USER MOD reduce.3.24.130724 H: found=0, std=0, add=411, rem=0, adj=15 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 158:sc= 1.3 USER MOD Set 1.2: A 15 CYS SG : rot 77:sc= 0.551! USER MOD Set 1.3: A 17 THR OG1 : rot 129:sc= -1.82! USER MOD Set 1.4: A 20 THR OG1 : rot -117:sc= -0.344 USER MOD Set 1.5: A 33 CYS SG : rot -133:sc= 1.13 USER MOD Set 1.6: A 34 ASN : amide:sc= -1.71! C(o=-0.72!,f=-12!) USER MOD Set 1.7: A 36 CYS SG : rot 146:sc= 0.172 USER MOD Single : A 11 THR OG1 : rot 41:sc= 0.0442 USER MOD Single : A 13 THR OG1 : rot 170:sc= 0.0221 USER MOD Single : A 14 ASN : amide:sc= -3.19! C(o=-3.2!,f=-3.8!) USER MOD Single : A 18 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -2.67! C(o=-2.7!,f=-13!) USER MOD Single : A 30 GLN : amide:sc= -1.27 K(o=-1.3,f=-0.21) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HE2:sc= -7.25! C(o=-7.3!,f=-9.9!) USER MOD Single : A 50 SER OG : rot 180:sc=-0.000616 USER MOD Single : A 52 LYS NZ :NH3+ 165:sc= -0.172 (180deg=-0.721) USER MOD Single : A 53 THR OG1 : rot -143:sc= 0.0871 USER MOD Single : A 57 LYS NZ :NH3+ 157:sc= -0.0702 (180deg=-0.664) USER MOD Single : A 58 LYS NZ :NH3+ 136:sc= -0.038 (180deg=-0.487) USER MOD Single : A 60 ASN : amide:sc= -1.38! C(o=-1.4!,f=-5.5!) USER MOD ----------------------------------------------------------------- ATOM 970 N THR A 11 11.878 7.297 31.235 1.00 0.00 N ATOM 971 CA THR A 11 11.443 5.867 31.262 1.00 0.00 C ATOM 972 C THR A 11 9.962 5.784 31.627 1.00 0.00 C ATOM 973 O THR A 11 9.479 6.517 32.467 1.00 0.00 O ATOM 974 CB THR A 11 12.266 5.118 32.313 1.00 0.00 C ATOM 975 OG1 THR A 11 13.628 5.092 31.910 1.00 0.00 O ATOM 976 CG2 THR A 11 11.747 3.688 32.460 1.00 0.00 C ATOM 0 HA THR A 11 11.595 5.420 30.280 1.00 0.00 H new ATOM 0 HB THR A 11 12.177 5.628 33.272 1.00 0.00 H new ATOM 0 HG1 THR A 11 13.877 5.965 31.542 1.00 0.00 H new ATOM 0 HG21 THR A 11 12.338 3.162 33.210 1.00 0.00 H new ATOM 0 HG22 THR A 11 10.703 3.710 32.771 1.00 0.00 H new ATOM 0 HG23 THR A 11 11.830 3.171 31.504 1.00 0.00 H new ATOM 984 N CYS A 12 9.234 4.893 31.010 1.00 0.00 N ATOM 985 CA CYS A 12 7.787 4.770 31.337 1.00 0.00 C ATOM 986 C CYS A 12 7.629 4.233 32.757 1.00 0.00 C ATOM 987 O CYS A 12 7.892 3.080 33.034 1.00 0.00 O ATOM 988 CB CYS A 12 7.106 3.815 30.363 1.00 0.00 C ATOM 989 SG CYS A 12 5.313 4.034 30.489 1.00 0.00 S ATOM 0 H CYS A 12 9.577 4.249 30.298 1.00 0.00 H new ATOM 0 HA CYS A 12 7.324 5.753 31.258 1.00 0.00 H new ATOM 0 HB2 CYS A 12 7.440 4.013 29.344 1.00 0.00 H new ATOM 0 HB3 CYS A 12 7.377 2.785 30.593 1.00 0.00 H new ATOM 0 HG CYS A 12 4.747 3.620 29.394 1.00 0.00 H new ATOM 994 N THR A 13 7.195 5.067 33.654 1.00 0.00 N ATOM 995 CA THR A 13 7.014 4.630 35.061 1.00 0.00 C ATOM 996 C THR A 13 5.911 3.573 35.152 1.00 0.00 C ATOM 997 O THR A 13 5.728 2.959 36.184 1.00 0.00 O ATOM 998 CB THR A 13 6.646 5.842 35.917 1.00 0.00 C ATOM 999 OG1 THR A 13 5.653 6.607 35.249 1.00 0.00 O ATOM 1000 CG2 THR A 13 7.891 6.702 36.145 1.00 0.00 C ATOM 0 H THR A 13 6.956 6.042 33.471 1.00 0.00 H new ATOM 0 HA THR A 13 7.943 4.191 35.425 1.00 0.00 H new ATOM 0 HB THR A 13 6.258 5.506 36.879 1.00 0.00 H new ATOM 0 HG1 THR A 13 5.300 7.289 35.858 1.00 0.00 H new ATOM 0 HG21 THR A 13 7.629 7.566 36.755 1.00 0.00 H new ATOM 0 HG22 THR A 13 8.651 6.113 36.658 1.00 0.00 H new ATOM 0 HG23 THR A 13 8.280 7.040 35.185 1.00 0.00 H new ATOM 1008 N ASN A 14 5.167 3.350 34.095 1.00 0.00 N ATOM 1009 CA ASN A 14 4.076 2.330 34.150 1.00 0.00 C ATOM 1010 C ASN A 14 4.533 1.010 33.518 1.00 0.00 C ATOM 1011 O ASN A 14 4.100 -0.048 33.931 1.00 0.00 O ATOM 1012 CB ASN A 14 2.850 2.854 33.400 1.00 0.00 C ATOM 1013 CG ASN A 14 2.180 3.953 34.227 1.00 0.00 C ATOM 1014 OD1 ASN A 14 2.573 4.205 35.349 1.00 0.00 O ATOM 1015 ND2 ASN A 14 1.172 4.615 33.727 1.00 0.00 N ATOM 0 H ASN A 14 5.269 3.829 33.200 1.00 0.00 H new ATOM 0 HA ASN A 14 3.824 2.148 35.195 1.00 0.00 H new ATOM 0 HB2 ASN A 14 3.145 3.245 32.426 1.00 0.00 H new ATOM 0 HB3 ASN A 14 2.147 2.041 33.217 1.00 0.00 H new ATOM 0 HD21 ASN A 14 0.716 5.342 34.278 1.00 0.00 H new ATOM 0 HD22 ASN A 14 0.841 4.405 32.785 1.00 0.00 H new ATOM 1022 N CYS A 15 5.382 1.041 32.514 1.00 0.00 N ATOM 1023 CA CYS A 15 5.823 -0.242 31.875 1.00 0.00 C ATOM 1024 C CYS A 15 7.316 -0.208 31.534 1.00 0.00 C ATOM 1025 O CYS A 15 7.798 -1.032 30.782 1.00 0.00 O ATOM 1026 CB CYS A 15 5.003 -0.500 30.607 1.00 0.00 C ATOM 1027 SG CYS A 15 5.599 0.537 29.251 1.00 0.00 S ATOM 0 H CYS A 15 5.784 1.889 32.114 1.00 0.00 H new ATOM 0 HA CYS A 15 5.657 -1.051 32.587 1.00 0.00 H new ATOM 0 HB2 CYS A 15 5.074 -1.551 30.328 1.00 0.00 H new ATOM 0 HB3 CYS A 15 3.950 -0.291 30.798 1.00 0.00 H new ATOM 0 HG CYS A 15 6.696 0.032 28.769 1.00 0.00 H new ATOM 1032 N PHE A 16 8.057 0.709 32.095 1.00 0.00 N ATOM 1033 CA PHE A 16 9.526 0.764 31.834 1.00 0.00 C ATOM 1034 C PHE A 16 9.846 0.876 30.338 1.00 0.00 C ATOM 1035 O PHE A 16 10.993 0.784 29.949 1.00 0.00 O ATOM 1036 CB PHE A 16 10.190 -0.495 32.397 1.00 0.00 C ATOM 1037 CG PHE A 16 9.950 -0.578 33.886 1.00 0.00 C ATOM 1038 CD1 PHE A 16 10.809 0.083 34.772 1.00 0.00 C ATOM 1039 CD2 PHE A 16 8.871 -1.320 34.382 1.00 0.00 C ATOM 1040 CE1 PHE A 16 10.589 0.004 36.153 1.00 0.00 C ATOM 1041 CE2 PHE A 16 8.651 -1.400 35.762 1.00 0.00 C ATOM 1042 CZ PHE A 16 9.510 -0.738 36.647 1.00 0.00 C ATOM 0 H PHE A 16 7.706 1.428 32.728 1.00 0.00 H new ATOM 0 HA PHE A 16 9.914 1.657 32.325 1.00 0.00 H new ATOM 0 HB2 PHE A 16 9.788 -1.380 31.905 1.00 0.00 H new ATOM 0 HB3 PHE A 16 11.260 -0.475 32.192 1.00 0.00 H new ATOM 0 HD1 PHE A 16 11.642 0.654 34.390 1.00 0.00 H new ATOM 0 HD2 PHE A 16 8.208 -1.831 33.699 1.00 0.00 H new ATOM 0 HE1 PHE A 16 11.251 0.515 36.836 1.00 0.00 H new ATOM 0 HE2 PHE A 16 7.819 -1.972 36.144 1.00 0.00 H new ATOM 0 HZ PHE A 16 9.340 -0.800 37.712 1.00 0.00 H new ATOM 1052 N THR A 17 8.871 1.039 29.484 1.00 0.00 N ATOM 1053 CA THR A 17 9.189 1.110 28.026 1.00 0.00 C ATOM 1054 C THR A 17 10.168 2.256 27.751 1.00 0.00 