.00 C ATOM 1148 CD2 TRP A 23 8.715 8.795 26.638 1.00 0.00 C ATOM 1149 NE1 TRP A 23 10.346 9.089 25.174 1.00 0.00 N ATOM 1150 CE2 TRP A 23 9.928 8.232 26.171 1.00 0.00 C ATOM 1151 CE3 TRP A 23 8.037 8.134 27.677 1.00 0.00 C ATOM 1152 CZ2 TRP A 23 10.447 7.055 26.715 1.00 0.00 C ATOM 1153 CZ3 TRP A 23 8.554 6.949 28.225 1.00 0.00 C ATOM 1154 CH2 TRP A 23 9.757 6.411 27.746 1.00 0.00 C ATOM 0 H TRP A 23 6.870 11.239 23.482 1.00 0.00 H new ATOM 0 HA TRP A 23 5.924 9.352 25.570 1.00 0.00 H new ATOM 0 HB2 TRP A 23 7.560 11.930 25.581 1.00 0.00 H new ATOM 0 HB3 TRP A 23 7.056 11.123 27.053 1.00 0.00 H new ATOM 0 HD1 TRP A 23 9.573 10.934 24.275 1.00 0.00 H new ATOM 0 HE1 TRP A 23 11.201 8.963 24.633 1.00 0.00 H new ATOM 0 HE3 TRP A 23 7.111 8.541 28.057 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 11.374 6.646 26.342 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 8.022 6.449 29.020 1.00 0.00 H new ATOM 0 HH2 TRP A 23 10.150 5.500 28.173 1.00 0.00 H new ATOM 1165 N ARG A 24 3.963 10.617 26.440 1.00 0.00 N ATOM 1166 CA ARG A 24 2.711 11.316 26.865 1.00 0.00 C ATOM 1167 C ARG A 24 2.906 11.896 28.267 1.00 0.00 C ATOM 1168 O ARG A 24 3.857 11.580 28.955 1.00 0.00 O ATOM 1169 CB ARG A 24 1.558 10.307 26.930 1.00 0.00 C ATOM 1170 CG ARG A 24 1.175 9.806 25.532 1.00 0.00 C ATOM 1171 CD ARG A 24 0.228 10.794 24.843 1.00 0.00 C ATOM 1172 NE ARG A 24 -0.026 10.344 23.447 1.00 0.00 N ATOM 1173 CZ ARG A 24 -1.066 10.789 22.796 1.00 0.00 C ATOM 1174 NH1 ARG A 24 -1.931 11.559 23.397 1.00 0.00 N ATOM 1175 NH2 ARG A 24 -1.250 10.446 21.551 1.00 0.00 N ATOM 0 H ARG A 24 4.075 9.678 26.821 1.00 0.00 H new ATOM 0 HA ARG A 24 2.485 12.107 26.150 1.00 0.00 H new ATOM 0 HB2 ARG A 24 1.847 9.462 27.555 1.00 0.00 H new ATOM 0 HB3 ARG A 24 0.692 10.771 27.402 1.00 0.00 H new ATOM 0 HG2 ARG A 24 2.073 9.675 24.929 1.00 0.00 H new ATOM 0 HG3 ARG A 24 0.697 8.829 25.609 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -0.711 10.858 25.393 1.00 0.00 H new ATOM 0 HD3 ARG A 24 0.665 11.793 24.841 1.00 0.00 H new ATOM 0 HE ARG A 24 0.613 9.687 22.999 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -1.794 11.813 24.375 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -2.744 11.907 22.888 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -0.582 9.831 21.087 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -2.062 10.793 21.041 1.00 0.00 H new ATOM 1189 N ARG A 25 1.994 12.727 28.701 1.00 0.00 N ATOM 1190 CA ARG A 25 2.085 13.323 30.068 1.00 0.00 C ATOM 1191 C ARG A 25 0.712 13.202 30.732 1.00 0.00 C ATOM 1192 O ARG A 25 -0.292 13.040 30.067 1.00 0.00 O ATOM 1193 CB ARG A 25 2.488 14.796 29.967 1.00 0.00 C ATOM 1194 CG ARG A 25 3.923 14.890 29.443 1.00 0.00 C ATOM 1195 CD ARG A 25 4.424 16.331 29.557 1.00 0.00 C ATOM 1196 NE ARG A 25 3.686 17.192 28.592 1.00 0.00 N ATOM 1197 CZ ARG A 25 3.751 18.490 28.691 1.00 0.00 C ATOM 1198 NH1 ARG A 25 4.485 19.041 29.620 1.00 0.00 N ATOM 1199 NH2 ARG A 25 3.086 19.239 27.856 1.00 0.00 N ATOM 0 H ARG A 25 1.181 13.021 28.160 1.00 0.00 H new ATOM 0 HA ARG A 25 2.836 12.799 30.659 1.00 0.00 H new ATOM 0 HB2 ARG A 25 1.809 15.326 29.299 1.00 0.00 H new ATOM 0 HB3 ARG A 25 2.413 15.274 30.944 1.00 0.00 H new ATOM 0 HG2 ARG A 25 4.572 14.224 30.012 1.00 0.00 H new ATOM 0 HG3 ARG A 25 3.962 14.563 28.404 1.00 0.00 H new ATOM 0 HD2 ARG A 25 4.279 16.698 30.573 1.00 0.00 H new ATOM 0 HD3 ARG A 25 5.494 16.372 29.353 1.00 0.00 H new ATOM 0 HE ARG A 25 3.129 16.765 27.852 1.00 0.00 H new ATOM 0 HH11 ARG A 25 5.009 18.455 30.270 1.00 0.00 H new ATOM 0 HH12 ARG A 25 4.534 20.057 29.695 1.00 0.00 H new ATOM 0 HH21 ARG A 25 2.516 18.809 27.127 1.00 0.00 H new ATOM 0 HH22 ARG A 25 3.135 20.255 27.932 1.00 0.00 H new ATOM 1213 N ASN A 26 0.662 13.257 32.038 1.00 0.00 N ATOM 1214 CA ASN A 26 -0.640 13.122 32.761 1.00 0.00 C ATOM 1215 C ASN A 26 -0.757 14.264 33.783 1.00 0.00 C ATOM 1216 O ASN A 26 0.239 14.663 34.352 1.00 0.00 O ATOM 1217 CB ASN A 26 -0.627 11.775 33.495 1.00 0.00 C ATOM 1218 CG ASN A 26 -2.041 11.383 33.922 1.00 0.00 C ATOM 1219 OD1 ASN A 26 -2.496 11.789 35.077 1.00 0.00 O flip ATOM 1220 ND2 ASN A 26 -2.738 10.699 33.201 1.00 0.00 N flip ATOM 0 H ASN A 26 1.474 13.391 32.640 1.00 0.00 H new ATOM 0 HA ASN A 26 -1.481 13.169 32.070 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -0.210 11.005 32.846 1.00 0.00 H new ATOM 0 HB3 ASN A 26 0.019 11.838 34.371 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -2.382 10.382 32.299 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -3.679 10.441 33.497 1.00 0.00 H new ATOM 1227 N PRO A 27 -1.937 14.795 34.033 1.00 