USER MOD reduce.3.24.130724 H: found=0, std=0, add=411, rem=0, adj=13 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= 0.953 USER MOD Set 1.2: A 15 CYS SG : rot -59:sc= 0.805 USER MOD Set 1.3: A 17 THR OG1 : rot 86:sc= 0.535 USER MOD Set 1.4: A 33 CYS SG : rot -133:sc= 1.11 USER MOD Set 1.5: A 36 CYS SG : rot 144:sc= 0.126 USER MOD Set 2.1: A 20 THR OG1 : rot -120:sc= -0.184 USER MOD Set 2.2: A 34 ASN : amide:sc= -2.19 K(o=-2.4,f=-12!) USER MOD Single : A 11 THR OG1 : rot 32:sc= 0.282 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -1.69 K(o=-1.7,f=-2.9!) 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= -1.25 X(o=-1.2,f=-1.5) USER MOD Single : A 30 GLN : amide:sc= -0.106 K(o=-0.11,f=-1.9!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HE2:sc= -6.17! C(o=-6.2!,f=-8.2!) USER MOD Single : A 50 SER OG : rot -29:sc= 0.235 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.384 USER MOD Single : A 57 LYS NZ :NH3+ -150:sc= -0.162 (180deg=-0.898) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -0.769 K(o=-0.77,f=-0.013) USER MOD ----------------------------------------------------------------- ATOM 970 N THR A 11 11.589 7.562 31.248 1.00 0.00 N ATOM 971 CA THR A 11 11.211 6.118 31.368 1.00 0.00 C ATOM 972 C THR A 11 9.721 6.013 31.709 1.00 0.00 C ATOM 973 O THR A 11 9.189 6.808 32.458 1.00 0.00 O ATOM 974 CB THR A 11 12.033 5.465 32.485 1.00 0.00 C ATOM 975 OG1 THR A 11 13.408 5.770 32.299 1.00 0.00 O ATOM 976 CG2 THR A 11 11.841 3.945 32.454 1.00 0.00 C ATOM 0 HA THR A 11 11.410 5.609 30.425 1.00 0.00 H new ATOM 0 HB THR A 11 11.698 5.850 33.448 1.00 0.00 H new ATOM 0 HG1 THR A 11 13.494 6.655 31.886 1.00 0.00 H new ATOM 0 HG21 THR A 11 12.428 3.488 33.250 1.00 0.00 H new ATOM 0 HG22 THR A 11 10.787 3.708 32.599 1.00 0.00 H new ATOM 0 HG23 THR A 11 12.171 3.556 31.491 1.00 0.00 H new ATOM 984 N CYS A 12 9.045 5.039 31.164 1.00 0.00 N ATOM 985 CA CYS A 12 7.589 4.883 31.456 1.00 0.00 C ATOM 986 C CYS A 12 7.403 4.259 32.841 1.00 0.00 C ATOM 987 O CYS A 12 7.653 3.087 33.044 1.00 0.00 O ATOM 988 CB CYS A 12 6.955 3.979 30.403 1.00 0.00 C ATOM 989 SG CYS A 12 5.155 4.159 30.466 1.00 0.00 S ATOM 0 H CYS A 12 9.437 4.344 30.529 1.00 0.00 H new ATOM 0 HA CYS A 12 7.110 5.862 31.435 1.00 0.00 H new ATOM 0 HB2 CYS A 12 7.324 4.242 29.412 1.00 0.00 H new ATOM 0 HB3 CYS A 12 7.235 2.941 30.582 1.00 0.00 H new ATOM 0 HG CYS A 12 4.638 3.747 29.346 1.00 0.00 H new ATOM 994 N THR A 13 6.953 5.034 33.788 1.00 0.00 N ATOM 995 CA THR A 13 6.746 4.499 35.164 1.00 0.00 C ATOM 996 C THR A 13 5.642 3.441 35.169 1.00 0.00 C ATOM 997 O THR A 13 5.440 2.765 36.158 1.00 0.00 O ATOM 998 CB THR A 13 6.333 5.635 36.103 1.00 0.00 C ATOM 999 OG1 THR A 13 5.181 6.280 35.581 1.00 0.00 O ATOM 1000 CG2 THR A 13 7.474 6.643 36.233 1.00 0.00 C ATOM 0 H THR A 13 6.718 6.019 33.668 1.00 0.00 H new ATOM 0 HA THR A 13 7.681 4.050 35.500 1.00 0.00 H new ATOM 0 HB THR A 13 6.108 5.226 37.088 1.00 0.00 H new ATOM 0 HG1 THR A 13 4.913 7.007 36.181 1.00 0.00 H new ATOM 0 HG21 THR A 13 7.173 7.449 36.903 1.00 0.00 H new ATOM 0 HG22 THR A 13 8.355 6.145 36.637 1.00 0.00 H new ATOM 0 HG23 THR A 13 7.709 7.055 35.252 1.00 0.00 H new ATOM 1008 N ASN A 14 4.910 3.295 34.093 1.00 0.00 N ATOM 1009 CA ASN A 14 3.806 2.288 34.071 1.00 0.00 C ATOM 1010 C ASN A 14 4.261 0.987 33.398 1.00 0.00 C ATOM 1011 O ASN A 14 3.831 -0.081 33.787 1.00 0.00 O ATOM 1012 CB ASN A 14 2.612 2.870 33.307 1.00 0.00 C ATOM 1013 CG ASN A 14 1.901 3.906 34.182 1.00 0.00 C ATOM 1014 OD1 ASN A 14 2.310 4.159 35.299 1.00 0.00 O ATOM 1015 ND2 ASN A 14 0.837 4.508 33.727 1.00 0.00 N ATOM 0 H ASN A 14 5.029 3.828 33.231 1.00 0.00 H new ATOM 0 HA ASN A 14 3.521 2.059 35.098 1.00 0.00 H new ATOM 0 HB2 ASN A 14 2.951 3.332 32.380 1.00 0.00 H new ATOM 0 HB3 ASN A 14 1.920 2.074 33.032 1.00 0.00 H new ATOM 0 HD21 ASN A 14 0.349 5.190 34.308 1.00 0.00 H new ATOM 0 HD22 ASN A 14 0.493 4.297 32.790 1.00 0.00 H new ATOM 1022 N CYS A 15 5.112 1.048 32.399 1.00 0.00 N ATOM 1023 CA CYS A 15 5.564 -0.216 31.724 1.00 0.00 C ATOM 1024 C CYS A 15 7.079 -0.200 31.513 1.00 0.00 C ATOM 1025 O CYS A 15 7.629 -1.091 30.901 1.00 0.00 O ATOM 1026 CB CYS A 15 4.846 -0.390 30.379 1.00 0.00 C ATOM 1027 SG CYS A 15 5.559 0.707 29.130 1.00 0.00 S ATOM 0 H CYS A 15 5.511 1.909 32.024 1.00 0.00 H new ATOM 0 HA CYS A 15 5.311 -1.058 32.368 1.00 0.00 H new ATOM 0 HB2 CYS A 15 4.926 -1.426 30.049 1.00 0.00 H new ATOM 0 HB3 CYS A 15 3.784 -0.174 30.497 1.00 0.00 H new ATOM 0 HG CYS A 15 5.454 1.941 29.525 1.00 0.00 H new ATOM 1032 N PHE A 16 7.761 0.785 32.038 1.00 0.00 N ATOM 1033 CA PHE A 16 9.247 0.848 31.912 1.00 0.00 C ATOM 1034 C PHE A 16 9.699 0.899 30.449 1.00 0.00 C ATOM 1035 O PHE A 16 10.881 0.862 30.169 1.00 0.00 O ATOM 1036 CB PHE A 16 9.879 -0.369 32.597 1.00 0.00 C ATOM 1037 CG PHE A 16 9.450 -0.416 34.045 1.00 0.00 C ATOM 1038 CD1 PHE A 16 10.177 0.286 35.014 1.00 0.00 C ATOM 1039 CD2 PHE A 16 8.330 -1.169 34.418 1.00 0.00 C ATOM 1040 CE1 PHE A 16 9.783 0.237 36.356 1.00 0.00 C ATOM 1041 CE2 PHE A 16 7.937 -1.218 35.762 1.00 0.00 C ATOM 1042 CZ PHE A 16 8.663 -0.515 36.731 1.00 0.00 C ATOM 0 H PHE A 16 7.345 1.559 32.556 1.00 0.00 H new ATOM 0 HA PHE A 16 9.577 1.767 32.397 1.00 0.00 H new