C ATOM 1055 O THR A 17 9.886 3.406 28.013 1.00 0.00 O ATOM 1056 CB THR A 17 7.895 1.341 27.225 1.00 0.00 C ATOM 1057 OG1 THR A 17 7.156 0.133 27.172 1.00 0.00 O ATOM 1058 CG2 THR A 17 8.215 1.795 25.796 1.00 0.00 C ATOM 0 H THR A 17 7.884 1.125 29.726 1.00 0.00 H new ATOM 0 HA THR A 17 9.647 0.169 27.721 1.00 0.00 H new ATOM 0 HB THR A 17 7.314 2.119 27.720 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.234 0.301 27.457 1.00 0.00 H new ATOM 0 HG21 THR A 17 7.286 1.952 25.248 1.00 0.00 H new ATOM 0 HG22 THR A 17 8.780 2.727 25.828 1.00 0.00 H new ATOM 0 HG23 THR A 17 8.807 1.029 25.295 1.00 0.00 H new ATOM 1066 N GLN A 18 11.307 1.936 27.189 1.00 0.00 N ATOM 1067 CA GLN A 18 12.315 2.981 26.844 1.00 0.00 C ATOM 1068 C GLN A 18 12.175 3.305 25.355 1.00 0.00 C ATOM 1069 O GLN A 18 12.645 4.320 24.877 1.00 0.00 O ATOM 1070 CB GLN A 18 13.724 2.447 27.131 1.00 0.00 C ATOM 1071 CG GLN A 18 14.771 3.512 26.780 1.00 0.00 C ATOM 1072 CD GLN A 18 16.168 2.999 27.142 1.00 0.00 C ATOM 1073 OE1 GLN A 18 16.306 1.982 27.790 1.00 0.00 O ATOM 1074 NE2 GLN A 18 17.222 3.658 26.739 1.00 0.00 N ATOM 0 H GLN A 18 11.583 0.983 26.952 1.00 0.00 H new ATOM 0 HA GLN A 18 12.152 3.879 27.440 1.00 0.00 H new ATOM 0 HB2 GLN A 18 13.811 2.173 28.182 1.00 0.00 H new ATOM 0 HB3 GLN A 18 13.904 1.543 26.550 1.00 0.00 H new ATOM 0 HG2 GLN A 18 14.723 3.747 25.717 1.00 0.00 H new ATOM 0 HG3 GLN A 18 14.560 4.435 27.320 1.00 0.00 H new ATOM 0 HE21 GLN A 18 17.111 4.513 26.194 1.00 0.00 H new ATOM 0 HE22 GLN A 18 18.155 3.317 26.969 1.00 0.00 H new ATOM 1083 N THR A 19 11.509 2.447 24.625 1.00 0.00 N ATOM 1084 CA THR A 19 11.300 2.669 23.162 1.00 0.00 C ATOM 1085 C THR A 19 9.828 3.012 22.917 1.00 0.00 C ATOM 1086 O THR A 19 8.939 2.276 23.297 1.00 0.00 O ATOM 1087 CB THR A 19 11.668 1.391 22.398 1.00 0.00 C ATOM 1088 OG1 THR A 19 12.969 0.973 22.786 1.00 0.00 O ATOM 1089 CG2 THR A 19 11.652 1.673 20.894 1.00 0.00 C ATOM 0 H THR A 19 11.095 1.588 24.987 1.00 0.00 H new ATOM 0 HA THR A 19 11.929 3.489 22.815 1.00 0.00 H new ATOM 0 HB THR A 19 10.946 0.607 22.627 1.00 0.00 H new ATOM 0 HG1 THR A 19 13.208 0.155 22.301 1.00 0.00 H new ATOM 0 HG21 THR A 19 11.914 0.765 20.351 1.00 0.00 H new ATOM 0 HG22 THR A 19 10.656 2.000 20.596 1.00 0.00 H new ATOM 0 HG23 THR A 19 12.375 2.455 20.663 1.00 0.00 H new ATOM 1097 N THR A 20 9.561 4.126 22.290 1.00 0.00 N ATOM 1098 CA THR A 20 8.146 4.514 22.032 1.00 0.00 C ATOM 1099 C THR A 20 8.106 5.623 20.970 1.00 0.00 C ATOM 1100 O THR A 20 8.989 6.456 20.917 1.00 0.00 O ATOM 1101 CB THR A 20 7.527 5.027 23.338 1.00 0.00 C ATOM 1102 OG1 THR A 20 6.216 5.512 23.089 1.00 0.00 O ATOM 1103 CG2 THR A 20 8.383 6.158 23.914 1.00 0.00 C ATOM 0 H THR A 20 10.261 4.783 21.946 1.00 0.00 H new ATOM 0 HA THR A 20 7.583 3.653 21.671 1.00 0.00 H new ATOM 0 HB THR A 20 7.484 4.206 24.054 1.00 0.00 H new ATOM 0 HG1 THR A 20 6.177 6.470 23.293 1.00 0.00 H new ATOM 0 HG21 THR A 20 7.936 6.516 24.841 1.00 0.00 H new ATOM 0 HG22 THR A 20 9.388 5.787 24.115 1.00 0.00 H new ATOM 0 HG23 THR A 20 8.435 6.977 23.196 1.00 0.00 H new ATOM 1111 N PRO A 21 7.099 5.648 20.130 1.00 0.00 N ATOM 1112 CA PRO A 21 6.976 6.690 19.066 1.00 0.00 C ATOM 1113 C PRO A 21 6.753 8.086 19.659 1.00 0.00 C ATOM 1114 O PRO A 21 7.040 9.089 19.037 1.00 0.00 O ATOM 1115 CB PRO A 21 5.763 6.238 18.238 1.00 0.00 C ATOM 1116 CG PRO A 21 4.961 5.379 19.162 1.00 0.00 C ATOM 1117 CD PRO A 21 5.970 4.700 20.088 1.00 0.00 C ATOM 0 HA PRO A 21 7.884 6.776 18.469 1.00 0.00 H new ATOM 0 HB2 PRO A 21 5.182 7.092 17.890 1.00 0.00 H new ATOM 0 HB3 PRO A 21 6.074 5.682 17.353 1.00 0.00 H new ATOM 0 HG2 PRO A 21 4.250 5.977 19.732 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.384 4.641 18.606 1.00 0.00 H new ATOM 0 HD2 PRO A 21 5.552 4.531 21.080 1.00 0.00 H new ATOM 0 HD3 PRO A 21 6.277 3.728 19.702 1.00 0.00 H new ATOM 1125 N VAL A 22 6.237 8.156 20.855 1.00 0.00 N ATOM 1126 CA VAL A 22 5.990 9.487 21.474 1.00 0.00 C ATOM 1127 C VAL A 22 5.762 9.330 22.977 1.00 0.00 C ATOM 1128 O VAL A 22 5.125 8.400 23.433 1.00 0.00 O ATOM 1129 CB VAL A 22 4.761 10.131 20.828 1.00 0.00 C ATOM 1130 CG1 VAL A 22 3.542 9.231 21.033 1.00 0.00 C ATOM 1131 CG2 VAL A 22 4.503 11.496 21.470 1.00 0.00 C ATOM 0 H VAL A 22 5.977 7.353 21.428 1.00 0.00 H new ATOM 0 HA VAL A 22 6.860 10.124 21.313 1.00 0.00 H new ATOM 0 HB VAL A 22 4.939 10.259 19.760 1.00 0.00 H new ATOM 0 HG11 VAL A 22 2.668 9.692 20.572 1.00 0.00 H new ATOM 0 HG12 VAL A 22 3.725 8.260 20.573 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.362 9.099 22.100 1.00 0.00 H new ATOM 0 HG21 VAL A 22 3.628 11.955 21.010 1.00 0.00 H new ATOM 0 HG22 VAL A 22 4.327 11.368 22.538 1.00 0.00 H new ATOM 0 HG23 VAL A 22 5.371 12.139 21.320 1.00 0.00 H new ATOM 1141 N TRP A 23 6.293 10.242 23.744 1.00 0.00 N ATOM 1142 CA TRP A 23 6.138 10.181 25.225 1.00 0.00 C ATOM 1143 C TRP A 23 4.870 10.922 25.654 1.00 0.00 C ATOM 1144 O TRP A 23 4.609 12.027 25.220 1.00 0.00 O ATOM 1145 CB TRP A 23 7.347 10.842 25.886 1.00 0.00 C ATOM 1146 CG TRP A 23 8.555 9.978 25.709 1.00 0.00 C ATOM 1147 CD1 TRP A 23 9.526 10.177 24.789 1.00 0.00 C ATOM 1148 CD2 TRP A 23 8.934 8.787 26.454 1.00 0.00 C ATOM 1149 NE1 TRP A 23 10.482 9.190 24.929 1.00 0.00 N ATOM 1150 CE2 TRP A 23 10.161 8.306 25.938 1.00 0.00 C ATOM 1151 CE3 TRP A 23 8.340 8.083 27.516 1.00 0.00 C ATOM 1152 CZ2 TRP A 23 10.778 7.169 26.459 1.00 0.00 C ATOM 1153 CZ3 TRP A 23 8.957 6.936 28.042 1.00 0.00 C ATOM 1154 CH2 TRP A 23 10.173 6.481 27.515 1.00 0.00 C ATOM 0 H TRP A 23 6.834 11.037 23.403 1.00 0.00 H new ATOM 0 HA TRP A 23 6.066 9.137 25.531 1.00 0.00 H new ATOM 0 HB2 TRP A 23 7.523 11.824 25.446 1.00 0.00 H new ATOM 0 HB3 TRP A 23 7.153 10.999 26.947 1.00 0.00 H new ATOM 0 HD1 TRP A 23 9.550 10.977 24.064 1.00 0.00 H new ATOM 0 HE1 TRP A 23 11.323 9.123 24.356 1.00 0.00 H new ATOM 0 HE3 TRP A 23 7.403 8.426 27.930 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 11.716 6.823 26.050 