0.00 N ATOM 1228 CA PRO A 27 -2.119 15.895 35.032 1.00 0.00 C ATOM 1229 C PRO A 27 -1.364 15.660 36.351 1.00 0.00 C ATOM 1230 O PRO A 27 -1.360 16.506 37.223 1.00 0.00 O ATOM 1231 CB PRO A 27 -3.630 15.910 35.271 1.00 0.00 C ATOM 1232 CG PRO A 27 -4.213 15.469 33.972 1.00 0.00 C ATOM 1233 CD PRO A 27 -3.228 14.444 33.397 1.00 0.00 C ATOM 0 HA PRO A 27 -1.716 16.837 34.660 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -3.911 15.238 36.082 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -3.979 16.905 35.546 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -5.198 15.026 34.116 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -4.339 16.313 33.294 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -3.527 13.424 33.637 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -3.170 14.512 32.311 1.00 0.00 H new ATOM 1241 N GLU A 28 -0.704 14.538 36.503 1.00 0.00 N ATOM 1242 CA GLU A 28 0.069 14.283 37.757 1.00 0.00 C ATOM 1243 C GLU A 28 1.526 14.681 37.505 1.00 0.00 C ATOM 1244 O GLU A 28 2.288 14.923 38.419 1.00 0.00 O ATOM 1245 CB GLU A 28 0.020 12.793 38.111 1.00 0.00 C ATOM 1246 CG GLU A 28 -1.416 12.371 38.429 1.00 0.00 C ATOM 1247 CD GLU A 28 -1.908 13.112 39.675 1.00 0.00 C ATOM 1248 OE1 GLU A 28 -1.072 13.538 40.455 1.00 0.00 O ATOM 1249 OE2 GLU A 28 -3.111 13.237 39.828 1.00 0.00 O ATOM 0 H GLU A 28 -0.668 13.788 35.813 1.00 0.00 H new ATOM 0 HA GLU A 28 -0.359 14.859 38.578 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.405 12.202 37.280 1.00 0.00 H new ATOM 0 HB3 GLU A 28 0.663 12.594 38.968 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -2.066 12.592 37.582 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -1.461 11.294 38.593 1.00 0.00 H new ATOM 1256 N GLY A 29 1.906 14.752 36.257 1.00 0.00 N ATOM 1257 CA GLY A 29 3.301 15.137 35.898 1.00 0.00 C ATOM 1258 C GLY A 29 4.186 13.894 35.771 1.00 0.00 C ATOM 1259 O GLY A 29 5.392 13.991 35.666 1.00 0.00 O ATOM 0 H GLY A 29 1.300 14.557 35.460 1.00 0.00 H new ATOM 0 HA2 GLY A 29 3.302 15.688 34.958 1.00 0.00 H new ATOM 0 HA3 GLY A 29 3.707 15.804 36.659 1.00 0.00 H new ATOM 1263 N GLN A 30 3.601 12.724 35.765 1.00 0.00 N ATOM 1264 CA GLN A 30 4.420 11.480 35.622 1.00 0.00 C ATOM 1265 C GLN A 30 4.603 11.172 34.124 1.00 0.00 C ATOM 1266 O GLN A 30 3.665 11.286 33.361 1.00 0.00 O ATOM 1267 CB GLN A 30 3.697 10.308 36.297 1.00 0.00 C ATOM 1268 CG GLN A 30 2.357 10.067 35.600 1.00 0.00 C ATOM 1269 CD GLN A 30 1.517 9.082 36.418 1.00 0.00 C ATOM 1270 OE1 GLN A 30 2.067 8.443 37.414 1.00 0.00 O flip ATOM 1271 NE2 GLN A 30 0.348 8.891 36.147 1.00 0.00 N flip ATOM 0 H GLN A 30 2.596 12.575 35.852 1.00 0.00 H new ATOM 0 HA GLN A 30 5.392 11.623 36.094 1.00 0.00 H new ATOM 0 HB2 GLN A 30 4.312 9.410 36.247 1.00 0.00 H new ATOM 0 HB3 GLN A 30 3.536 10.525 37.353 1.00 0.00 H new ATOM 0 HG2 GLN A 30 1.821 11.009 35.486 1.00 0.00 H new ATOM 0 HG3 GLN A 30 2.524 9.672 34.598 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -0.083 9.390 35.369 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -0.202 8.232 36.698 1.00 0.00 H new ATOM 1280 N PRO A 31 5.780 10.779 33.688 1.00 0.00 N ATOM 1281 CA PRO A 31 6.022 10.453 32.249 1.00 0.00 C ATOM 1282 C PRO A 31 5.409 9.100 31.858 1.00 0.00 C ATOM 1283 O PRO A 31 5.431 8.157 32.621 1.00 0.00 O ATOM 1284 CB PRO A 31 7.551 10.420 32.142 1.00 0.00 C ATOM 1285 CG PRO A 31 8.014 10.011 33.502 1.00 0.00 C ATOM 1286 CD PRO A 31 7.005 10.604 34.491 1.00 0.00 C ATOM 0 HA PRO A 31 5.561 11.176 31.575 1.00 0.00 H new ATOM 0 HB2 PRO A 31 7.880 9.712 31.381 1.00 0.00 H new ATOM 0 HB3 PRO A 31 7.950 11.395 31.864 1.00 0.00 H new ATOM 0 HG2 PRO A 31 8.054 8.925 33.590 1.00 0.00 H new ATOM 0 HG3 PRO A 31 9.019 10.384 33.700 1.00 0.00 H new ATOM 0 HD2 PRO A 31 6.836 9.938 35.337 1.00 0.00 H new ATOM 0 HD3 PRO A 31 7.355 11.553 34.898 1.00 0.00 H new ATOM 1294 N LEU A 32 4.857 9.011 30.675 1.00 0.00 N ATOM 1295 CA LEU A 32 4.223 7.730 30.220 1.00 0.00 C ATOM 1296 C LEU A 32 4.543 7.475 28.745 1.00 0.00 C ATOM 1297 O LEU A 32 4.703 8.396 27.969 1.00 0.00 O ATOM 1298 CB LEU A 32 2.700 7.840 30.351 1.00 0.00 C ATOM 1299 CG LEU A 32 2.288 8.101 31.803 1.00 0.00 C ATOM 1300 CD1 LEU A 32 0.798 8.447 31.839 1.00 0.00 C ATOM 1301 CD2 LEU A 32 2.538 6.852 32.660 1.00 0.00 C ATOM 0 H LEU A 32 4.816 9.773 29.999 1.00 0.00 H new ATOM 0 HA LEU A 32 4.610 6.918 30.835 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.335 8.647 29.716 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.234 6.920 29.997 1.00 0.00 H new ATOM 0 HG LEU A 32 2.878 8.926 32.202 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.493 