ATOM 0 HB2 PHE A 16 9.576 -1.284 32.088 1.00 0.00 H new ATOM 0 HB3 PHE A 16 10.966 -0.313 32.531 1.00 0.00 H new ATOM 0 HD1 PHE A 16 11.042 0.865 34.726 1.00 0.00 H new ATOM 0 HD2 PHE A 16 7.770 -1.711 33.671 1.00 0.00 H new ATOM 0 HE1 PHE A 16 10.343 0.780 37.103 1.00 0.00 H new ATOM 0 HE2 PHE A 16 7.073 -1.799 36.051 1.00 0.00 H new ATOM 0 HZ PHE A 16 8.359 -0.553 37.767 1.00 0.00 H new ATOM 1052 N THR A 17 8.800 0.969 29.505 1.00 0.00 N ATOM 1053 CA THR A 17 9.251 1.006 28.085 1.00 0.00 C ATOM 1054 C THR A 17 10.149 2.224 27.876 1.00 0.00 C ATOM 1055 O THR A 17 9.802 3.330 28.234 1.00 0.00 O ATOM 1056 CB THR A 17 8.035 1.113 27.158 1.00 0.00 C ATOM 1057 OG1 THR A 17 7.324 -0.116 27.166 1.00 0.00 O ATOM 1058 CG2 THR A 17 8.489 1.439 25.730 1.00 0.00 C ATOM 0 H THR A 17 7.791 1.002 29.651 1.00 0.00 H new ATOM 0 HA THR A 17 9.801 0.093 27.856 1.00 0.00 H new ATOM 0 HB THR A 17 7.384 1.912 27.513 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.697 -0.127 27.919 1.00 0.00 H new ATOM 0 HG21 THR A 17 7.618 1.513 25.079 1.00 0.00 H new ATOM 0 HG22 THR A 17 9.026 2.388 25.727 1.00 0.00 H new ATOM 0 HG23 THR A 17 9.146 0.649 25.368 1.00 0.00 H new ATOM 1066 N GLN A 18 11.299 2.023 27.290 1.00 0.00 N ATOM 1067 CA GLN A 18 12.236 3.155 27.035 1.00 0.00 C ATOM 1068 C GLN A 18 12.122 3.571 25.568 1.00 0.00 C ATOM 1069 O GLN A 18 12.555 4.639 25.178 1.00 0.00 O ATOM 1070 CB GLN A 18 13.666 2.698 27.322 1.00 0.00 C ATOM 1071 CG GLN A 18 14.620 3.885 27.181 1.00 0.00 C ATOM 1072 CD GLN A 18 16.012 3.473 27.660 1.00 0.00 C ATOM 1073 OE1 GLN A 18 16.241 2.325 27.982 1.00 0.00 O ATOM 1074 NE2 GLN A 18 16.959 4.370 27.723 1.00 0.00 N ATOM 0 H GLN A 18 11.632 1.112 26.974 1.00 0.00 H new ATOM 0 HA GLN A 18 11.986 3.998 27.679 1.00 0.00 H new ATOM 0 HB2 GLN A 18 13.731 2.283 28.328 1.00 0.00 H new ATOM 0 HB3 GLN A 18 13.951 1.905 26.631 1.00 0.00 H new ATOM 0 HG2 GLN A 18 14.662 4.211 26.142 1.00 0.00 H new ATOM 0 HG3 GLN A 18 14.257 4.730 27.766 1.00 0.00 H new ATOM 0 HE21 GLN A 18 16.767 5.334 27.452 1.00 0.00 H new ATOM 0 HE22 GLN A 18 17.891 4.106 28.043 1.00 0.00 H new ATOM 1083 N THR A 19 11.546 2.726 24.753 1.00 0.00 N ATOM 1084 CA THR A 19 11.397 3.038 23.299 1.00 0.00 C ATOM 1085 C THR A 19 9.932 3.339 22.978 1.00 0.00 C ATOM 1086 O THR A 19 9.045 2.579 23.312 1.00 0.00 O ATOM 1087 CB THR A 19 11.835 1.824 22.478 1.00 0.00 C ATOM 1088 OG1 THR A 19 13.127 1.408 22.894 1.00 0.00 O ATOM 1089 CG2 THR A 19 11.868 2.203 20.996 1.00 0.00 C ATOM 0 H THR A 19 11.168 1.822 25.036 1.00 0.00 H new ATOM 0 HA THR A 19 12.012 3.904 23.056 1.00 0.00 H new ATOM 0 HB THR A 19 11.130 1.007 22.630 1.00 0.00 H new ATOM 0 HG1 THR A 19 13.405 0.629 22.368 1.00 0.00 H new ATOM 0 HG21 THR A 19 12.180 1.341 20.407 1.00 0.00 H new ATOM 0 HG22 THR A 19 10.874 2.519 20.679 1.00 0.00 H new ATOM 0 HG23 THR A 19 12.574 3.020 20.845 1.00 0.00 H new ATOM 1097 N THR A 20 9.671 4.441 22.330 1.00 0.00 N ATOM 1098 CA THR A 20 8.262 4.782 21.991 1.00 0.00 C ATOM 1099 C THR A 20 8.247 5.884 20.922 1.00 0.00 C ATOM 1100 O THR A 20 9.138 6.708 20.876 1.00 0.00 O ATOM 1101 CB THR A 20 7.556 5.274 23.257 1.00 0.00 C ATOM 1102 OG1 THR A 20 6.362 5.959 22.908 1.00 0.00 O ATOM 1103 CG2 THR A 20 8.478 6.221 24.028 1.00 0.00 C ATOM 0 H THR A 20 10.370 5.117 22.022 1.00 0.00 H new ATOM 0 HA THR A 20 7.747 3.904 21.602 1.00 0.00 H new ATOM 0 HB THR A 20 7.311 4.416 23.883 1.00 0.00 H new ATOM 0 HG1 THR A 20 6.404 6.880 23.240 1.00 0.00 H new ATOM 0 HG21 THR A 20 7.972 6.569 24.928 1.00 0.00 H new ATOM 0 HG22 THR A 20 9.391 5.694 24.306 1.00 0.00 H new ATOM 0 HG23 THR A 20 8.729 7.076 23.400 1.00 0.00 H new ATOM 1111 N PRO A 21 7.250 5.908 20.069 1.00 0.00 N ATOM 1112 CA PRO A 21 7.150 6.943 18.997 1.00 0.00 C ATOM 1113 C PRO A 21 6.917 8.337 19.588 1.00 0.00 C ATOM 1114 O PRO A 21 7.226 9.342 18.981 1.00 0.00 O ATOM 1115 CB PRO A 21 5.954 6.484 18.150 1.00 0.00 C ATOM 1116 CG PRO A 21 5.128 5.649 19.072 1.00 0.00 C ATOM 1117 CD PRO A 21 6.114 4.969 20.021 1.00 0.00 C ATOM 0 HA PRO A 21 8.066 7.030 18.412 1.00 0.00 H new ATOM 0 HB2 PRO A 21 5.387 7.335 17.773 1.00 0.00 H new ATOM 0 HB3 PRO A 21 6.281 5.910 17.283 1.00 0.00 H new ATOM 0 HG2 PRO A 21 4.417 6.264 19.623 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.549 4.911 18.517 1.00 0.00 H new ATOM 0 HD2 PRO A 21 5.679 4.815 21.008 1.00 0.00 H new ATOM 0 HD3 PRO A 21 6.418 3.990 19.650 1.00 0.00 H new ATOM 1125 N VAL A 22 6.368 8.399 20.769 1.00 0.00 N ATOM 1126 CA VAL A 22 6.112 9.725 21.396 1.00 0.00 C ATOM 1127 C VAL A 22 5.858 9.553 22.895 1.00 0.00 C ATOM 1128 O VAL A 22 5.233 8.607 23.331 1.00 0.00 O ATOM 1129 CB VAL A 22 4.899 10.378 20.734 1.00 0.00 C ATOM 1130 CG1 VAL A 22 3.683 9.456 20.850 1.00 0.00 C ATOM 1131 CG2 VAL A 22 4.599 11.709 21.427 1.00 0.00 C ATOM 0 H VAL A 22 6.086 7.592 21.325 1.00 0.00 H new ATOM 0 HA VAL A 22 6.985 10.363 21.257 1.00 0.00 H new ATOM 0 HB VAL A 22 5.115 10.553 19.680 1.00 0.00 H new ATOM 0 HG11 VAL A 22 2.822 9.928 20.376 1.00 0.00 H new ATOM 0 HG12 VAL A 22 3.896 8.509 20.355 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.463 9.274 21.902 1.00 0.00 H new ATOM 0 HG21 VAL A 22 3.734 12.177 20.957 1.00 0.00 H new ATOM 0 HG22 VAL A 22 4.387 11.531 22.481 1.00 0.00 