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 8.492 6.402 28.857 1.00 0.00 H new ATOM 0 HH2 TRP A 23 10.643 5.599 27.925 1.00 0.00 H new ATOM 1165 N ARG A 24 4.084 10.318 26.506 1.00 0.00 N ATOM 1166 CA ARG A 24 2.826 10.965 26.985 1.00 0.00 C ATOM 1167 C ARG A 24 3.044 11.498 28.401 1.00 0.00 C ATOM 1168 O ARG A 24 4.038 11.209 29.037 1.00 0.00 O ATOM 1169 CB ARG A 24 1.698 9.927 27.005 1.00 0.00 C ATOM 1170 CG ARG A 24 1.463 9.366 25.595 1.00 0.00 C ATOM 1171 CD ARG A 24 0.586 10.318 24.774 1.00 0.00 C ATOM 1172 NE ARG A 24 0.569 9.883 23.351 1.00 0.00 N ATOM 1173 CZ ARG A 24 -0.386 10.284 22.556 1.00 0.00 C ATOM 1174 NH1 ARG A 24 -1.399 10.956 23.031 1.00 0.00 N ATOM 1175 NH2 ARG A 24 -0.341 9.991 21.286 1.00 0.00 N ATOM 0 H ARG A 24 4.262 9.392 26.895 1.00 0.00 H new ATOM 0 HA ARG A 24 2.558 11.785 26.319 1.00 0.00 H new ATOM 0 HB2 ARG A 24 1.953 9.117 27.688 1.00 0.00 H new ATOM 0 HB3 ARG A 24 0.782 10.383 27.379 1.00 0.00 H new ATOM 0 HG2 ARG A 24 2.419 9.219 25.092 1.00 0.00 H new ATOM 0 HG3 ARG A 24 0.985 8.389 25.662 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -0.428 10.329 25.173 1.00 0.00 H new ATOM 0 HD3 ARG A 24 0.969 11.336 24.849 1.00 0.00 H new ATOM 0 HE ARG A 24 1.304 9.271 22.996 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -1.447 11.170 24.027 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -2.143 11.267 22.406 1.00 0.00 H new ATOM 0 HH21 ARG A 24 0.440 9.449 20.915 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -1.086 10.304 20.664 1.00 0.00 H new ATOM 1189 N ARG A 25 2.123 12.284 28.895 1.00 0.00 N ATOM 1190 CA ARG A 25 2.266 12.859 30.266 1.00 0.00 C ATOM 1191 C ARG A 25 0.924 12.763 30.998 1.00 0.00 C ATOM 1192 O ARG A 25 -0.117 12.608 30.390 1.00 0.00 O ATOM 1193 CB ARG A 25 2.698 14.320 30.145 1.00 0.00 C ATOM 1194 CG ARG A 25 4.063 14.374 29.455 1.00 0.00 C ATOM 1195 CD ARG A 25 4.594 15.807 29.471 1.00 0.00 C ATOM 1196 NE ARG A 25 5.683 15.957 28.455 1.00 0.00 N ATOM 1197 CZ ARG A 25 6.740 15.186 28.459 1.00 0.00 C ATOM 1198 NH1 ARG A 25 6.967 14.368 29.450 1.00 0.00 N ATOM 1199 NH2 ARG A 25 7.611 15.276 27.490 1.00 0.00 N ATOM 0 H ARG A 25 1.271 12.554 28.403 1.00 0.00 H new ATOM 0 HA ARG A 25 3.016 12.306 30.831 1.00 0.00 H new ATOM 0 HB2 ARG A 25 1.963 14.885 29.572 1.00 0.00 H new ATOM 0 HB3 ARG A 25 2.755 14.780 31.132 1.00 0.00 H new ATOM 0 HG2 ARG A 25 4.764 13.711 29.962 1.00 0.00 H new ATOM 0 HG3 ARG A 25 3.976 14.020 28.428 1.00 0.00 H new ATOM 0 HD2 ARG A 25 3.786 16.506 29.257 1.00 0.00 H new ATOM 0 HD3 ARG A 25 4.973 16.053 30.463 1.00 0.00 H new ATOM 0 HE ARG A 25 5.599 16.680 27.740 1.00 0.00 H new ATOM 0 HH11 ARG A 25 6.316 14.324 30.234 1.00 0.00 H new ATOM 0 HH12 ARG A 25 7.795 13.772 29.440 1.00 0.00 H new ATOM 0 HH21 ARG A 25 7.466 15.945 26.734 1.00 0.00 H new ATOM 0 HH22 ARG A 25 8.437 14.677 27.489 1.00 0.00 H new ATOM 1213 N ASN A 26 0.950 12.839 32.304 1.00 0.00 N ATOM 1214 CA ASN A 26 -0.305 12.735 33.114 1.00 0.00 C ATOM 1215 C ASN A 26 -0.356 13.922 34.087 1.00 0.00 C ATOM 1216 O ASN A 26 0.678 14.383 34.521 1.00 0.00 O ATOM 1217 CB ASN A 26 -0.241 11.416 33.901 1.00 0.00 C ATOM 1218 CG ASN A 26 -1.252 11.414 35.052 1.00 0.00 C ATOM 1219 OD1 ASN A 26 -1.129 12.182 35.984 1.00 0.00 O ATOM 1220 ND2 ASN A 26 -2.254 10.576 35.023 1.00 0.00 N ATOM 0 H ASN A 26 1.800 12.971 32.853 1.00 0.00 H new ATOM 0 HA ASN A 26 -1.192 12.751 32.481 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -0.444 10.579 33.233 1.00 0.00 H new ATOM 0 HB3 ASN A 26 0.765 11.272 34.295 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -2.933 10.567 35.784 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -2.357 9.931 34.240 1.00 0.00 H new ATOM 1227 N PRO A 27 -1.524 14.420 34.444 1.00 0.00 N ATOM 1228 CA PRO A 27 -1.645 15.557 35.411 1.00 0.00 C ATOM 1229 C PRO A 27 -0.730 15.428 36.644 1.00 0.00 C ATOM 1230 O PRO A 27 -0.681 16.313 37.474 1.00 0.00 O ATOM 1231 CB PRO A 27 -3.117 15.513 35.826 1.00 0.00 C ATOM 1232 CG PRO A 27 -3.829 14.978 34.629 1.00 0.00 C ATOM 1233 CD PRO A 27 -2.859 13.994 33.959 1.00 0.00 C ATOM 0 HA PRO A 27 -1.335 16.496 34.952 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -3.265 14.872 36.695 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -3.483 16.504 36.095 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -4.754 14.478 34.917 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -4.101 15.783 33.946 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -3.076 12.964 34.242 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -2.924 14.047 32.872 1.00 0.00 H new ATOM 1241 N GLU A 28 0.016 14.359 36.763 1.00 0.00 N ATOM 1242 CA GLU A 28 0.949 14.206 37.922 1.00 0.00 C ATOM 1243 C GLU A 28 2.351 14.626 37.469 1.00 0.00 C ATOM 1244 O GLU A 28 3.240 14.850 38.266 1.00 0.00 O ATOM 1245 CB GLU A 28 0.967 12.745 38.375 1.00 0.00 C ATOM 1246 CG GLU A 28 -0.342 12.426 39.100 1.00 0.00 C ATOM 1247 CD GLU A 28 -0.375 10.943 39.473 1.00 0.00 C ATOM 1248 OE1 GLU A 28 0.487 10.215 39.007 1.00 0.00 O ATOM 1249 OE2 GLU A 28 -1.263 10.559 40.217 1.00 0.00 O ATOM 0 H GLU A 28 0.019 13.581 36.104 1.00 0.00 H new ATOM 0 HA GLU A 28 0.623 14.829 38.755 1.00 0.00 H new ATOM 0 HB2 GLU A 28 1.090 12.087 37.515 1.00 0.00 H new ATOM 0 HB3 GLU A 28 1.815 12.567 39.036 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -0.431 13.039 39.997 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -1.191 12.670 38.462 1.00 0.00 H new ATOM 1256 N GLY A 29 2.542 14.730 36.183 1.00 0.00 N ATOM 1257 CA GLY A 29 3.868 15.134 35.638 1.00 0.00 C ATOM 1258 C GLY A 29 4.778 13.913 35.498 1.00 0.00 C ATOM 1259 O GLY A 29 5.951 14.037 35.205 1.00 0.00 O ATOM 0 H GLY A 29 1.827 14.550 35.478 1.00 0.00 H new ATOM 0 HA2 GLY A 29 3.739 15.613 34.668 1.00 0.00 H new ATOM 0 HA3 GLY A 29 4.332 15.868 36.297 1.00 0.00 H new ATOM 1263 N GLN A 30 4.253 12.731 35.682 1.00 0.00 N ATOM 1264 CA GLN A 30 5.106 11.518 35.531 1.00 0.00 C ATOM 1265 C GLN A 30 5.207 11.181 34.040 1.00 0.00 C ATOM 1266 O