8.635 32.868 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.617 9.338 31.238 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.221 7.614 31.436 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.241 7.052 33.690 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.954 6.019 32.269 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.597 6.597 32.631 1.00 0.00 H new ATOM 1313 N CYS A 33 4.590 6.233 28.336 1.00 0.00 N ATOM 1314 CA CYS A 33 4.841 5.945 26.898 1.00 0.00 C ATOM 1315 C CYS A 33 3.546 6.226 26.138 1.00 0.00 C ATOM 1316 O CYS A 33 2.550 6.601 26.726 1.00 0.00 O ATOM 1317 CB CYS A 33 5.276 4.485 26.703 1.00 0.00 C ATOM 1318 SG CYS A 33 3.892 3.358 27.001 1.00 0.00 S ATOM 0 H CYS A 33 4.466 5.414 28.932 1.00 0.00 H new ATOM 0 HA CYS A 33 5.647 6.575 26.522 1.00 0.00 H new ATOM 0 HB2 CYS A 33 5.653 4.345 25.690 1.00 0.00 H new ATOM 0 HB3 CYS A 33 6.095 4.251 27.383 1.00 0.00 H new ATOM 0 HG CYS A 33 4.280 2.391 27.778 1.00 0.00 H new ATOM 1323 N ASN A 34 3.534 6.071 24.847 1.00 0.00 N ATOM 1324 CA ASN A 34 2.281 6.361 24.095 1.00 0.00 C ATOM 1325 C ASN A 34 1.199 5.326 24.426 1.00 0.00 C ATOM 1326 O ASN A 34 0.042 5.663 24.579 1.00 0.00 O ATOM 1327 CB ASN A 34 2.570 6.338 22.593 1.00 0.00 C ATOM 1328 CG ASN A 34 3.022 4.938 22.173 1.00 0.00 C ATOM 1329 OD1 ASN A 34 3.735 4.217 22.995 1.00 0.00 O flip ATOM 1330 ND2 ASN A 34 2.728 4.497 21.080 1.00 0.00 N flip ATOM 0 H ASN A 34 4.325 5.760 24.283 1.00 0.00 H new ATOM 0 HA ASN A 34 1.919 7.347 24.386 1.00 0.00 H new ATOM 0 HB2 ASN A 34 1.677 6.624 22.037 1.00 0.00 H new ATOM 0 HB3 ASN A 34 3.343 7.067 22.351 1.00 0.00 H new ATOM 0 HD21 ASN A 34 2.171 5.059 20.436 1.00 0.00 H new ATOM 0 HD22 ASN A 34 3.038 3.565 20.806 1.00 0.00 H new ATOM 1337 N ALA A 35 1.546 4.070 24.515 1.00 0.00 N ATOM 1338 CA ALA A 35 0.512 3.032 24.806 1.00 0.00 C ATOM 1339 C ALA A 35 -0.157 3.268 26.169 1.00 0.00 C ATOM 1340 O ALA A 35 -1.367 3.337 26.259 1.00 0.00 O ATOM 1341 CB ALA A 35 1.164 1.648 24.778 1.00 0.00 C ATOM 0 H ALA A 35 2.496 3.718 24.400 1.00 0.00 H new ATOM 0 HA ALA A 35 -0.263 3.096 24.042 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.413 0.887 24.990 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.594 1.468 23.793 1.00 0.00 H new ATOM 0 HB3 ALA A 35 1.950 1.601 25.531 1.00 0.00 H new ATOM 1347 N CYS A 36 0.596 3.377 27.234 1.00 0.00 N ATOM 1348 CA CYS A 36 -0.053 3.589 28.566 1.00 0.00 C ATOM 1349 C CYS A 36 -0.894 4.861 28.526 1.00 0.00 C ATOM 1350 O CYS A 36 -2.010 4.897 29.003 1.00 0.00 O ATOM 1351 CB CYS A 36 0.998 3.763 29.667 1.00 0.00 C ATOM 1352 SG CYS A 36 1.905 2.224 29.931 1.00 0.00 S ATOM 0 H CYS A 36 1.615 3.330 27.242 1.00 0.00 H new ATOM 0 HA CYS A 36 -0.669 2.716 28.780 1.00 0.00 H new ATOM 0 HB2 CYS A 36 1.692 4.557 29.392 1.00 0.00 H new ATOM 0 HB3 CYS A 36 0.514 4.069 30.594 1.00 0.00 H new ATOM 0 HG CYS A 36 3.155 2.492 30.165 1.00 0.00 H new ATOM 1357 N GLY A 37 -0.364 5.908 27.963 1.00 0.00 N ATOM 1358 CA GLY A 37 -1.136 7.177 27.899 1.00 0.00 C ATOM 1359 C GLY A 37 -2.425 6.941 27.116 1.00 0.00 C ATOM 1360 O GLY A 37 -3.500 7.326 27.533 1.00 0.00 O ATOM 0 H GLY A 37 0.566 5.940 27.546 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.366 7.528 28.905 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.542 7.954 27.419 1.00 0.00 H new ATOM 1364 N LEU A 38 -2.322 6.315 25.977 1.00 0.00 N ATOM 1365 CA LEU A 38 -3.532 6.054 25.153 1.00 0.00 C ATOM 1366 C LEU A 38 -4.424 4.993 25.809 1.00 0.00 C ATOM 1367 O LEU A 38 -5.591 5.219 26.062 1.00 0.00 O ATOM 1368 CB LEU A 38 -3.083 5.562 23.774 1.00 0.00 C ATOM 1369 CG LEU A 38 -2.350 6.691 23.036 1.00 0.00 C ATOM 1370 CD1 LEU A 38 -1.690 6.129 21.773 1.00 0.00 C ATOM 1371 CD2 LEU A 38 -3.335 7.810 22.653 1.00 0.00 C ATOM 0 H LEU A 38 -1.447 5.972 25.581 1.00 0.00 H new ATOM 0 HA LEU A 38 -4.109 6.974 25.064 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.427 4.698 23.881 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.947 5.236 23.194 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.588 7.108 23.694 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.169 6.930 21.248 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.977 5.352 22.050 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.454 5.705 21.121 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.800 8.603 22.131 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -4.110 7.405 22.002 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.794 8.215 23.555 1.00 0.00 H new ATOM 1383 N PHE A 39 -3.891 3.828 26.065 1.00 0.00 N ATOM 1384 CA PHE A 39 -4.713 2.743 26.677 1.00 