H new ATOM 0 HG23 VAL A 22 5.462 12.369 21.337 1.00 0.00 H new ATOM 1141 N TRP A 23 6.363 10.464 23.684 1.00 0.00 N ATOM 1142 CA TRP A 23 6.187 10.374 25.162 1.00 0.00 C ATOM 1143 C TRP A 23 4.923 11.110 25.598 1.00 0.00 C ATOM 1144 O TRP A 23 4.679 12.239 25.222 1.00 0.00 O ATOM 1145 CB TRP A 23 7.400 11.001 25.848 1.00 0.00 C ATOM 1146 CG TRP A 23 8.569 10.089 25.683 1.00 0.00 C ATOM 1147 CD1 TRP A 23 9.573 10.253 24.794 1.00 0.00 C ATOM 1148 CD2 TRP A 23 8.853 8.861 26.404 1.00 0.00 C ATOM 1149 NE1 TRP A 23 10.464 9.204 24.930 1.00 0.00 N ATOM 1150 CE2 TRP A 23 10.062 8.318 25.910 1.00 0.00 C ATOM 1151 CE3 TRP A 23 8.184 8.174 27.431 1.00 0.00 C ATOM 1152 CZ2 TRP A 23 10.589 7.132 26.421 1.00 0.00 C ATOM 1153 CZ3 TRP A 23 8.709 6.983 27.945 1.00 0.00 C ATOM 1154 CH2 TRP A 23 9.909 6.463 27.442 1.00 0.00 C ATOM 0 H TRP A 23 6.895 11.274 23.364 1.00 0.00 H new ATOM 0 HA TRP A 23 6.095 9.325 25.444 1.00 0.00 H new ATOM 0 HB2 TRP A 23 7.618 11.976 25.413 1.00 0.00 H new ATOM 0 HB3 TRP A 23 7.194 11.163 26.906 1.00 0.00 H new ATOM 0 HD1 TRP A 23 9.665 11.069 24.093 1.00 0.00 H new ATOM 0 HE1 TRP A 23 11.313 9.098 24.375 1.00 0.00 H new ATOM 0 HE3 TRP A 23 7.259 8.567 27.826 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 11.514 6.734 26.031 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 8.186 6.462 28.734 1.00 0.00 H new ATOM 0 HH2 TRP A 23 10.309 5.544 27.844 1.00 0.00 H new ATOM 1165 N ARG A 24 4.120 10.465 26.399 1.00 0.00 N ATOM 1166 CA ARG A 24 2.860 11.091 26.888 1.00 0.00 C ATOM 1167 C ARG A 24 3.075 11.593 28.315 1.00 0.00 C ATOM 1168 O ARG A 24 4.044 11.253 28.964 1.00 0.00 O ATOM 1169 CB ARG A 24 1.752 10.034 26.888 1.00 0.00 C ATOM 1170 CG ARG A 24 1.374 9.651 25.450 1.00 0.00 C ATOM 1171 CD ARG A 24 0.363 10.646 24.872 1.00 0.00 C ATOM 1172 NE ARG A 24 0.111 10.332 23.439 1.00 0.00 N ATOM 1173 CZ ARG A 24 -0.986 10.745 22.865 1.00 0.00 C ATOM 1174 NH1 ARG A 24 -1.890 11.376 23.563 1.00 0.00 N ATOM 1175 NH2 ARG A 24 -1.186 10.513 21.597 1.00 0.00 N ATOM 0 H ARG A 24 4.286 9.518 26.740 1.00 0.00 H new ATOM 0 HA ARG A 24 2.580 11.924 26.243 1.00 0.00 H new ATOM 0 HB2 ARG A 24 2.085 9.149 27.431 1.00 0.00 H new ATOM 0 HB3 ARG A 24 0.876 10.417 27.411 1.00 0.00 H new ATOM 0 HG2 ARG A 24 2.268 9.630 24.827 1.00 0.00 H new ATOM 0 HG3 ARG A 24 0.952 8.646 25.435 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -0.570 10.599 25.434 1.00 0.00 H new ATOM 0 HD3 ARG A 24 0.743 11.663 24.970 1.00 0.00 H new ATOM 0 HE ARG A 24 0.795 9.795 22.906 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -1.739 11.547 24.557 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -2.747 11.699 23.114 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -0.485 10.009 21.054 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -2.043 10.836 21.149 1.00 0.00 H new ATOM 1189 N ARG A 25 2.175 12.404 28.804 1.00 0.00 N ATOM 1190 CA ARG A 25 2.306 12.946 30.188 1.00 0.00 C ATOM 1191 C ARG A 25 0.944 12.861 30.884 1.00 0.00 C ATOM 1192 O ARG A 25 -0.081 12.742 30.243 1.00 0.00 O ATOM 1193 CB ARG A 25 2.772 14.402 30.117 1.00 0.00 C ATOM 1194 CG ARG A 25 4.202 14.440 29.571 1.00 0.00 C ATOM 1195 CD ARG A 25 4.695 15.886 29.518 1.00 0.00 C ATOM 1196 NE ARG A 25 5.880 15.969 28.607 1.00 0.00 N ATOM 1197 CZ ARG A 25 6.940 15.234 28.802 1.00 0.00 C ATOM 1198 NH1 ARG A 25 7.089 14.577 29.920 1.00 0.00 N ATOM 1199 NH2 ARG A 25 7.882 15.199 27.900 1.00 0.00 N ATOM 0 H ARG A 25 1.346 12.717 28.298 1.00 0.00 H new ATOM 0 HA ARG A 25 3.037 12.367 30.753 1.00 0.00 H new ATOM 0 HB2 ARG A 25 2.108 14.979 29.474 1.00 0.00 H new ATOM 0 HB3 ARG A 25 2.734 14.858 31.106 1.00 0.00 H new ATOM 0 HG2 ARG A 25 4.859 13.845 30.205 1.00 0.00 H new ATOM 0 HG3 ARG A 25 4.233 13.998 28.575 1.00 0.00 H new ATOM 0 HD2 ARG A 25 3.900 16.541 29.161 1.00 0.00 H new ATOM 0 HD3 ARG A 25 4.965 16.228 30.517 1.00 0.00 H new ATOM 0 HE ARG A 25 5.858 16.614 27.817 1.00 0.00 H new ATOM 0 HH11 ARG A 25 6.375 14.637 30.646 1.00 0.00 H new ATOM 0 HH12 ARG A 25 7.920 14.004 30.068 1.00 0.00 H new ATOM 0 HH21 ARG A 25 7.789 15.746 27.044 1.00 0.00 H new ATOM 0 HH22 ARG A 25 8.711 14.625 28.051 1.00 0.00 H new ATOM 1213 N ASN A 26 0.933 12.907 32.192 1.00 0.00 N ATOM 1214 CA ASN A 26 -0.348 12.816 32.962 1.00 0.00 C ATOM 1215 C ASN A 26 -0.443 14.034 33.898 1.00 0.00 C ATOM 1216 O ASN A 26 0.571 14.504 34.375 1.00 0.00 O ATOM 1217 CB ASN A 26 -0.308 11.520 33.785 1.00 0.00 C ATOM 1218 CG ASN A 26 -1.715 11.133 34.241 1.00 0.00 C ATOM 1219 OD1 ASN A 26 -2.569 10.835 33.430 1.00 0.00 O ATOM 1220 ND2 ASN A 26 -1.995 11.125 35.516 1.00 0.00 N ATOM 0 H ASN A 26 1.769 13.005 32.768 1.00 0.00 H new ATOM 0 HA ASN A 26 -1.212 12.807 32.298 1.00 0.00 H new ATOM 0 HB2 ASN A 26 0.121 10.716 33.188 1.00 0.00 H new ATOM 0 HB3 ASN A 26 0.338 11.653 34.653 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -2.931 10.869 35.831 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -1.278 11.375 36.197 1.00 0.00 H new ATOM 1227 N PRO A 27 -1.623 14.563 34.170 1.00 0.00 N ATOM 1228 CA PRO A 27 -1.777 15.747 35.075 1.00 0.00 C ATOM 1229 C PRO A 27 -0.986 15.640 36.389 1.00 0.00 C ATOM 1230 O PRO A 27 -1.007 16.547 37.198 1.00 0.00 O ATOM 1231 CB PRO A 27 -3.280 15.791 35.362 1.00 