GLN A 30 4.292 11.450 33.288 1.00 0.00 O ATOM 1267 CB GLN A 30 4.475 10.339 36.275 1.00 0.00 C ATOM 1268 CG GLN A 30 3.051 10.112 35.765 1.00 0.00 C ATOM 1269 CD GLN A 30 2.395 8.997 36.580 1.00 0.00 C ATOM 1270 OE1 GLN A 30 1.671 8.181 36.046 1.00 0.00 O ATOM 1271 NE2 GLN A 30 2.620 8.929 37.864 1.00 0.00 N ATOM 0 H GLN A 30 3.279 12.554 35.928 1.00 0.00 H new ATOM 0 HA GLN A 30 6.096 11.708 35.947 1.00 0.00 H new ATOM 0 HB2 GLN A 30 5.073 9.440 36.126 1.00 0.00 H new ATOM 0 HB3 GLN A 30 4.461 10.538 37.347 1.00 0.00 H new ATOM 0 HG2 GLN A 30 2.471 11.031 35.851 1.00 0.00 H new ATOM 0 HG3 GLN A 30 3.069 9.844 34.709 1.00 0.00 H new ATOM 0 HE21 GLN A 30 3.228 9.614 38.312 1.00 0.00 H new ATOM 0 HE22 GLN A 30 2.188 8.190 38.419 1.00 0.00 H new ATOM 1280 N PRO A 31 6.295 10.600 33.596 1.00 0.00 N ATOM 1281 CA PRO A 31 6.467 10.240 32.161 1.00 0.00 C ATOM 1282 C PRO A 31 5.772 8.920 31.812 1.00 0.00 C ATOM 1283 O PRO A 31 5.795 7.971 32.571 1.00 0.00 O ATOM 1284 CB PRO A 31 7.981 10.110 32.028 1.00 0.00 C ATOM 1285 CG PRO A 31 8.411 9.568 33.349 1.00 0.00 C ATOM 1286 CD PRO A 31 7.485 10.219 34.386 1.00 0.00 C ATOM 0 HA PRO A 31 6.026 10.974 31.486 1.00 0.00 H new ATOM 0 HB2 PRO A 31 8.255 9.440 31.213 1.00 0.00 H new ATOM 0 HB3 PRO A 31 8.448 11.073 31.820 1.00 0.00 H new ATOM 0 HG2 PRO A 31 8.324 8.482 33.374 1.00 0.00 H new ATOM 0 HG3 PRO A 31 9.455 9.809 33.550 1.00 0.00 H new ATOM 0 HD2 PRO A 31 7.230 9.526 35.187 1.00 0.00 H new ATOM 0 HD3 PRO A 31 7.952 11.087 34.852 1.00 0.00 H new ATOM 1294 N LEU A 32 5.152 8.862 30.664 1.00 0.00 N ATOM 1295 CA LEU A 32 4.438 7.617 30.244 1.00 0.00 C ATOM 1296 C LEU A 32 4.704 7.356 28.760 1.00 0.00 C ATOM 1297 O LEU A 32 4.834 8.276 27.977 1.00 0.00 O ATOM 1298 CB LEU A 32 2.933 7.814 30.454 1.00 0.00 C ATOM 1299 CG LEU A 32 2.622 8.056 31.938 1.00 0.00 C ATOM 1300 CD1 LEU A 32 1.164 8.495 32.078 1.00 0.00 C ATOM 1301 CD2 LEU A 32 2.848 6.771 32.749 1.00 0.00 C ATOM 0 H LEU A 32 5.108 9.629 29.993 1.00 0.00 H new ATOM 0 HA LEU A 32 4.792 6.772 30.834 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.585 8.660 29.861 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.393 6.935 30.102 1.00 0.00 H new ATOM 0 HG LEU A 32 3.285 8.832 32.319 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.936 8.669 33.130 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.005 9.415 31.515 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.510 7.715 31.689 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.623 6.959 33.799 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.194 5.984 32.373 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.887 6.457 32.651 1.00 0.00 H new ATOM 1313 N CYS A 33 4.769 6.114 28.356 1.00 0.00 N ATOM 1314 CA CYS A 33 5.003 5.823 26.914 1.00 0.00 C ATOM 1315 C CYS A 33 3.705 6.060 26.146 1.00 0.00 C ATOM 1316 O CYS A 33 2.777 6.662 26.649 1.00 0.00 O ATOM 1317 CB CYS A 33 5.479 4.379 26.720 1.00 0.00 C ATOM 1318 SG CYS A 33 4.127 3.217 27.025 1.00 0.00 S ATOM 0 H CYS A 33 4.671 5.296 28.958 1.00 0.00 H new ATOM 0 HA CYS A 33 5.782 6.485 26.535 1.00 0.00 H new ATOM 0 HB2 CYS A 33 5.857 4.248 25.706 1.00 0.00 H new ATOM 0 HB3 CYS A 33 6.306 4.169 27.398 1.00 0.00 H new ATOM 0 HG CYS A 33 4.548 2.252 27.788 1.00 0.00 H new ATOM 1323 N ASN A 34 3.634 5.613 24.924 1.00 0.00 N ATOM 1324 CA ASN A 34 2.397 5.840 24.124 1.00 0.00 C ATOM 1325 C ASN A 34 1.276 4.875 24.537 1.00 0.00 C ATOM 1326 O ASN A 34 0.145 5.280 24.718 1.00 0.00 O ATOM 1327 CB ASN A 34 2.722 5.656 22.640 1.00 0.00 C ATOM 1328 CG ASN A 34 3.172 4.218 22.379 1.00 0.00 C ATOM 1329 OD1 ASN A 34 3.561 3.514 23.290 1.00 0.00 O ATOM 1330 ND2 ASN A 34 3.143 3.753 21.160 1.00 0.00 N ATOM 0 H ASN A 34 4.376 5.102 24.445 1.00 0.00 H new ATOM 0 HA ASN A 34 2.045 6.855 24.309 1.00 0.00 H new ATOM 0 HB2 ASN A 34 1.845 5.887 22.036 1.00 0.00 H new ATOM 0 HB3 ASN A 34 3.507 6.351 22.342 1.00 0.00 H new ATOM 0 HD21 ASN A 34 3.447 2.798 20.971 1.00 0.00 H new ATOM 0 HD22 ASN A 34 2.816 4.345 20.396 1.00 0.00 H new ATOM 1337 N ALA A 35 1.555 3.605 24.658 1.00 0.00 N ATOM 1338 CA ALA A 35 0.474 2.640 25.022 1.00 0.00 C ATOM 1339 C ALA A 35 -0.110 2.922 26.416 1.00 0.00 C ATOM 1340 O ALA A 35 -1.312 2.983 26.581 1.00 0.00 O ATOM 1341 CB ALA A 35 1.026 1.214 24.966 1.00 0.00 C ATOM 0 H ALA A 35 2.479 3.194 24.522 1.00 0.00 H new ATOM 0 HA ALA A 35 -0.336 2.758 24.302 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.239 0.508 25.231 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.380 1.000 23.958 1.00 0.00 H new ATOM 0 HB3 ALA A 35 1.853 1.116 25.669 1.00 0.00 H new ATOM 1347 N CYS A 36 0.707 3.068 27.427 1.00 0.00 N ATOM 1348 CA CYS A 36 0.149 3.314 28.793 1.00 0.00 C ATOM 1349 C CYS A 36 -0.713 4.575 28.793 1.00 0.00 C ATOM 1350 O CYS A 36 -1.758 4.623 29.411 1.00 0.00 O ATOM 1351 CB CYS A 36 1.279 3.512 29.802 1.00 0.00 C ATOM 1352 SG CYS A 36 2.229 1.985 29.975 1.00 0.00 S ATOM 0 H CYS A 36 1.725 3.028 27.369 1.00 0.00 H new ATOM 0 HA CYS A 36 -0.452 2.448 29.070 1.00 0.00 H new ATOM 0 HB2 CYS A 36 1.932 4.321 29.475 1.00 0.00 H new ATOM 0 HB3 CYS A 36 0.868 3.805 30.768 1.00 0.00 H new ATOM 0 HG CYS A 36 3.479 2.273 30.185 1.00 0.00 H new ATOM 1357 N GLY A 37 -0.278 5.599 28.121 1.00 0.00 N ATOM 1358 CA GLY A 37 -1.066 6.861 28.102 1.00 0.00 C ATOM 1359 C GLY A 37 -2.415 6.632 27.418 1.00 0.00 C ATOM 1360 O GLY A 37 -3.450 7.018 27.922 1.00 0.00 O ATOM 0 H GLY A 37 0.589 5.619 27.584 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.222 7.216 29.121 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.510 7.637 27.576 1.00 0.00 H new ATOM 1364 N LEU A 38 -2.411 6.024 26.263 1.00 0.00 N ATOM 1365 CA LEU A 38 -3.690 5.791 25.533 1.00 0.00 C ATOM 1366 C LEU A 38 -4.572 4.764 26.255 1.00 0.00 C ATOM 1367 O LEU A 38 -5.738 4.998 26.497 1.00 0.00 O ATOM 1368 CB LEU A 38 -3.361 5.263 24.134 1.00 0.00 C ATOM 1369 CG LEU A 38 -2.590 6.319 23.332 1.00 0.00 C ATOM 1370 CD1 LEU A 38 -2.049 5.679 22.049 1.00 0.00 C ATOM 