0.00 C ATOM 1385 C PHE A 39 -5.259 3.162 28.046 1.00 0.00 C ATOM 1386 O PHE A 39 -6.430 3.007 28.329 1.00 0.00 O ATOM 1387 CB PHE A 39 -3.854 1.489 26.855 1.00 0.00 C ATOM 1388 CG PHE A 39 -4.700 0.380 27.435 1.00 0.00 C ATOM 1389 CD1 PHE A 39 -4.892 0.296 28.820 1.00 0.00 C ATOM 1390 CD2 PHE A 39 -5.299 -0.561 26.588 1.00 0.00 C ATOM 1391 CE1 PHE A 39 -5.681 -0.729 29.356 1.00 0.00 C ATOM 1392 CE2 PHE A 39 -6.087 -1.587 27.126 1.00 0.00 C ATOM 1393 CZ PHE A 39 -6.277 -1.670 28.510 1.00 0.00 C ATOM 0 H PHE A 39 -2.920 3.580 25.876 1.00 0.00 H new ATOM 0 HA PHE A 39 -5.552 2.542 26.011 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -3.438 1.180 25.896 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -3.012 1.702 27.514 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -4.432 1.022 29.474 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -5.153 -0.496 25.520 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -5.830 -0.793 30.424 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -6.548 -2.313 26.473 1.00 0.00 H new ATOM 0 HZ PHE A 39 -6.884 -2.461 28.925 1.00 0.00 H new ATOM 1403 N LEU A 40 -4.417 3.658 28.910 1.00 0.00 N ATOM 1404 CA LEU A 40 -4.889 4.042 30.272 1.00 0.00 C ATOM 1405 C LEU A 40 -5.975 5.118 30.180 1.00 0.00 C ATOM 1406 O LEU A 40 -7.008 5.025 30.811 1.00 0.00 O ATOM 1407 CB LEU A 40 -3.711 4.582 31.091 1.00 0.00 C ATOM 1408 CG LEU A 40 -4.098 4.678 32.574 1.00 0.00 C ATOM 1409 CD1 LEU A 40 -4.148 3.278 33.215 1.00 0.00 C ATOM 1410 CD2 LEU A 40 -3.062 5.537 33.307 1.00 0.00 C ATOM 0 H LEU A 40 -3.425 3.814 28.733 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.305 3.159 30.758 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.847 3.928 30.974 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -3.420 5.564 30.719 1.00 0.00 H new ATOM 0 HG LEU A 40 -5.086 5.131 32.653 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.424 3.369 34.266 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.887 2.667 32.697 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.168 2.807 33.137 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.330 5.610 34.361 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.078 5.078 33.214 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.041 6.535 32.868 1.00 0.00 H new ATOM 1422 N LYS A 41 -5.745 6.147 29.411 1.00 0.00 N ATOM 1423 CA LYS A 41 -6.763 7.232 29.298 1.00 0.00 C ATOM 1424 C LYS A 41 -8.065 6.698 28.691 1.00 0.00 C ATOM 1425 O LYS A 41 -9.147 7.008 29.150 1.00 0.00 O ATOM 1426 CB LYS A 41 -6.223 8.351 28.406 1.00 0.00 C ATOM 1427 CG LYS A 41 -7.220 9.510 28.399 1.00 0.00 C ATOM 1428 CD LYS A 41 -6.647 10.682 27.599 1.00 0.00 C ATOM 1429 CE LYS A 41 -7.717 11.768 27.431 1.00 0.00 C ATOM 1430 NZ LYS A 41 -7.054 13.085 27.219 1.00 0.00 N ATOM 0 H LYS A 41 -4.899 6.284 28.857 1.00 0.00 H new ATOM 0 HA LYS A 41 -6.969 7.613 30.298 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -5.254 8.690 28.773 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -6.068 7.982 27.392 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -8.165 9.187 27.962 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.433 9.825 29.421 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -5.776 11.092 28.110 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -6.309 10.337 26.622 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -8.361 11.532 26.584 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -8.354 11.807 28.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -7.777 13.823 27.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -6.457 13.309 28.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -6.464 13.043 26.364 1.00 0.00 H new ATOM 1444 N LEU A 42 -7.973 5.932 27.638 1.00 0.00 N ATOM 1445 CA LEU A 42 -9.212 5.424 26.978 1.00 0.00 C ATOM 1446 C LEU A 42 -9.926 4.394 27.859 1.00 0.00 C ATOM 1447 O LEU A 42 -11.136 4.391 27.954 1.00 0.00 O ATOM 1448 CB LEU A 42 -8.841 4.767 25.646 1.00 0.00 C ATOM 1449 CG LEU A 42 -8.326 5.821 24.658 1.00 0.00 C ATOM 1450 CD1 LEU A 42 -7.803 5.109 23.406 1.00 0.00 C ATOM 1451 CD2 LEU A 42 -9.453 6.798 24.272 1.00 0.00 C ATOM 0 H LEU A 42 -7.097 5.636 27.207 1.00 0.00 H new ATOM 0 HA LEU A 42 -9.883 6.267 26.815 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -8.077 4.007 25.808 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -9.711 4.261 25.228 1.00 0.00 H new ATOM 0 HG LEU A 42 -7.524 6.393 25.126 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -7.434 5.848 22.695 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.992 4.435 23.683 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -8.610 