0.00 C ATOM 1232 CG PRO A 27 -3.908 15.205 34.144 1.00 0.00 C ATOM 1233 CD PRO A 27 -2.939 14.126 33.650 1.00 0.00 C ATOM 0 HA PRO A 27 -1.383 16.646 34.601 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -3.531 15.217 36.254 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -3.622 16.812 35.533 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -4.884 14.778 34.375 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -4.066 15.967 33.381 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -3.211 13.141 34.029 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -2.936 14.059 32.562 1.00 0.00 H new ATOM 1241 N GLU A 28 -0.267 14.569 36.602 1.00 0.00 N ATOM 1242 CA GLU A 28 0.547 14.440 37.850 1.00 0.00 C ATOM 1243 C GLU A 28 1.996 14.789 37.504 1.00 0.00 C ATOM 1244 O GLU A 28 2.823 15.014 38.366 1.00 0.00 O ATOM 1245 CB GLU A 28 0.471 13.002 38.368 1.00 0.00 C ATOM 1246 CG GLU A 28 -0.938 12.722 38.894 1.00 0.00 C ATOM 1247 CD GLU A 28 -1.018 11.280 39.402 1.00 0.00 C ATOM 1248 OE1 GLU A 28 -0.746 11.069 40.572 1.00 0.00 O ATOM 1249 OE2 GLU A 28 -1.349 10.413 38.610 1.00 0.00 O ATOM 0 H GLU A 28 -0.207 13.775 35.964 1.00 0.00 H new ATOM 0 HA GLU A 28 0.169 15.109 38.623 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.718 12.303 37.569 1.00 0.00 H new ATOM 0 HB3 GLU A 28 1.203 12.851 39.161 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.182 13.416 39.699 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -1.671 12.881 38.103 1.00 0.00 H new ATOM 1256 N GLY A 29 2.295 14.839 36.233 1.00 0.00 N ATOM 1257 CA GLY A 29 3.676 15.174 35.780 1.00 0.00 C ATOM 1258 C GLY A 29 4.537 13.912 35.696 1.00 0.00 C ATOM 1259 O GLY A 29 5.741 13.984 35.548 1.00 0.00 O ATOM 0 H GLY A 29 1.631 14.659 35.480 1.00 0.00 H new ATOM 0 HA2 GLY A 29 3.637 15.659 34.805 1.00 0.00 H new ATOM 0 HA3 GLY A 29 4.129 15.884 36.472 1.00 0.00 H new ATOM 1263 N GLN A 30 3.936 12.754 35.772 1.00 0.00 N ATOM 1264 CA GLN A 30 4.726 11.491 35.678 1.00 0.00 C ATOM 1265 C GLN A 30 4.916 11.133 34.193 1.00 0.00 C ATOM 1266 O GLN A 30 4.002 11.288 33.409 1.00 0.00 O ATOM 1267 CB GLN A 30 3.955 10.371 36.380 1.00 0.00 C ATOM 1268 CG GLN A 30 3.823 10.695 37.871 1.00 0.00 C ATOM 1269 CD GLN A 30 5.154 10.427 38.574 1.00 0.00 C ATOM 1270 OE1 GLN A 30 5.944 9.624 38.119 1.00 0.00 O ATOM 1271 NE2 GLN A 30 5.439 11.068 39.675 1.00 0.00 N ATOM 0 H GLN A 30 2.931 12.628 35.895 1.00 0.00 H new ATOM 0 HA GLN A 30 5.699 11.618 36.152 1.00 0.00 H new ATOM 0 HB2 GLN A 30 2.967 10.260 35.933 1.00 0.00 H new ATOM 0 HB3 GLN A 30 4.473 9.421 36.248 1.00 0.00 H new ATOM 0 HG2 GLN A 30 3.534 11.738 38.003 1.00 0.00 H new ATOM 0 HG3 GLN A 30 3.036 10.087 38.317 1.00 0.00 H new ATOM 0 HE21 GLN A 30 4.777 11.743 40.058 1.00 0.00 H new ATOM 0 HE22 GLN A 30 6.324 10.894 40.152 1.00 0.00 H new ATOM 1280 N PRO A 31 6.075 10.660 33.790 1.00 0.00 N ATOM 1281 CA PRO A 31 6.322 10.294 32.362 1.00 0.00 C ATOM 1282 C PRO A 31 5.659 8.964 31.967 1.00 0.00 C ATOM 1283 O PRO A 31 5.677 8.003 32.710 1.00 0.00 O ATOM 1284 CB PRO A 31 7.850 10.187 32.281 1.00 0.00 C ATOM 1285 CG PRO A 31 8.270 9.773 33.653 1.00 0.00 C ATOM 1286 CD PRO A 31 7.272 10.422 34.620 1.00 0.00 C ATOM 0 HA PRO A 31 5.897 11.027 31.676 1.00 0.00 H new ATOM 0 HB2 PRO A 31 8.157 9.455 31.534 1.00 0.00 H new ATOM 0 HB3 PRO A 31 8.300 11.139 31.999 1.00 0.00 H new ATOM 0 HG2 PRO A 31 8.259 8.688 33.753 1.00 0.00 H new ATOM 0 HG3 PRO A 31 9.287 10.102 33.865 1.00 0.00 H new ATOM 0 HD2 PRO A 31 7.050 9.768 35.463 1.00 0.00 H new ATOM 0 HD3 PRO A 31 7.663 11.352 35.033 1.00 0.00 H new ATOM 1294 N LEU A 32 5.093 8.913 30.790 1.00 0.00 N ATOM 1295 CA LEU A 32 4.433 7.660 30.303 1.00 0.00 C ATOM 1296 C LEU A 32 4.742 7.465 28.817 1.00 0.00 C ATOM 1297 O LEU A 32 4.911 8.418 28.082 1.00 0.00 O ATOM 1298 CB LEU A 32 2.914 7.765 30.465 1.00 0.00 C ATOM 1299 CG LEU A 32 2.527 7.869 31.945 1.00 0.00 C ATOM 1300 CD1 LEU A 32 1.026 8.158 32.045 1.00 0.00 C ATOM 1301 CD2 LEU A 32 2.842 6.552 32.676 1.00 0.00 C ATOM 0 H LEU A 32 5.058 9.695 30.136 1.00 0.00 H new ATOM 0 HA LEU A 32 4.810 6.820 30.886 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.546 8.639 29.927 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.436 6.892 30.020 1.00 0.00 H new ATOM 0 HG LEU A 32 3.099 8.673 32.410 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.739 8.234 33.094 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.802 9.097 31.538 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.468 7.349 31.574 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.562 6.642 33.725 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.279 5.738 32.219 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.909 6.341 32.602 1.00 0.00 H new ATOM 1313 N CYS A 33 4.790 6.243 28.359 1.00 0.00 N ATOM 1314 CA CYS A 33 5.055 6.004 26.914 1.00 0.00 C ATOM 1315 C CYS A 33 3.772 6.278 26.127 1.00 0.00 C ATOM 1316 O CYS A 33 2.835 6.861 26.636 1.00 0.00 O ATOM 1317 CB CYS A 33 5.516 4.562 26.684 1.00 0.00 C ATOM 1318 SG CYS A 33 4.137 3.417 26.920 1.00 0.00 S ATOM 0 H CYS A 33 4.657 5.403 28.922 1.00 0.00 H new ATOM 0 HA CYS A 33 5.848 6.671 26.575 1.00 0.00 H new ATOM 0 HB2 CYS A 33 5.916 4.457 25.675 1.00 0.00 H new ATOM 0 HB3 CYS A 33 