1371 CD2 LEU A 38 -3.513 7.496 22.970 1.00 0.00 C ATOM 0 H LEU A 38 -1.575 5.678 25.792 1.00 0.00 H new ATOM 0 HA LEU A 38 -4.236 6.733 25.482 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.768 4.352 24.212 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.281 5.000 23.612 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.765 6.695 23.937 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.500 6.425 21.474 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -1.382 4.856 22.306 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.879 5.301 21.453 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.952 8.237 22.401 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -4.347 7.133 22.369 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.895 7.953 23.883 1.00 0.00 H new ATOM 1383 N PHE A 39 -4.039 3.614 26.565 1.00 0.00 N ATOM 1384 CA PHE A 39 -4.864 2.558 27.227 1.00 0.00 C ATOM 1385 C PHE A 39 -5.254 2.931 28.659 1.00 0.00 C ATOM 1386 O PHE A 39 -6.400 2.825 29.045 1.00 0.00 O ATOM 1387 CB PHE A 39 -4.070 1.253 27.278 1.00 0.00 C ATOM 1388 CG PHE A 39 -4.967 0.150 27.783 1.00 0.00 C ATOM 1389 CD1 PHE A 39 -5.186 -0.003 29.158 1.00 0.00 C ATOM 1390 CD2 PHE A 39 -5.585 -0.718 26.876 1.00 0.00 C ATOM 1391 CE1 PHE A 39 -6.023 -1.024 29.624 1.00 0.00 C ATOM 1392 CE2 PHE A 39 -6.418 -1.740 27.342 1.00 0.00 C ATOM 1393 CZ PHE A 39 -6.638 -1.893 28.716 1.00 0.00 C ATOM 0 H PHE A 39 -3.067 3.358 26.389 1.00 0.00 H new ATOM 0 HA PHE A 39 -5.776 2.450 26.639 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -3.690 1.005 26.287 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -3.205 1.364 27.932 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -4.709 0.667 29.859 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -5.419 -0.599 25.816 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -6.194 -1.141 30.684 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -6.892 -2.412 26.641 1.00 0.00 H new ATOM 0 HZ PHE A 39 -7.282 -2.682 29.075 1.00 0.00 H new ATOM 1403 N LEU A 40 -4.305 3.314 29.465 1.00 0.00 N ATOM 1404 CA LEU A 40 -4.612 3.630 30.890 1.00 0.00 C ATOM 1405 C LEU A 40 -5.628 4.773 30.986 1.00 0.00 C ATOM 1406 O LEU A 40 -6.609 4.684 31.697 1.00 0.00 O ATOM 1407 CB LEU A 40 -3.309 4.020 31.595 1.00 0.00 C ATOM 1408 CG LEU A 40 -3.453 3.912 33.122 1.00 0.00 C ATOM 1409 CD1 LEU A 40 -3.662 2.443 33.545 1.00 0.00 C ATOM 1410 CD2 LEU A 40 -2.178 4.460 33.775 1.00 0.00 C ATOM 0 H LEU A 40 -3.326 3.423 29.199 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.049 2.754 31.370 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.500 3.372 31.256 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -3.036 5.040 31.323 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.320 4.488 33.444 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.762 2.387 34.629 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.567 2.055 33.077 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.805 1.848 33.228 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.265 4.390 34.859 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.319 3.877 33.442 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.042 5.503 33.489 1.00 0.00 H new ATOM 1422 N LYS A 41 -5.394 5.850 30.294 1.00 0.00 N ATOM 1423 CA LYS A 41 -6.339 7.001 30.362 1.00 0.00 C ATOM 1424 C LYS A 41 -7.711 6.608 29.804 1.00 0.00 C ATOM 1425 O LYS A 41 -8.739 6.969 30.344 1.00 0.00 O ATOM 1426 CB LYS A 41 -5.758 8.159 29.550 1.00 0.00 C ATOM 1427 CG LYS A 41 -6.630 9.402 29.724 1.00 0.00 C ATOM 1428 CD LYS A 41 -6.039 10.556 28.909 1.00 0.00 C ATOM 1429 CE LYS A 41 -6.916 11.798 29.079 1.00 0.00 C ATOM 1430 NZ LYS A 41 -6.242 12.979 28.467 1.00 0.00 N ATOM 0 H LYS A 41 -4.589 5.985 29.683 1.00 0.00 H new ATOM 0 HA LYS A 41 -6.470 7.301 31.402 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.740 8.369 29.877 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -5.705 7.886 28.496 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -7.648 9.194 29.395 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -6.685 9.677 30.777 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -5.022 10.767 29.240 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -5.980 10.280 27.856 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -7.886 11.637 28.608 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -7.102 11.981 30.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -6.842 13.821 28.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -5.327 13.138 28.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -6.087 12.804 27.454 1.00 0.00 H new ATOM 1444 N LEU A 42 -7.738 5.882 28.721 1.00 0.00 N ATOM 1445 CA LEU A 42 -9.043 5.478 28.122 1.00 0.00 C ATOM 1446 C LEU A 42 -9.738 4.454 29.022 1.00 0.00 C ATOM 1447 O LEU A 42 -10.943 4.467 29.179 1.00 0.00 O ATOM 1448 CB LEU A 42 -8.804 4.866 26.738 1.00 0.00 C ATOM 1449 CG LEU A 42 -8.349 5.953 25.754 1.00 0.00 C ATOM 1450 CD1 LEU A 42 -7.892 5.298 24.445 1.00 0.00 C ATOM 1451 CD2 LEU A 42 -9.498 6.936 25.465 1.00 0.00 C ATOM 0 H LEU A 42 -6.912 5.550 28.223 1.00 0.00 H new ATOM 0 HA LEU A 42 -9.679 6.358 28.027 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -8.048 4.083 26.803 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -9.719 4.396 26.376 1.00 0.00 H new ATOM 0 HG LEU A 42 -7.521 6.505 26.199 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -7.569 6.069 23.746 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -7.062 4.621 24.647 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -8.720 4.738 24.010 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -9.157 7.699 24.766 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -10.339 6.395 25.030 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -9.813 7.410 26.394 1.00 0.00 H new ATOM 1463 N HIS A 43 -8.991 3.545 29.586 1.00 0.00 N ATOM 1464 CA HIS A 43 -9.606 2.494 30.445 1.00 0.00 C ATOM 1465 C HIS A 43 -9.814 3.009 31.875 1.00 0.00 C ATOM 1466 