4.537 22.949 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -9.068 7.538 23.571 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -10.269 6.246 23.806 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -9.820 7.302 25.166 1.00 0.00 H new ATOM 1463 N HIS A 43 -9.205 3.504 28.487 1.00 0.00 N ATOM 1464 CA HIS A 43 -9.877 2.471 29.329 1.00 0.00 C ATOM 1465 C HIS A 43 -10.122 3.006 30.742 1.00 0.00 C ATOM 1466 O HIS A 43 -11.158 2.762 31.330 1.00 0.00 O ATOM 1467 CB HIS A 43 -8.990 1.228 29.404 1.00 0.00 C ATOM 1468 CG HIS A 43 -8.893 0.607 28.038 1.00 0.00 C ATOM 1469 ND1 HIS A 43 -7.850 0.889 27.172 1.00 0.00 N ATOM 1470 CD2 HIS A 43 -9.706 -0.276 27.370 1.00 0.00 C ATOM 1471 CE1 HIS A 43 -8.059 0.190 26.042 1.00 0.00 C ATOM 1472 NE2 HIS A 43 -9.178 -0.537 26.109 1.00 0.00 N ATOM 0 H HIS A 43 -8.187 3.447 28.454 1.00 0.00 H new ATOM 0 HA HIS A 43 -10.837 2.219 28.879 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -7.997 1.496 29.766 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -9.405 0.512 30.113 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -7.065 1.514 27.357 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -10.617 -0.703 27.764 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -7.402 0.214 25.185 1.00 0.00 H new ATOM 1480 N GLY A 44 -9.198 3.741 31.294 1.00 0.00 N ATOM 1481 CA GLY A 44 -9.406 4.290 32.664 1.00 0.00 C ATOM 1482 C GLY A 44 -9.246 3.191 33.719 1.00 0.00 C ATOM 1483 O GLY A 44 -9.531 3.402 34.881 1.00 0.00 O ATOM 0 H GLY A 44 -8.309 3.985 30.857 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -8.690 5.089 32.853 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -10.401 4.729 32.738 1.00 0.00 H new ATOM 1487 N VAL A 45 -8.796 2.022 33.337 1.00 0.00 N ATOM 1488 CA VAL A 45 -8.625 0.919 34.335 1.00 0.00 C ATOM 1489 C VAL A 45 -7.347 0.130 34.048 1.00 0.00 C ATOM 1490 O VAL A 45 -6.965 -0.073 32.913 1.00 0.00 O ATOM 1491 CB VAL A 45 -9.825 -0.027 34.267 1.00 0.00 C ATOM 1492 CG1 VAL A 45 -11.062 0.679 34.827 1.00 0.00 C ATOM 1493 CG2 VAL A 45 -10.086 -0.427 32.812 1.00 0.00 C ATOM 0 H VAL A 45 -8.540 1.783 32.379 1.00 0.00 H new ATOM 0 HA VAL A 45 -8.555 1.359 35.330 1.00 0.00 H new ATOM 0 HB VAL A 45 -9.613 -0.920 34.856 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -11.918 0.006 34.779 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -10.881 0.963 35.864 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -11.269 1.572 34.237 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -10.942 -1.101 32.768 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -10.296 0.465 32.221 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -9.207 -0.930 32.410 1.00 0.00 H new ATOM 1503 N VAL A 46 -6.682 -0.314 35.079 1.00 0.00 N ATOM 1504 CA VAL A 46 -5.428 -1.093 34.885 1.00 0.00 C ATOM 1505 C VAL A 46 -5.712 -2.318 34.018 1.00 0.00 C ATOM 1506 O VAL A 46 -6.816 -2.823 33.971 1.00 0.00 O ATOM 1507 CB VAL A 46 -4.888 -1.550 36.241 1.00 0.00 C ATOM 1508 CG1 VAL A 46 -4.483 -0.328 37.067 1.00 0.00 C ATOM 1509 CG2 VAL A 46 -5.973 -2.331 36.988 1.00 0.00 C ATOM 0 H VAL A 46 -6.955 -0.170 36.051 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.689 -0.461 34.393 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.020 -2.191 36.087 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.098 -0.653 38.033 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.710 0.229 36.538 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.352 0.312 37.219 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -5.587 -2.656 37.954 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -6.842 -1.691 37.141 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -6.263 -3.203 36.401 1.00 0.00 H new ATOM 1519 N ARG A 47 -4.711 -2.804 33.340 1.00 0.00 N ATOM 1520 CA ARG A 47 -4.885 -4.004 32.476 1.00 0.00 C ATOM 1521 C ARG A 47 -3.549 -4.761 32.467 1.00 0.00 C ATOM 1522 O ARG A 47 -2.508 -4.143 32.361 1.00 0.00 O ATOM 1523 CB ARG A 47 -5.255 -3.534 31.060 1.00 0.00 C ATOM 1524 CG ARG A 47 -5.409 -4.718 30.089 1.00 0.00 C ATOM 1525 CD ARG A 47 -6.801 -5.355 30.232 1.00 0.00 C ATOM 1526 NE ARG A 47 -6.716 -6.803 29.888 1.00 0.00 N ATOM 1527 CZ ARG A 47 -7.705 -7.602 30.183 1.00 0.00 C ATOM 1528 NH1 ARG A 47 -8.754 -7.141 30.809 1.00 0.00 N ATOM 1529 NH2 ARG A 47 -7.643 -8.863 29.856 1.00 0.00 N ATOM 0 H ARG A 47 -3.768 -2.416 33.348 1.00 0.00 H new ATOM 0 HA ARG A 47 -5.675 -4.659 32.843 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -6.187 -2.969 31.096 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -4.486 -2.857 30.689 