6.323 4.317 27.374 1.00 0.00 H new ATOM 0 HG CYS A 33 4.517 2.429 27.675 1.00 0.00 H new ATOM 1323 N ASN A 34 3.723 5.876 24.889 1.00 0.00 N ATOM 1324 CA ASN A 34 2.502 6.131 24.073 1.00 0.00 C ATOM 1325 C ASN A 34 1.386 5.137 24.419 1.00 0.00 C ATOM 1326 O ASN A 34 0.242 5.512 24.581 1.00 0.00 O ATOM 1327 CB ASN A 34 2.858 6.022 22.589 1.00 0.00 C ATOM 1328 CG ASN A 34 3.402 4.626 22.283 1.00 0.00 C ATOM 1329 OD1 ASN A 34 3.885 3.940 23.162 1.00 0.00 O ATOM 1330 ND2 ASN A 34 3.346 4.175 21.059 1.00 0.00 N ATOM 0 H ASN A 34 4.474 5.382 24.406 1.00 0.00 H new ATOM 0 HA ASN A 34 2.137 7.134 24.295 1.00 0.00 H new ATOM 0 HB2 ASN A 34 1.976 6.219 21.980 1.00 0.00 H new ATOM 0 HB3 ASN A 34 3.601 6.776 22.328 1.00 0.00 H new ATOM 0 HD21 ASN A 34 3.708 3.247 20.841 1.00 0.00 H new ATOM 0 HD22 ASN A 34 2.940 4.751 20.321 1.00 0.00 H new ATOM 1337 N ALA A 35 1.695 3.872 24.503 1.00 0.00 N ATOM 1338 CA ALA A 35 0.642 2.856 24.802 1.00 0.00 C ATOM 1339 C ALA A 35 -0.035 3.108 26.162 1.00 0.00 C ATOM 1340 O ALA A 35 -1.245 3.149 26.253 1.00 0.00 O ATOM 1341 CB ALA A 35 1.281 1.467 24.791 1.00 0.00 C ATOM 0 H ALA A 35 2.635 3.495 24.377 1.00 0.00 H new ATOM 0 HA ALA A 35 -0.131 2.929 24.037 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.522 0.716 25.008 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.713 1.273 23.809 1.00 0.00 H new ATOM 0 HB3 ALA A 35 2.064 1.421 25.548 1.00 0.00 H new ATOM 1347 N CYS A 36 0.720 3.251 27.221 1.00 0.00 N ATOM 1348 CA CYS A 36 0.087 3.468 28.561 1.00 0.00 C ATOM 1349 C CYS A 36 -0.747 4.750 28.565 1.00 0.00 C ATOM 1350 O CYS A 36 -1.857 4.778 29.057 1.00 0.00 O ATOM 1351 CB CYS A 36 1.162 3.597 29.641 1.00 0.00 C ATOM 1352 SG CYS A 36 2.127 2.072 29.747 1.00 0.00 S ATOM 0 H CYS A 36 1.740 3.228 27.219 1.00 0.00 H new ATOM 0 HA CYS A 36 -0.553 2.610 28.766 1.00 0.00 H new ATOM 0 HB2 CYS A 36 1.819 4.436 29.412 1.00 0.00 H new ATOM 0 HB3 CYS A 36 0.697 3.809 30.604 1.00 0.00 H new ATOM 0 HG CYS A 36 3.368 2.361 30.007 1.00 0.00 H new ATOM 1357 N GLY A 37 -0.217 5.816 28.036 1.00 0.00 N ATOM 1358 CA GLY A 37 -0.981 7.094 28.029 1.00 0.00 C ATOM 1359 C GLY A 37 -2.287 6.905 27.257 1.00 0.00 C ATOM 1360 O GLY A 37 -3.353 7.266 27.716 1.00 0.00 O ATOM 0 H GLY A 37 0.709 5.858 27.610 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.193 7.409 29.051 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.386 7.883 27.569 1.00 0.00 H new ATOM 1364 N LEU A 38 -2.205 6.348 26.082 1.00 0.00 N ATOM 1365 CA LEU A 38 -3.426 6.136 25.256 1.00 0.00 C ATOM 1366 C LEU A 38 -4.344 5.078 25.877 1.00 0.00 C ATOM 1367 O LEU A 38 -5.521 5.302 26.079 1.00 0.00 O ATOM 1368 CB LEU A 38 -2.994 5.640 23.876 1.00 0.00 C ATOM 1369 CG LEU A 38 -2.232 6.741 23.130 1.00 0.00 C ATOM 1370 CD1 LEU A 38 -1.614 6.143 21.861 1.00 0.00 C ATOM 1371 CD2 LEU A 38 -3.183 7.894 22.761 1.00 0.00 C ATOM 0 H LEU A 38 -1.336 6.027 25.654 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.970 7.079 25.194 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.362 4.758 23.980 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.869 5.339 23.300 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.446 7.138 23.772 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.069 6.918 21.322 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.929 5.340 22.133 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.404 5.745 21.224 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.628 8.668 22.232 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.980 7.517 22.120 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.615 8.314 23.669 1.00 0.00 H new ATOM 1383 N PHE A 39 -3.819 3.913 26.141 1.00 0.00 N ATOM 1384 CA PHE A 39 -4.663 2.820 26.704 1.00 0.00 C ATOM 1385 C PHE A 39 -5.194 3.168 28.099 1.00 0.00 C ATOM 1386 O PHE A 39 -6.364 3.005 28.385 1.00 0.00 O ATOM 1387 CB PHE A 39 -3.839 1.534 26.793 1.00 0.00 C ATOM 1388 CG PHE A 39 -4.730 0.423 27.291 1.00 0.00 C ATOM 1389 CD1 PHE A 39 -4.984 0.296 28.661 1.00 0.00 C ATOM 1390 CD2 PHE A 39 -5.315 -0.466 26.383 1.00 0.00 C ATOM 1391 CE1 PHE A 39 -5.822 -0.723 29.125 1.00 0.00 C ATOM 1392 CE2 PHE A 39 -6.156 -1.486 26.847 1.00 0.00 C ATOM 1393 CZ PHE A 39 -6.410 -1.614 28.218 1.00 0.00 C ATOM 0 H PHE A 39 -2.840 3.670 25.991 1.00 0.00 H new ATOM 0 HA PHE A 39 -5.516 2.686 26.039 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -3.428 1.280 25.816 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -2.994 1.672 27.468 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -4.533 0.985 29.360 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -5.119 -0.366 25.326 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -6.016 -0.823 30.183 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -6.608 -2.173 26.147 1.00 0.00 H new ATOM 0 HZ PHE A 39 -7.059 -2.399 28.576 1.00 0.00 H new ATOM 1403 N LEU A 40 -4.335 3.593 28.984 1.00 0.00 N ATOM 1404 CA LEU A 40 -4.771 3.893 30.381 1.00 0.00 C ATOM 1405 C LEU A 40 -5.844 4.988 30.407 1.00 0.00 C ATOM 1406 O LEU A 40 -6.867 4.848 31.050 1.00 0.00 O ATOM 1407 CB LEU A 40 -3.551 4.350 31.187 1.00 0.00 C ATOM 1408 CG LEU A 40 -3.877 4.390 32.687 1.00 0.00 C ATOM 1409 CD1 LEU A 40 -4.039 2.965 33.246 1.00 0.00 C ATOM 1410 CD2 LEU A 40 -2.736 5.101 33.420 1.00 0.00 C ATOM 0 H LEU A 40 -3.344 3.747 28.800 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.202 2.992 30.816 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.716 3.672 31.009 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -3.236 5.338 30.851 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.814 4.926 32.835 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.270 3.016 34.310 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.850 2.459 32.723 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.112 2.410 33.102 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.955 5.136 34.487 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.805 4.557 33.259 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.634 6.116 33.037 1.00 0.00 H new ATOM 1422 N LYS A 41 -5.622 6.081 29.730 1.00 0.00 N ATOM 1423 CA LYS A 41 -6.631 7.183 29.739 1.00 0.00 C ATOM 1424 C LYS A 41 -7.964 6.673 29.179 1.00 0.00 C ATOM 1425 O LYS A 41 -9.023 6.980 29.692 1.00 0.00 O ATOM 1426 CB LYS A 41 -6.118 8.338 28.870 1.00 0.00 C ATOM 1427 CG LYS A 41 -7.133 9.487 28.860 1.00 0.00 C ATOM 1428 CD LYS A 41 -6.606 10.631 27.990 1.00 0.00 C ATOM 1429 CE LYS A 41 -7.695 11.698 27.845 1.00 0.00 C ATOM 1430 NZ LYS A 41 -7.108 12.940 27.271 1.00 0.00 N ATOM 0 H LYS A 41 -4.788 6.260 29.171 1.00 0.00 H new ATOM 0 HA LYS A 41 -6.784 7.529 30.761 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -5.161 8.692 29.252 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -5.945 7.988 27.852 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -8.091 9.136 28.476 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.307 9.840 29.876 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -5.713 11.065 28.441 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -6.317 10.254 27.009 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -8.494 11.331 27.201 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -8.141 11.910 28.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -7.850 13.662 27.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -6.361 13.294 27.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -6.703 12.732 26.336 1.00 0.00 H new ATOM 1444 N LEU A 42 -7.919 5.926 28.113 1.00 0.00 N ATOM 1445 CA LEU A 42 -9.180 5.421 27.493 1.00 0.00 C ATOM 1446 C LEU A 42 -9.852 4.359 28.368 1.00 0.00 C ATOM 1447 O LEU A 42 -11.061 4.319 28.480 1.00 0.00 O ATOM 1448 CB LEU A 42 -8.850 4.797 26.136 1.00 0.00 C ATOM 1449 CG LEU A 42 -8.315 5.866 25.177 1.00 0.00 C ATOM 1450 CD1 LEU A 42 -7.703 5.174 23.958 1.00 0.00 C ATOM 1451 CD2 LEU A 42 -9.449 6.796 24.718 1.00 0.00 C ATOM 0 H LEU A 42 -7.061 5.641 27.641 1.00 0.00 H new ATOM 0 HA LEU A 42 -9.865 6.262 27.383 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -8.109 4.007 26.261 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -9.742 4.333 25.714 1.00 0.00 H new ATOM 0 HG LEU A 42 -7.562 6.463 25.692 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -7.319 5.925 23.268 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.888 4.525 24.279 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -8.466 4.578 23.457 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -9.050 7.548 24.038 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -10.213 6.212 24.205 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -9.889 7.288 25.585 1.00 0.00 H new ATOM 1463 N HIS A 43 -9.095 3.472 28.951 1.00 0.00 N ATOM 1464 CA HIS A 43 -9.719 2.390 29.771 1.00 0.00 C ATOM 1465 C HIS A 43 -10.004 2.880 31.191 1.00 0.00 C ATOM 1466 O HIS A 43 -11.010 2.533 31.777 1.00 0.00 O ATOM 1467 CB HIS A 43 -8.771 1.189 29.798 1.00 0.00 C ATOM 1468 CG HIS A 43 -8.781 0.530 28.445 1.00 0.00 C ATOM 1469 ND1 HIS A 43 -8.143 1.087 27.347 1.00 0.00 N ATOM 1470 CD2 HIS A 43 -9.370 -0.625 27.991 1.00 0.00 C ATOM 1471 CE1 HIS A 43 -8.365 0.276 26.296 1.00 0.00 C ATOM 1472 NE2 HIS A 43 -9.106 -0.782 26.633 1.00 0.00 N ATOM 0 H HIS A 43 -8.077 3.447 28.897 1.00 0.00 H new ATOM 0 HA HIS A 43 -10.671 2.099 29.326 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -7.761 1.511 30.053 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -9.082 0.480 30.565 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -7.604 1.953 27.338 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -9.949 -1.307 28.595 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -7.989 0.459 25.300 1.00 0.00 H new ATOM 1480 N GLY A 44 -9.153 3.690 31.754 1.00 0.00 N ATOM 1481 CA GLY A 44 -9.419 4.199 33.129 1.00 0.00 C ATOM 1482 C GLY A 44 -9.226 3.102 34.181 1.00 0.00 C ATOM 1483 O GLY A 44 -9.539 3.300 35.338 1.00 0.00 O ATOM 0 H GLY A 44 -8.289 4.021 31.325 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -8.751 5.033 33.345 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -10.437 4.583 33.185 1.00 0.00 H new ATOM 1487 N VAL A 45 -8.719 1.950 33.812 1.00 0.00 N ATOM 1488 CA VAL A 45 -8.520 0.865 34.829 1.00 0.00 C ATOM 1489 C VAL A 45 -7.222 0.102 34.553 1.00 0.00 C ATOM 1490 O VAL A 45 -6.807 -0.066 33.424 1.00 0.00 O ATOM 1491 CB VAL A 45 -9.698 -0.113 34.796 1.00 0.00 C ATOM 1492 CG1 VAL A 45 -10.992 0.631 35.126 1.00 0.00 C ATOM 1493 CG2 VAL A 45 -9.819 -0.742 33.408 1.00 0.00 C ATOM 0 H VAL A 45 -8.436 