O HIS A 43 -10.814 2.715 32.500 1.00 0.00 O ATOM 1467 CB HIS A 43 -8.679 1.276 30.448 1.00 0.00 C ATOM 1468 CG HIS A 43 -8.787 0.573 29.120 1.00 0.00 C ATOM 1469 ND1 HIS A 43 -8.145 1.035 27.981 1.00 0.00 N ATOM 1470 CD2 HIS A 43 -9.476 -0.549 28.732 1.00 0.00 C ATOM 1471 CE1 HIS A 43 -8.460 0.201 26.972 1.00 0.00 C ATOM 1472 NE2 HIS A 43 -9.268 -0.782 27.375 1.00 0.00 N ATOM 0 H HIS A 43 -7.977 3.485 29.488 1.00 0.00 H new ATOM 0 HA HIS A 43 -10.584 2.222 30.049 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -7.650 1.587 30.627 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -8.952 0.597 31.256 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -7.544 1.857 27.919 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -10.087 -1.159 29.381 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -8.102 0.314 25.959 1.00 0.00 H new ATOM 1480 N GLY A 44 -8.901 3.777 32.404 1.00 0.00 N ATOM 1481 CA GLY A 44 -9.082 4.305 33.790 1.00 0.00 C ATOM 1482 C GLY A 44 -8.917 3.191 34.827 1.00 0.00 C ATOM 1483 O GLY A 44 -9.183 3.390 35.996 1.00 0.00 O ATOM 0 H GLY A 44 -8.039 4.062 31.939 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -8.355 5.094 33.980 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -10.071 4.753 33.886 1.00 0.00 H new ATOM 1487 N VAL A 45 -8.488 2.024 34.421 1.00 0.00 N ATOM 1488 CA VAL A 45 -8.316 0.900 35.395 1.00 0.00 C ATOM 1489 C VAL A 45 -6.964 0.228 35.172 1.00 0.00 C ATOM 1490 O VAL A 45 -6.260 0.516 34.225 1.00 0.00 O ATOM 1491 CB VAL A 45 -9.432 -0.128 35.201 1.00 0.00 C ATOM 1492 CG1 VAL A 45 -10.745 0.440 35.742 1.00 0.00 C ATOM 1493 CG2 VAL A 45 -9.582 -0.452 33.710 1.00 0.00 C ATOM 0 H VAL A 45 -8.248 1.799 33.455 1.00 0.00 H new ATOM 0 HA VAL A 45 -8.361 1.297 36.409 1.00 0.00 H new ATOM 0 HB VAL A 45 -9.183 -1.041 35.741 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -11.542 -0.291 35.605 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -10.635 0.662 36.803 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -10.995 1.354 35.204 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -10.378 -1.185 33.575 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -9.830 0.458 33.163 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -8.645 -0.860 33.330 1.00 0.00 H new ATOM 1503 N VAL A 46 -6.598 -0.665 36.046 1.00 0.00 N ATOM 1504 CA VAL A 46 -5.291 -1.359 35.903 1.00 0.00 C ATOM 1505 C VAL A 46 -5.194 -2.015 34.526 1.00 0.00 C ATOM 1506 O VAL A 46 -6.182 -2.415 33.941 1.00 0.00 O ATOM 1507 CB VAL A 46 -5.163 -2.425 36.990 1.00 0.00 C ATOM 1508 CG1 VAL A 46 -4.955 -1.741 38.341 1.00 0.00 C ATOM 1509 CG2 VAL A 46 -6.442 -3.264 37.037 1.00 0.00 C ATOM 0 H VAL A 46 -7.150 -0.945 36.856 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.485 -0.632 36.006 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.314 -3.072 36.770 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.863 -2.497 39.121 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -4.046 -1.140 38.309 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.808 -1.097 38.558 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.350 -4.024 37.813 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -7.292 -2.619 37.260 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -6.596 -3.747 36.072 1.00 0.00 H new ATOM 1519 N ARG A 47 -3.996 -2.129 34.017 1.00 0.00 N ATOM 1520 CA ARG A 47 -3.770 -2.764 32.684 1.00 0.00 C ATOM 1521 C ARG A 47 -2.739 -3.884 32.868 1.00 0.00 C ATOM 1522 O ARG A 47 -1.750 -3.687 33.546 1.00 0.00 O ATOM 1523 CB ARG A 47 -3.197 -1.718 31.719 1.00 0.00 C ATOM 1524 CG ARG A 47 -2.996 -2.334 30.327 1.00 0.00 C ATOM 1525 CD ARG A 47 -2.214 -1.365 29.433 1.00 0.00 C ATOM 1526 NE ARG A 47 -0.756 -1.558 29.670 1.00 0.00 N ATOM 1527 CZ ARG A 47 0.113 -1.072 28.826 1.00 0.00 C ATOM 1528 NH1 ARG A 47 -0.296 -0.404 27.784 1.00 0.00 N ATOM 1529 NH2 ARG A 47 1.390 -1.256 29.026 1.00 0.00 N ATOM 0 H ARG A 47 -3.147 -1.802 34.478 1.00 0.00 H new ATOM 0 HA ARG A 47 -4.704 -3.157 32.284 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -3.872 -0.865 31.653 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -2.247 -1.344 32.100 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -2.458 -3.278 30.412 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -3.963 -2.558 29.876 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -2.452 -1.544 28.385 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -2.499 -0.336 29.653 1.00 0.00 H new ATOM 0 HE ARG A 47 -0.437 -2.070 30.492 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -1.294 -0.262 27.629 1.00 0.00 H new ATOM 0 HH12 ARG A 47 0.382 -0.024 27.124 1.00 0.00 H new ATOM 0 HH21 ARG A 47 1.708 -1.779 29.842 1.00 0.00 H new ATOM 0 HH22 ARG A 47 2.069 -0.876 28.367 1.00 0.00 H new ATOM 1543 N PRO A 48 -2.925 -5.039 32.275 1.00 0.00 N ATOM 1544 CA PRO A 48 -1.933 -6.137 32.414 1.00 0.00 C ATOM 1545 C PRO A 48 -0.641 -5.783 31.677 1.00 0.00 C ATOM 1546 O PRO A 48 -0.534 -5.942 30.477 1.00 0.00 O ATOM 1547 CB PRO A 48 -2.620 -7.353 31.780 1.00 0.00 C ATOM 1548 CG PRO A 48 -3.611 -6.775 30.821 1.00 0.00 C ATOM 1549 CD PRO A 48 -4.061 -5.438 31.421 1.00 0.00 C ATOM 0 HA PRO A 48 -1.650 -6.323 33.450 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -1.900 -7.992 31.268 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -3.111 -7.968 32.534 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -3.162 -6.629 29.839 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -4.459 -7.446 30.687 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -4.259 -4.698 30.646 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -4.978 -5.547 32.000 1.00 0.00 H new ATOM 1557 N LEU A 49 0.335 -5.299 32.386 1.00 0.00 N ATOM 1558 CA LEU A 49 1.610 -4.930 31.721 1.00 0.00 C ATOM 1559 C LEU A 49 2.153 -6.167 31.002 1.00 0.00 C ATOM 1560 O LEU A 49 3.108 -6.099 30.255 1.00 0.00 O ATOM 1561 CB LEU A 49 2.611 -4.434 32.767 1.00 0.00 C ATOM 1562 CG LEU A 49 1.949 -3.365 33.647 1.00 0.00 C ATOM 1563 