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -5.262 -4.377 29.064 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -4.639 -5.463 30.290 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -7.167 -5.232 31.251 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -7.512 -4.854 29.575 1.00 0.00 H new ATOM 0 HE ARG A 47 -5.886 -7.169 29.422 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -8.801 -6.156 31.068 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -9.526 -7.766 31.039 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -6.822 -9.224 29.370 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -8.415 -9.488 30.086 1.00 0.00 H new ATOM 1543 N PRO A 48 -3.553 -6.073 32.588 1.00 0.00 N ATOM 1544 CA PRO A 48 -2.303 -6.878 32.600 1.00 0.00 C ATOM 1545 C PRO A 48 -1.176 -6.257 31.770 1.00 0.00 C ATOM 1546 O PRO A 48 -1.073 -6.473 30.579 1.00 0.00 O ATOM 1547 CB PRO A 48 -2.762 -8.203 32.001 1.00 0.00 C ATOM 1548 CG PRO A 48 -4.164 -8.373 32.503 1.00 0.00 C ATOM 1549 CD PRO A 48 -4.730 -6.958 32.730 1.00 0.00 C ATOM 0 HA PRO A 48 -1.873 -6.961 33.598 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -2.730 -8.179 30.912 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -2.123 -9.026 32.320 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -4.770 -8.920 31.781 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -4.176 -8.947 33.429 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -5.502 -6.715 32.000 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -5.184 -6.863 33.717 1.00 0.00 H new ATOM 1557 N LEU A 49 -0.316 -5.507 32.403 1.00 0.00 N ATOM 1558 CA LEU A 49 0.818 -4.898 31.656 1.00 0.00 C ATOM 1559 C LEU A 49 1.603 -6.037 31.005 1.00 0.00 C ATOM 1560 O LEU A 49 2.459 -5.828 30.169 1.00 0.00 O ATOM 1561 CB LEU A 49 1.727 -4.116 32.611 1.00 0.00 C ATOM 1562 CG LEU A 49 0.961 -2.945 33.245 1.00 0.00 C ATOM 1563 CD1 LEU A 49 1.825 -2.324 34.346 1.00 0.00 C ATOM 1564 CD2 LEU A 49 0.638 -1.875 32.189 1.00 0.00 C ATOM 0 H LEU A 49 -0.350 -5.291 33.399 1.00 0.00 H new ATOM 0 HA LEU A 49 0.447 -4.204 30.902 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.101 -4.779 33.391 1.00 0.00 H new ATOM 0 HB3 LEU A 49 2.595 -3.740 32.070 1.00 0.00 H new ATOM 0 HG LEU A 49 0.025 -3.317 33.662 1.00 0.00 H new ATOM 0 HD11 LEU A 49 1.290 -1.491 34.802 1.00 0.00 H new ATOM 0 HD12 LEU A 49 2.042 -3.075 35.105 1.00 0.00 H new ATOM 0 HD13 LEU A 49 2.759 -1.963 33.915 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.095 -1.054 32.657 1.00 0.00 H new ATOM 0 HD22 LEU A 49 1.565 -1.498 31.758 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.024 -2.314 31.402 1.00 0.00 H new ATOM 1576 N SER A 50 1.305 -7.247 31.397 1.00 0.00 N ATOM 1577 CA SER A 50 2.013 -8.428 30.826 1.00 0.00 C ATOM 1578 C SER A 50 1.806 -8.462 29.309 1.00 0.00 C ATOM 1579 O SER A 50 2.417 -9.243 28.606 1.00 0.00 O ATOM 1580 CB SER A 50 1.455 -9.708 31.449 1.00 0.00 C ATOM 1581 OG SER A 50 2.362 -10.776 31.217 1.00 0.00 O ATOM 0 H SER A 50 0.595 -7.469 32.095 1.00 0.00 H new ATOM 0 HA SER A 50 3.078 -8.355 31.045 1.00 0.00 H new ATOM 0 HB2 SER A 50 1.304 -9.569 32.520 1.00 0.00 H new ATOM 0 HB3 SER A 50 0.482 -9.942 31.018 1.00 0.00 H new ATOM 0 HG SER A 50 2.615 -10.791 30.270 1.00 0.00 H new ATOM 1587 N LEU A 51 0.962 -7.608 28.800 1.00 0.00 N ATOM 1588 CA LEU A 51 0.727 -7.571 27.328 1.00 0.00 C ATOM 1589 C LEU A 51 1.914 -6.869 26.669 1.00 0.00 C ATOM 1590 O LEU A 51 2.318 -7.195 25.571 1.00 0.00 O ATOM 1591 CB LEU A 51 -0.537 -6.759 27.041 1.00 0.00 C ATOM 1592 CG LEU A 51 -1.758 -7.412 27.708 1.00 0.00 C ATOM 1593 CD1 LEU A 51 -2.857 -6.363 27.884 1.00 0.00 C ATOM 1594 CD2 LEU A 51 -2.298 -8.543 26.824 1.00 0.00 C ATOM 0 H LEU A 51 0.423 -6.932 29.341 1.00 0.00 H new ATOM 0 HA LEU A 51 0.614 -8.584 26.941 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.414 -5.741 27.410 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.696 -6.691 25.965 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.459 -7.815 28.676 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -3.725 -6.822 28.357 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.488 -5.552 28.512 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.142 -5.967 26.909 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.163 -8.999 27.305 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.593 -8.139 25.856 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.523 -9.296 26.682 1.00 0.00 H new ATOM 1606 N LYS A 52 2.463 -5.895 27.339 1.00 0.00 N ATOM 1607 CA LYS A 52 3.619 -5.140 26.775 1.00 0.00 C ATOM 1608 C LYS A 52 4.635 -6.082 26.128 1.00 0.00 C ATOM 1609 