1.714 32.861 1.00 0.00 H new ATOM 0 HA VAL A 45 -8.460 1.328 35.814 1.00 0.00 H new ATOM 0 HB VAL A 45 -9.526 -0.898 35.533 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -11.829 -0.067 35.102 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -10.915 1.071 36.120 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -11.156 1.420 34.392 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -10.660 -1.436 33.395 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -9.983 0.040 32.667 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -8.901 -1.280 33.171 1.00 0.00 H new ATOM 1503 N VAL A 46 -6.580 -0.357 35.595 1.00 0.00 N ATOM 1504 CA VAL A 46 -5.305 -1.114 35.435 1.00 0.00 C ATOM 1505 C VAL A 46 -5.520 -2.307 34.498 1.00 0.00 C ATOM 1506 O VAL A 46 -6.572 -2.913 34.481 1.00 0.00 O ATOM 1507 CB VAL A 46 -4.851 -1.616 36.807 1.00 0.00 C ATOM 1508 CG1 VAL A 46 -4.615 -0.425 37.739 1.00 0.00 C ATOM 1509 CG2 VAL A 46 -5.937 -2.515 37.404 1.00 0.00 C ATOM 0 H VAL A 46 -6.889 -0.238 36.560 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.544 -0.461 35.007 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.925 -2.180 36.696 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.292 -0.786 38.716 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.844 0.220 37.317 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.541 0.140 37.849 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -5.615 -2.874 38.382 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -6.861 -1.947 37.512 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -6.109 -3.365 36.744 1.00 0.00 H new ATOM 1519 N ARG A 47 -4.527 -2.650 33.716 1.00 0.00 N ATOM 1520 CA ARG A 47 -4.659 -3.804 32.771 1.00 0.00 C ATOM 1521 C ARG A 47 -3.301 -4.526 32.695 1.00 0.00 C ATOM 1522 O ARG A 47 -2.275 -3.877 32.629 1.00 0.00 O ATOM 1523 CB ARG A 47 -5.051 -3.245 31.391 1.00 0.00 C ATOM 1524 CG ARG A 47 -5.206 -4.359 30.336 1.00 0.00 C ATOM 1525 CD ARG A 47 -6.594 -5.012 30.445 1.00 0.00 C ATOM 1526 NE ARG A 47 -6.510 -6.448 30.037 1.00 0.00 N ATOM 1527 CZ ARG A 47 -5.994 -6.801 28.891 1.00 0.00 C ATOM 1528 NH1 ARG A 47 -5.708 -5.904 27.988 1.00 0.00 N ATOM 1529 NH2 ARG A 47 -5.817 -8.067 28.626 1.00 0.00 N ATOM 0 H ARG A 47 -3.624 -2.177 33.691 1.00 0.00 H new ATOM 0 HA ARG A 47 -5.419 -4.510 33.105 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -5.988 -2.694 31.476 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -4.293 -2.535 31.059 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -5.070 -3.944 29.337 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -4.431 -5.112 30.477 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -6.963 -4.936 31.468 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -7.305 -4.485 29.809 1.00 0.00 H new ATOM 0 HE ARG A 47 -6.864 -7.167 30.668 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -5.887 -4.917 28.175 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -5.305 -6.189 27.095 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -6.081 -8.774 29.312 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -5.414 -8.350 27.732 1.00 0.00 H new ATOM 1543 N PRO A 48 -3.270 -5.845 32.715 1.00 0.00 N ATOM 1544 CA PRO A 48 -1.998 -6.620 32.659 1.00 0.00 C ATOM 1545 C PRO A 48 -0.890 -5.928 31.854 1.00 0.00 C ATOM 1546 O PRO A 48 -0.898 -5.919 30.638 1.00 0.00 O ATOM 1547 CB PRO A 48 -2.425 -7.923 31.988 1.00 0.00 C ATOM 1548 CG PRO A 48 -3.837 -8.147 32.446 1.00 0.00 C ATOM 1549 CD PRO A 48 -4.424 -6.766 32.801 1.00 0.00 C ATOM 0 HA PRO A 48 -1.559 -6.745 33.649 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -2.369 -7.845 30.902 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -1.778 -8.750 32.282 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -4.425 -8.625 31.662 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -3.861 -8.809 33.311 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -5.214 -6.479 32.107 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -4.861 -6.764 33.800 1.00 0.00 H new ATOM 1557 N LEU A 49 0.072 -5.367 32.535 1.00 0.00 N ATOM 1558 CA LEU A 49 1.201 -4.694 31.832 1.00 0.00 C ATOM 1559 C LEU A 49 1.945 -5.727 30.983 1.00 0.00 C ATOM 1560 O LEU A 49 2.645 -5.392 30.048 1.00 0.00 O ATOM 1561 CB LEU A 49 2.163 -4.088 32.858 1.00 0.00 C ATOM 1562 CG LEU A 49 1.443 -3.026 33.701 1.00 0.00 C ATOM 1563 CD1 LEU A 49 2.379 -2.559 34.820 1.00 0.00 C ATOM 1564 CD2 LEU A 49 1.048 -1.823 32.826 1.00 0.00 C ATOM 0 H LEU A 49 0.124 -5.346 33.553 1.00 0.00 H new ATOM 0 HA LEU A 49 0.813 -3.900 31.194 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.555 -4.872 33.506 1.00 0.00 H new ATOM 0 HB3 LEU A 49 3.015 -3.640 32.347 1.00 0.00 H new ATOM 0 HG LEU A 49 0.538 -3.460 34.126 1.00 0.00 H new ATOM 0 HD11 LEU A 49 1.876 -1.804 35.424 1.00 0.00 H new ATOM 0 HD12 LEU A 49 2.646 -3.408 35.449 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.282 -2.132 34.384 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.539 -1.079 33.439 1.00 0.00 H new ATOM 0 HD22 LEU A 49 1.944 -1.381 32.389 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.382 -2.155 32.030 1.00 0.00 H new ATOM 1576 N SER A 50 1.811 -6.982 31.316 1.00 0.00 N ATOM 1577 CA SER A 50 2.522 -8.044 30.550 1.00 0.00 