CD1 LEU A 49 2.928 -2.921 34.735 1.00 0.00 C ATOM 1564 CD2 LEU A 49 1.546 -2.151 32.795 1.00 0.00 C ATOM 0 H LEU A 49 0.306 -5.143 33.394 1.00 0.00 H new ATOM 0 HA LEU A 49 1.446 -4.130 30.999 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.951 -5.267 33.383 1.00 0.00 H new ATOM 0 HB3 LEU A 49 3.491 -4.020 32.275 1.00 0.00 H new ATOM 0 HG LEU A 49 1.056 -3.788 34.107 1.00 0.00 H new ATOM 0 HD11 LEU A 49 2.458 -2.162 35.360 1.00 0.00 H new ATOM 0 HD12 LEU A 49 3.202 -3.778 35.350 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.823 -2.506 34.272 1.00 0.00 H new ATOM 0 HD21 LEU A 49 1.077 -1.400 33.431 1.00 0.00 H new ATOM 0 HD22 LEU A 49 2.433 -1.726 32.324 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.842 -2.465 32.025 1.00 0.00 H new ATOM 1576 N SER A 50 1.539 -7.301 31.224 1.00 0.00 N ATOM 1577 CA SER A 50 2.009 -8.552 30.559 1.00 0.00 C ATOM 1578 C SER A 50 1.951 -8.365 29.043 1.00 0.00 C ATOM 1579 O SER A 50 2.510 -9.140 28.293 1.00 0.00 O ATOM 1580 CB SER A 50 1.114 -9.728 30.960 1.00 0.00 C ATOM 1581 OG SER A 50 1.473 -10.871 30.194 1.00 0.00 O ATOM 0 H SER A 50 0.732 -7.414 31.838 1.00 0.00 H new ATOM 0 HA SER A 50 3.032 -8.762 30.870 1.00 0.00 H new ATOM 0 HB2 SER A 50 1.225 -9.939 32.024 1.00 0.00 H new ATOM 0 HB3 SER A 50 0.067 -9.477 30.792 1.00 0.00 H new ATOM 0 HG SER A 50 0.904 -11.627 30.448 1.00 0.00 H new ATOM 1587 N LEU A 51 1.300 -7.330 28.583 1.00 0.00 N ATOM 1588 CA LEU A 51 1.241 -7.091 27.112 1.00 0.00 C ATOM 1589 C LEU A 51 2.575 -6.487 26.682 1.00 0.00 C ATOM 1590 O LEU A 51 3.053 -6.707 25.587 1.00 0.00 O ATOM 1591 CB LEU A 51 0.144 -6.080 26.786 1.00 0.00 C ATOM 1592 CG LEU A 51 -1.220 -6.582 27.269 1.00 0.00 C ATOM 1593 CD1 LEU A 51 -2.171 -5.390 27.372 1.00 0.00 C ATOM 1594 CD2 LEU A 51 -1.795 -7.593 26.270 1.00 0.00 C ATOM 0 H LEU A 51 0.810 -6.644 29.157 1.00 0.00 H new ATOM 0 HA LEU A 51 1.037 -8.030 26.598 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.372 -5.124 27.258 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.112 -5.905 25.711 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.105 -7.065 28.239 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -3.147 -5.732 27.715 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.771 -4.665 28.081 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.274 -4.921 26.393 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.765 -7.943 26.624 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.914 -7.116 25.297 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.115 -8.440 26.178 1.00 0.00 H new ATOM 1606 N LYS A 52 3.167 -5.710 27.545 1.00 0.00 N ATOM 1607 CA LYS A 52 4.466 -5.057 27.217 1.00 0.00 C ATOM 1608 C LYS A 52 5.408 -6.053 26.539 1.00 0.00 C ATOM 1609 O LYS A 52 5.494 -7.210 26.899 1.00 0.00 O ATOM 1610 CB LYS A 52 5.092 -4.527 28.518 1.00 0.00 C ATOM 1611 CG LYS A 52 6.542 -4.057 28.318 1.00 0.00 C ATOM 1612 CD LYS A 52 6.611 -2.870 27.354 1.00 0.00 C ATOM 1613 CE LYS A 52 8.046 -2.342 27.321 1.00 0.00 C ATOM 1614 NZ LYS A 52 8.999 -3.487 27.356 1.00 0.00 N ATOM 0 H LYS A 52 2.803 -5.497 28.474 1.00 0.00 H new ATOM 0 HA LYS A 52 4.298 -4.231 26.526 1.00 0.00 H new ATOM 0 HB2 LYS A 52 4.493 -3.699 28.896 1.00 0.00 H new ATOM 0 HB3 LYS A 52 5.067 -5.310 29.276 1.00 0.00 H new ATOM 0 HG2 LYS A 52 6.971 -3.774 29.279 1.00 0.00 H new ATOM 0 HG3 LYS A 52 7.143 -4.879 27.930 1.00 0.00 H new ATOM 0 HD2 LYS A 52 6.299 -3.177 26.356 1.00 0.00 H new ATOM 0 HD3 LYS A 52 5.927 -2.084 27.674 1.00 0.00 H new ATOM 0 HE2 LYS A 52 8.206 -1.750 26.420 1.00 0.00 H new ATOM 0 HE3 LYS A 52 8.222 -1.683 28.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 9.947 -3.158 27.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 9.034 -3.880 28.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 8.682 -4.223 26.693 1.00 0.00 H new ATOM 1628 N THR A 53 6.141 -5.571 25.575 1.00 0.00 N ATOM 1629 CA THR A 53 7.135 -6.411 24.854 1.00 0.00 C ATOM 1630 C THR A 53 8.291 -5.500 24.455 1.00 0.00 C ATOM 1631 O THR A 53 8.195 -4.293 24.555 1.00 0.00 O ATOM 1632 CB THR A 53 6.510 -7.023 23.597 1.00 0.00 C ATOM 1633 OG1 THR A 53 7.543 -7.423 22.708 1.00 0.00 O ATOM 1634 CG2 THR A 53 5.606 -5.997 22.908 1.00 0.00 C ATOM 0 H THR A 53 6.090 -4.606 25.250 1.00 0.00 H new ATOM 0 HA THR A 53 7.475 -7.226 25.493 1.00 0.00 H new ATOM 0 HB THR A 53 5.911 -7.889 23.877 1.00 0.00 H new ATOM 0 HG1 THR A 53 7.263 -7.255 21.784 1.00 0.00 H new ATOM 0 HG21 THR A 53 5.166 -6.441 22.015 1.00 0.00 H new ATOM 0 HG22 THR A 53 4.813 -5.694 23.591 1.00 0.00 H new ATOM 0 HG23 THR A 53 6.195 -5.124 22.626 1.00 0.00 H new ATOM 1642 N ASP A 54 9.385 -6.048 24.015 1.00 0.00 N ATOM 1643 CA ASP A 54 10.540 -5.189 23.623 1.00 0.00 C ATOM 1644 C ASP A 54 10.454 -4.926 22.122 1.00 0.00 C ATOM 1645 O ASP A 54 11.310 -4.292 21.537 1.00 0.00 O ATOM 1646 CB ASP A 54 11.842 -5.920 23.952 1.00 0.00 C ATOM 1647 CG ASP A 54 12.009 -5.990 25.471 1.00 0.00 C ATOM 1648 OD1 ASP A 54 11.379 -5.199 26.153 1.00 0.00 O ATOM 1649 OD2 ASP A 54 12.758 -6.837 25.926 1.00 0.00 O ATOM 0 H ASP A 54 9.533 -7.052 23.909 1.00 0.00 H new ATOM 0 HA ASP A 54 10.517 -4.244 24.165 1.00 0.00 H new ATOM 0 HB2 ASP A 54 11.826 -6.925 23.529 1.00 0.00 H new ATOM 0 HB3 ASP A 54 12.689 -5.399 23.505 1.00 0.00 H new ATOM 1654 N VAL A 55 9.409 -5.413 21.502 1.00 0.00 N ATOM 1655 CA VAL A 55 9.210 -5.214 20.036 1.00 0.00 C ATOM 1656 C VAL A 55 7.899 -4.465 19.801 1.00 0.00 C ATOM 1657 O VAL A 55 6.883 -4.759 20.402 1.00 0.00 O ATOM 1658 CB VAL A 55 9.148 -6.575 19.340 1.00 0.00 C ATOM 1659 CG1 VAL A 55 8.781 -6.383 17.866 1.00 0.00 C ATOM 1660 CG2 VAL A 55 10.515 -7.253 19.439 1.00 0.00 C ATOM 0 H VAL A 55 8.672 -5.950 21.960 1.00 0.00 H new ATOM 0 HA VAL A 55 10.040 -4.636 19.631 1.00 0.00 H new ATOM 0 HB VAL A 55 8.393 -7.196 19.822 1.00 0.00 H new ATOM 0 HG11 VAL A 55 8.737 -7.354 17.372 1.00 0.00 H new ATOM 0 HG12 VAL A 55 7.809 -5.895 17.794 1.00 0.00 H new ATOM 0 HG13 VAL A 55 9.535 -5.763 17.381 1.00 0.00 H