O LYS A 52 4.681 -7.268 26.392 1.00 0.00 O ATOM 1610 CB LYS A 52 4.302 -4.340 27.891 1.00 0.00 C ATOM 1611 CG LYS A 52 5.639 -3.776 27.392 1.00 0.00 C ATOM 1612 CD LYS A 52 6.152 -2.721 28.369 1.00 0.00 C ATOM 1613 CE LYS A 52 7.648 -2.489 28.138 1.00 0.00 C ATOM 1614 NZ LYS A 52 7.896 -2.244 26.690 1.00 0.00 N ATOM 0 H LYS A 52 2.158 -5.586 28.262 1.00 0.00 H new ATOM 0 HA LYS A 52 3.242 -4.464 26.007 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.653 -3.526 28.215 1.00 0.00 H new ATOM 0 HB3 LYS A 52 4.469 -4.979 28.758 1.00 0.00 H new ATOM 0 HG2 LYS A 52 6.369 -4.579 27.294 1.00 0.00 H new ATOM 0 HG3 LYS A 52 5.512 -3.337 26.402 1.00 0.00 H new ATOM 0 HD2 LYS A 52 5.604 -1.789 28.233 1.00 0.00 H new ATOM 0 HD3 LYS A 52 5.979 -3.046 29.395 1.00 0.00 H new ATOM 0 HE2 LYS A 52 7.989 -1.637 28.725 1.00 0.00 H new ATOM 0 HE3 LYS A 52 8.217 -3.356 28.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 8.901 -2.020 26.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 7.648 -3.095 26.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 7.312 -1.446 26.368 1.00 0.00 H new ATOM 1628 N THR A 53 5.469 -5.523 25.292 1.00 0.00 N ATOM 1629 CA THR A 53 6.532 -6.312 24.605 1.00 0.00 C ATOM 1630 C THR A 53 7.725 -5.391 24.345 1.00 0.00 C ATOM 1631 O THR A 53 7.617 -4.187 24.458 1.00 0.00 O ATOM 1632 CB THR A 53 6.001 -6.851 23.276 1.00 0.00 C ATOM 1633 OG1 THR A 53 7.095 -7.197 22.439 1.00 0.00 O ATOM 1634 CG2 THR A 53 5.142 -5.785 22.589 1.00 0.00 C ATOM 0 H THR A 53 5.457 -4.532 25.052 1.00 0.00 H new ATOM 0 HA THR A 53 6.834 -7.153 25.229 1.00 0.00 H new ATOM 0 HB THR A 53 5.390 -7.734 23.461 1.00 0.00 H new ATOM 0 HG1 THR A 53 6.758 -7.544 21.587 1.00 0.00 H new ATOM 0 HG21 THR A 53 4.767 -6.175 21.643 1.00 0.00 H new ATOM 0 HG22 THR A 53 4.302 -5.524 23.233 1.00 0.00 H new ATOM 0 HG23 THR A 53 5.745 -4.897 22.402 1.00 0.00 H new ATOM 1642 N ASP A 54 8.861 -5.933 23.992 1.00 0.00 N ATOM 1643 CA ASP A 54 10.053 -5.066 23.723 1.00 0.00 C ATOM 1644 C ASP A 54 10.144 -4.795 22.221 1.00 0.00 C ATOM 1645 O ASP A 54 11.111 -4.240 21.737 1.00 0.00 O ATOM 1646 CB ASP A 54 11.328 -5.773 24.190 1.00 0.00 C ATOM 1647 CG ASP A 54 11.357 -5.822 25.719 1.00 0.00 C ATOM 1648 OD1 ASP A 54 10.662 -5.027 26.331 1.00 0.00 O ATOM 1649 OD2 ASP A 54 12.079 -6.648 26.252 1.00 0.00 O ATOM 0 H ASP A 54 9.018 -6.934 23.878 1.00 0.00 H new ATOM 0 HA ASP A 54 9.948 -4.126 24.265 1.00 0.00 H new ATOM 0 HB2 ASP A 54 11.366 -6.783 23.783 1.00 0.00 H new ATOM 0 HB3 ASP A 54 12.206 -5.246 23.816 1.00 0.00 H new ATOM 1654 N VAL A 55 9.132 -5.177 21.488 1.00 0.00 N ATOM 1655 CA VAL A 55 9.110 -4.946 20.012 1.00 0.00 C ATOM 1656 C VAL A 55 7.822 -4.194 19.671 1.00 0.00 C ATOM 1657 O VAL A 55 6.774 -4.458 20.227 1.00 0.00 O ATOM 1658 CB VAL A 55 9.147 -6.289 19.277 1.00 0.00 C ATOM 1659 CG1 VAL A 55 9.271 -6.048 17.769 1.00 0.00 C ATOM 1660 CG2 VAL A 55 10.354 -7.098 19.763 1.00 0.00 C ATOM 0 H VAL A 55 8.305 -5.648 21.856 1.00 0.00 H new ATOM 0 HA VAL A 55 9.978 -4.362 19.704 1.00 0.00 H new ATOM 0 HB VAL A 55 8.229 -6.840 19.480 1.00 0.00 H new ATOM 0 HG11 VAL A 55 9.297 -7.005 17.248 1.00 0.00 H new ATOM 0 HG12 VAL A 55 8.415 -5.469 17.421 1.00 0.00 H new ATOM 0 HG13 VAL A 55 10.189 -5.498 17.563 1.00 0.00 H new ATOM 0 HG21 VAL A 55 10.384 -8.055 19.242 1.00 0.00 H new ATOM 0 HG22 VAL A 55 11.270 -6.544 19.557 1.00 0.00 H new ATOM 0 HG23 VAL A 55 10.268 -7.271 20.836 1.00 0.00 H new ATOM 1670 N ILE A 56 7.901 -3.247 18.774 1.00 0.00 N ATOM 1671 CA ILE A 56 6.701 -2.443 18.388 1.00 0.00 C ATOM 1672 C ILE A 56 6.400 -2.653 16.906 1.00 0.00 C ATOM 1673 O ILE A 56 7.270 -2.536 16.065 1.00 0.00 O ATOM 1674 CB ILE A 56 6.998 -0.965 18.639 1.00 0.00 C ATOM 1675 CG1 ILE A 56 7.310 -0.761 20.125 1.00 0.00 C ATOM 1676 CG2 ILE A 56 5.786 -0.115 18.239 1.00 0.00 C ATOM 1677 CD1 ILE A 56 7.934 0.620 20.340 1.00 0.00 C ATOM 0 H ILE A 56 8.759 -2.992 18.284 1.00 0.00 H new ATOM 0 HA ILE A 56 5.840 -2.757 18.978 1.00 0.00 H new ATOM 0 HB ILE A 56 7.856 -0.658 18.041 1.00 0.00 H new ATOM 0 HG12 ILE A 56 6.397 -0.853 20.713 1.00 0.00 H new ATOM 0 HG13 ILE A 56 7.993 -1.537 20.472 1.00 0.00 H new ATOM 0 HG21 ILE A 56 6.004 0.937 18.420 1.00 0.00 H new ATOM 0 HG22 ILE A 56 5.570 -0.264 17.181 1.00 0.00 H new ATOM 0 HG23 ILE A 56 4.921 -0.414 18.831 1.00 0.00 H new ATOM 0 HD11 ILE A 56 8.154 0.759 21.399 1.00 0.00 H new ATOM 0 HD12 ILE A 56 8.857 0.696 19.765 1.00 0.00 H new ATOM 0 HD13 ILE A 56 7.237 1.390 20.010 1.00 0.00 H new ATOM 1689 N LYS A 57 5.177 -2.959 16.572 1.00 0.00 N ATOM 1690 CA LYS A 57 4.837 -3.166 15.139 1.00 0.00 C ATOM 1691 C LYS A 