new ATOM 0 HG21 VAL A 55 10.476 -8.224 18.944 1.00 0.00 H new ATOM 0 HG22 VAL A 55 11.267 -6.629 18.955 1.00 0.00 H new ATOM 0 HG23 VAL A 55 10.778 -7.390 20.488 1.00 0.00 H new ATOM 1670 N ILE A 56 7.920 -3.505 18.915 1.00 0.00 N ATOM 1671 CA ILE A 56 6.694 -2.714 18.592 1.00 0.00 C ATOM 1672 C ILE A 56 6.348 -2.951 17.125 1.00 0.00 C ATOM 1673 O ILE A 56 7.204 -2.907 16.264 1.00 0.00 O ATOM 1674 CB ILE A 56 6.971 -1.226 18.819 1.00 0.00 C ATOM 1675 CG1 ILE A 56 7.356 -1.003 20.283 1.00 0.00 C ATOM 1676 CG2 ILE A 56 5.713 -0.415 18.494 1.00 0.00 C ATOM 1677 CD1 ILE A 56 7.891 0.419 20.460 1.00 0.00 C ATOM 0 H ILE A 56 8.751 -3.230 18.391 1.00 0.00 H new ATOM 0 HA ILE A 56 5.866 -3.021 19.230 1.00 0.00 H new ATOM 0 HB ILE A 56 7.786 -0.903 18.171 1.00 0.00 H new ATOM 0 HG12 ILE A 56 6.490 -1.159 20.926 1.00 0.00 H new ATOM 0 HG13 ILE A 56 8.112 -1.728 20.585 1.00 0.00 H new ATOM 0 HG21 ILE A 56 5.911 0.645 18.656 1.00 0.00 H new ATOM 0 HG22 ILE A 56 5.435 -0.577 17.453 1.00 0.00 H new ATOM 0 HG23 ILE A 56 4.897 -0.735 19.142 1.00 0.00 H new ATOM 0 HD11 ILE A 56 8.165 0.577 21.503 1.00 0.00 H new ATOM 0 HD12 ILE A 56 8.769 0.559 19.829 1.00 0.00 H new ATOM 0 HD13 ILE A 56 7.121 1.136 20.174 1.00 0.00 H new ATOM 1689 N LYS A 57 5.108 -3.214 16.822 1.00 0.00 N ATOM 1690 CA LYS A 57 4.746 -3.464 15.401 1.00 0.00 C ATOM 1691 C LYS A 57 4.637 -2.130 14.669 1.00 0.00 C ATOM 1692 O LYS A 57 3.954 -1.221 15.098 1.00 0.00 O ATOM 1693 CB LYS A 57 3.406 -4.202 15.332 1.00 0.00 C ATOM 1694 CG LYS A 57 3.112 -4.597 13.882 1.00 0.00 C ATOM 1695 CD LYS A 57 1.780 -5.348 13.812 1.00 0.00 C ATOM 1696 CE LYS A 57 1.545 -5.846 12.384 1.00 0.00 C ATOM 1697 NZ LYS A 57 2.603 -6.831 12.022 1.00 0.00 N ATOM 0 H LYS A 57 4.338 -3.266 17.489 1.00 0.00 H new ATOM 0 HA LYS A 57 5.515 -4.077 14.930 1.00 0.00 H new ATOM 0 HB2 LYS A 57 3.436 -5.090 15.963 1.00 0.00 H new ATOM 0 HB3 LYS A 57 2.608 -3.565 15.715 1.00 0.00 H new ATOM 0 HG2 LYS A 57 3.072 -3.707 13.253 1.00 0.00 H new ATOM 0 HG3 LYS A 57 3.915 -5.225 13.496 1.00 0.00 H new ATOM 0 HD2 LYS A 57 1.789 -6.190 14.504 1.00 0.00 H new ATOM 0 HD3 LYS A 57 0.965 -4.692 14.118 1.00 0.00 H new ATOM 0 HE2 LYS A 57 0.561 -6.308 12.306 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.560 -5.007 11.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 2.258 -7.446 11.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 3.454 -6.325 11.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 2.837 -7.411 12.853 1.00 0.00 H new ATOM 1711 N LYS A 58 5.303 -2.015 13.554 1.00 0.00 N ATOM 1712 CA LYS A 58 5.242 -0.753 12.769 1.00 0.00 C ATOM 1713 C LYS A 58 4.040 -0.818 11.828 1.00 0.00 C ATOM 1714 O LYS A 58 3.871 -1.774 11.097 1.00 0.00 O ATOM 1715 CB LYS A 58 6.532 -0.594 11.961 1.00 0.00 C ATOM 1716 CG LYS A 58 7.695 -0.297 12.913 1.00 0.00 C ATOM 1717 CD LYS A 58 8.989 -0.137 12.111 1.00 0.00 C ATOM 1718 CE LYS A 58 10.141 0.220 13.056 1.00 0.00 C ATOM 1719 NZ LYS A 58 10.333 -0.869 14.056 1.00 0.00 N ATOM 0 H LYS A 58 5.890 -2.746 13.151 1.00 0.00 H new ATOM 0 HA LYS A 58 5.136 0.101 13.438 1.00 0.00 H new ATOM 0 HB2 LYS A 58 6.734 -1.503 11.395 1.00 0.00 H new ATOM 0 HB3 LYS A 58 6.424 0.214 11.238 1.00 0.00 H new ATOM 0 HG2 LYS A 58 7.492 0.612 13.479 1.00 0.00 H new ATOM 0 HG3 LYS A 58 7.801 -1.106 13.636 1.00 0.00 H new ATOM 0 HD2 LYS A 58 9.215 -1.061 11.579 1.00 0.00 H new ATOM 0 HD3 LYS A 58 8.868 0.642 11.359 1.00 0.00 H new ATOM 0 HE2 LYS A 58 11.058 0.368 12.486 1.00 0.00 H new ATOM 0 HE3 LYS A 58 9.927 1.160 13.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 11.348 -1.069 14.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 9.942 -0.571 14.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 9.843 -1.727 13.733 1.00 0.00 H new ATOM 1733 N ARG A 59 3.197 0.180 11.840 1.00 0.00 N ATOM 1734 CA ARG A 59 2.000 0.164 10.950 1.00 0.00 C ATOM 1735 C ARG A 59 2.298 0.981 9.696 1.00 0.00 C ATOM 1736 O ARG A 59 3.389 1.484 9.512 1.00 0.00 O ATOM 1737 CB ARG A 59 0.803 0.775 11.681 1.00 0.00 C ATOM 1738 CG ARG A 59 0.366 -0.169 12.803 1.00 0.00 C ATOM 1739 CD ARG A 59 -0.836 0.427 13.537 1.00 0.00 C ATOM 1740 NE ARG A 59 -0.987 -0.225 14.876 1.00 0.00 N ATOM 1741 CZ ARG A 59 -1.078 -1.523 15.002 1.00 0.00 C ATOM 1742 NH1 ARG A 59 -1.247 -2.283 13.955 1.00 0.00 N ATOM 1743 NH2 ARG A 59 -1.057 -2.062 16.191 1.00 0.00 N ATOM 0 H ARG A 59 3.286 1.008 12.429 1.00 0.00 H new ATOM 0 HA ARG A 59 1.766 -0.864 10.675 1.00 0.00 H new ATOM 0 HB2 ARG A 59 1.070 1.749 12.092 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -0.020 0.938 10.985 1.00 0.00 H new ATOM 0 HG2 ARG A 59 0.106 -1.144 12.391 1.00 0.00 H new ATOM 0 HG3 ARG A 59 1.189 -0.327 13.500 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -0.703 1.502 13.659 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -1.742 0.283 12.948 1.00 0.00 H new ATOM 0 HE ARG A 59 -1.020 0.359 15.712 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -1.309 -1.865 13.026 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -1.317 -3.295 14.065 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -0.970 -1.471 17.018 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -1.128 -3.074 16.293 1.00 0.00 H new ATOM 1757 N ASN A 60 1.347 1.089 8.815 1.00 0.00 N ATOM 1758 CA ASN A 60 1.582 1.838 7.552 1.00 0.00 C ATOM 1759 C ASN A 60 1.629 3.340 7.830 1.00 0.00 C ATOM 1760 O ASN A 60 1.615 3.776 8.963 1.00 0.00 O ATOM 1761 CB ASN A 60 0.440 1.541 6.581 1.00 0.00 C ATOM 1762 CG ASN A 60 -0.884 1.983 7.207 1.00 0.00 C ATOM 1763 OD1 ASN A 60 -0.896 2.656 8.219 1.00 0.00 O ATOM 1764 ND2 ASN A 60 -2.009 1.630 6.647 1.00 0.00 N ATOM 0 H ASN A 60 0.414 0.690 8.915 1.00 0.00 H new ATOM 0 HA ASN A 60 2.534 1.528 7.121 1.00 0.00 H new ATOM 0 HB2 ASN A 60 0.603 2.065 5.639 1.00 0.00 H new ATOM 0 HB3 ASN A 60 0.410 0.476 6.352 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -2.896 1.919 7.059 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -2.001 1.065 5.798 1.00 0.00 H new