57 4.598 -1.812 14.478 1.00 0.00 C ATOM 1692 O LYS A 57 3.906 -0.962 15.004 1.00 0.00 O ATOM 1693 CB LYS A 57 3.576 -4.019 15.009 1.00 0.00 C ATOM 1694 CG LYS A 57 3.401 -4.408 13.537 1.00 0.00 C ATOM 1695 CD LYS A 57 2.155 -5.283 13.355 1.00 0.00 C ATOM 1696 CE LYS A 57 2.467 -6.733 13.742 1.00 0.00 C ATOM 1697 NZ LYS A 57 1.278 -7.583 13.461 1.00 0.00 N ATOM 0 H LYS A 57 4.403 -3.074 17.226 1.00 0.00 H new ATOM 0 HA LYS A 57 5.664 -3.680 14.650 1.00 0.00 H new ATOM 0 HB2 LYS A 57 3.657 -4.911 15.629 1.00 0.00 H new ATOM 0 HB3 LYS A 57 2.706 -3.464 15.360 1.00 0.00 H new ATOM 0 HG2 LYS A 57 3.314 -3.510 12.926 1.00 0.00 H new ATOM 0 HG3 LYS A 57 4.283 -4.945 13.190 1.00 0.00 H new ATOM 0 HD2 LYS A 57 1.340 -4.902 13.971 1.00 0.00 H new ATOM 0 HD3 LYS A 57 1.819 -5.239 12.319 1.00 0.00 H new ATOM 0 HE2 LYS A 57 3.328 -7.094 13.180 1.00 0.00 H new ATOM 0 HE3 LYS A 57 2.729 -6.791 14.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 1.486 -8.568 13.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 0.468 -7.241 14.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 1.048 -7.535 12.448 1.00 0.00 H new ATOM 1711 N LYS A 58 5.156 -1.614 13.318 1.00 0.00 N ATOM 1712 CA LYS A 58 4.956 -0.325 12.600 1.00 0.00 C ATOM 1713 C LYS A 58 3.663 -0.404 11.792 1.00 0.00 C ATOM 1714 O LYS A 58 3.458 -1.324 11.024 1.00 0.00 O ATOM 1715 CB LYS A 58 6.144 -0.078 11.668 1.00 0.00 C ATOM 1716 CG LYS A 58 7.384 0.236 12.509 1.00 0.00 C ATOM 1717 CD LYS A 58 8.605 0.413 11.597 1.00 0.00 C ATOM 1718 CE LYS A 58 8.440 1.654 10.704 1.00 0.00 C ATOM 1719 NZ LYS A 58 7.836 1.249 9.404 1.00 0.00 N ATOM 0 H LYS A 58 5.745 -2.292 12.834 1.00 0.00 H new ATOM 0 HA LYS A 58 4.887 0.497 13.313 1.00 0.00 H new ATOM 0 HB2 LYS A 58 6.323 -0.956 11.047 1.00 0.00 H new ATOM 0 HB3 LYS A 58 5.927 0.751 10.994 1.00 0.00 H new ATOM 0 HG2 LYS A 58 7.219 1.143 13.090 1.00 0.00 H new ATOM 0 HG3 LYS A 58 7.565 -0.570 13.220 1.00 0.00 H new ATOM 0 HD2 LYS A 58 9.506 0.511 12.202 1.00 0.00 H new ATOM 0 HD3 LYS A 58 8.733 -0.474 10.976 1.00 0.00 H new ATOM 0 HE2 LYS A 58 7.807 2.390 11.199 1.00 0.00 H new ATOM 0 HE3 LYS A 58 9.408 2.127 10.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 8.519 1.415 8.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 7.589 0.239 9.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 6.978 1.810 9.230 1.00 0.00 H new ATOM 1733 N ARG A 59 2.776 0.540 11.970 1.00 0.00 N ATOM 1734 CA ARG A 59 1.483 0.507 11.229 1.00 0.00 C ATOM 1735 C ARG A 59 1.574 1.397 9.991 1.00 0.00 C ATOM 1736 O ARG A 59 2.520 2.137 9.803 1.00 0.00 O ATOM 1737 CB ARG A 59 0.361 1.025 12.136 1.00 0.00 C ATOM 1738 CG ARG A 59 0.221 0.142 13.386 1.00 0.00 C ATOM 1739 CD ARG A 59 -0.444 -1.199 13.043 1.00 0.00 C ATOM 1740 NE ARG A 59 -1.678 -0.975 12.224 1.00 0.00 N ATOM 1741 CZ ARG A 59 -2.660 -0.225 12.648 1.00 0.00 C ATOM 1742 NH1 ARG A 59 -2.679 0.212 13.877 1.00 0.00 N ATOM 1743 NH2 ARG A 59 -3.658 0.043 11.851 1.00 0.00 N ATOM 0 H ARG A 59 2.893 1.334 12.599 1.00 0.00 H new ATOM 0 HA ARG A 59 1.271 -0.518 10.926 1.00 0.00 H new ATOM 0 HB2 ARG A 59 0.572 2.053 12.432 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -0.580 1.038 11.587 1.00 0.00 H new ATOM 0 HG2 ARG A 59 1.204 -0.037 13.821 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -0.371 0.663 14.139 1.00 0.00 H new ATOM 0 HD2 ARG A 59 0.255 -1.829 12.494 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -0.700 -1.731 13.960 1.00 0.00 H new ATOM 0 HE ARG A 59 -1.754 -1.421 11.310 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -1.923 -0.031 14.517 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -3.450 0.797 14.198 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -3.668 -0.333 10.903 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -4.428 0.628 12.176 1.00 0.00 H new ATOM 1757 N ASN A 60 0.584 1.319 9.149 1.00 0.00 N ATOM 1758 CA ASN A 60 0.571 2.140 7.909 1.00 0.00 C ATOM 1759 C ASN A 60 -0.019 3.510 8.231 1.00 0.00 C ATOM 1760 O ASN A 60 0.003 3.949 9.363 1.00 0.00 O ATOM 1761 CB ASN A 60 -0.287 1.442 6.852 1.00 0.00 C ATOM 1762 CG ASN A 60 -1.743 1.414 7.320 1.00 0.00 C ATOM 1763 OD1 ASN A 60 -2.017 1.558 8.495 1.00 0.00 O ATOM 1764 ND2 ASN A 60 -2.695 1.235 6.448 1.00 0.00 N ATOM 0 H ASN A 60 -0.228 0.713 9.269 1.00 0.00 H new ATOM 0 HA ASN A 60 1.585 2.259 7.527 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -0.209 1.967 5.900 1.00 0.00 H new ATOM 0 HB3 ASN A 60 0.074 0.427 6.687 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -3.668 1.216 6.752 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -2.467 1.114 5.461 1.00 0.00 H new