C ATOM 1578 C SER A 50 2.177 -7.938 29.062 1.00 0.00 C ATOM 1579 O SER A 50 2.751 -8.623 28.239 1.00 0.00 O ATOM 1580 CB SER A 50 2.104 -9.419 31.072 1.00 0.00 C ATOM 1581 OG SER A 50 2.942 -10.413 30.497 1.00 0.00 O ATOM 0 H SER A 50 1.237 -7.318 32.089 1.00 0.00 H new ATOM 0 HA SER A 50 3.597 -7.915 30.678 1.00 0.00 H new ATOM 0 HB2 SER A 50 2.180 -9.447 32.159 1.00 0.00 H new ATOM 0 HB3 SER A 50 1.062 -9.615 30.820 1.00 0.00 H new ATOM 0 HG SER A 50 3.249 -10.113 29.616 1.00 0.00 H new ATOM 1587 N LEU A 51 1.264 -7.077 28.701 1.00 0.00 N ATOM 1588 CA LEU A 51 0.925 -6.937 27.255 1.00 0.00 C ATOM 1589 C LEU A 51 2.063 -6.185 26.572 1.00 0.00 C ATOM 1590 O LEU A 51 2.467 -6.505 25.470 1.00 0.00 O ATOM 1591 CB LEU A 51 -0.355 -6.115 27.101 1.00 0.00 C ATOM 1592 CG LEU A 51 -1.532 -6.821 27.787 1.00 0.00 C ATOM 1593 CD1 LEU A 51 -2.636 -5.801 28.069 1.00 0.00 C ATOM 1594 CD2 LEU A 51 -2.094 -7.921 26.878 1.00 0.00 C ATOM 0 H LEU A 51 0.744 -6.471 29.336 1.00 0.00 H new ATOM 0 HA LEU A 51 0.782 -7.923 26.812 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.213 -5.125 27.536 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.576 -5.970 26.044 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.182 -7.267 28.718 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -3.475 -6.298 28.556 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.250 -5.018 28.721 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.972 -5.359 27.131 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.928 -8.414 27.377 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.439 -7.479 25.943 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.314 -8.653 26.667 1.00 0.00 H new ATOM 1606 N LYS A 52 2.588 -5.191 27.234 1.00 0.00 N ATOM 1607 CA LYS A 52 3.713 -4.397 26.660 1.00 0.00 C ATOM 1608 C LYS A 52 4.740 -5.337 26.025 1.00 0.00 C ATOM 1609 O LYS A 52 4.798 -6.511 26.332 1.00 0.00 O ATOM 1610 CB LYS A 52 4.377 -3.594 27.791 1.00 0.00 C ATOM 1611 CG LYS A 52 5.534 -2.725 27.250 1.00 0.00 C ATOM 1612 CD LYS A 52 6.893 -3.437 27.427 1.00 0.00 C ATOM 1613 CE LYS A 52 7.503 -3.097 28.791 1.00 0.00 C ATOM 1614 NZ LYS A 52 8.607 -4.053 29.090 1.00 0.00 N ATOM 0 H LYS A 52 2.282 -4.891 28.160 1.00 0.00 H new ATOM 0 HA LYS A 52 3.334 -3.719 25.895 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.635 -2.958 28.274 1.00 0.00 H new ATOM 0 HB3 LYS A 52 4.755 -4.276 28.552 1.00 0.00 H new ATOM 0 HG2 LYS A 52 5.368 -2.509 26.195 1.00 0.00 H new ATOM 0 HG3 LYS A 52 5.550 -1.769 27.773 1.00 0.00 H new ATOM 0 HD2 LYS A 52 6.759 -4.515 27.340 1.00 0.00 H new ATOM 0 HD3 LYS A 52 7.575 -3.135 26.632 1.00 0.00 H new ATOM 0 HE2 LYS A 52 7.882 -2.075 28.788 1.00 0.00 H new ATOM 0 HE3 LYS A 52 6.740 -3.151 29.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 9.023 -3.825 30.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 8.231 -5.022 29.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 9.338 -3.980 28.354 1.00 0.00 H new ATOM 1628 N THR A 53 5.571 -4.818 25.164 1.00 0.00 N ATOM 1629 CA THR A 53 6.629 -5.654 24.525 1.00 0.00 C ATOM 1630 C THR A 53 7.851 -4.781 24.270 1.00 0.00 C ATOM 1631 O THR A 53 7.779 -3.569 24.316 1.00 0.00 O ATOM 1632 CB THR A 53 6.140 -6.223 23.192 1.00 0.00 C ATOM 1633 OG1 THR A 53 7.265 -6.597 22.408 1.00 0.00 O ATOM 1634 CG2 THR A 53 5.322 -5.169 22.444 1.00 0.00 C ATOM 0 H THR A 53 5.563 -3.841 24.872 1.00 0.00 H new ATOM 0 HA THR A 53 6.875 -6.482 25.189 1.00 0.00 H new ATOM 0 HB THR A 53 5.511 -7.094 23.377 1.00 0.00 H new ATOM 0 HG1 THR A 53 6.960 -6.964 21.552 1.00 0.00 H new ATOM 0 HG21 THR A 53 4.977 -5.581 21.496 1.00 0.00 H new ATOM 0 HG22 THR A 53 4.462 -4.880 23.048 1.00 0.00 H new ATOM 0 HG23 THR A 53 5.943 -4.294 22.254 1.00 0.00 H new ATOM 1642 N ASP A 54 8.975 -5.380 23.997 1.00 0.00 N ATOM 1643 CA ASP A 54 10.201 -4.576 23.735 1.00 0.00 C ATOM 1644 C ASP A 54 10.294 -4.336 22.228 1.00 0.00 C ATOM 1645 O ASP A 54 11.135 -3.602 21.749 1.00 0.00 O ATOM 1646 CB ASP A 54 11.421 -5.360 24.217 1.00 0.00 C ATOM 1647 CG ASP A 54 11.413 -5.413 25.746 1.00 0.00 C ATOM 1648 OD1 ASP A 54 10.765 -4.569 26.344 1.00 0.00 O ATOM 1649 OD2 ASP A 54 12.046 -6.300 26.293 1.00 0.00 O ATOM 0 H ASP A 54 9.099 -6.391 23.944 1.00 0.00 H new ATOM 0 HA ASP A 54 10.163 -3.622 24.261 1.00 0.00 H new ATOM 0 HB2 ASP A 54 11.405 -6.369 23.806 1.00 0.00 H new ATOM 0 HB3 ASP A 54 12.336 -4.886 23.862 1.00 0.00 H new ATOM 1654 N VAL A 55 9.394 -4.934 21.490 1.00 0.00 N ATOM 1655 CA VAL A 55 9.353 -4.746 20.009 1.00 0.00 C ATOM 1656 C VAL A 55 8.051 -4.018 19.677 1.00 0.00 C ATOM 1657 O VAL A 55 7.009 -4.333 20.216 1.00 0.00 O ATOM 1658 CB VAL A 55 9.369 -6.107 19.307 1.00 0.00 C ATOM 1659 CG1 VAL A 55 9.561 -5.902 17.802 1.00 0.00 C ATOM 1660 CG2 VAL A 55 10.518 -6.957 19.853 1.00 0.00 C ATOM 0 H VAL A 55 8.674 -5.555 21.858 1.00 0.00 H new ATOM 0 HA VAL A 55 10.218 -4.174 19.673 1.00 0.00 H new ATOM 0 HB VAL A 55 8.423 -6.617 19.490 1.00 0.00 H new ATOM 0 HG11 VAL A 55 9.573 -6.870 17.301 1.00 0.00 H new ATOM 0 HG12 VAL A 55 8.741 -5.300 17.409 1.00 0.00 H new ATOM 0 HG13 VAL A 55 10.506 -5.389 17.622 1.00 0.00 H new ATOM 0 HG21 VAL A 55 10.526 -7.924 19.351 1.00 0.00 H new ATOM 0 HG22 VAL A 55 11.465 -6.448 19.673 1.00 0.00 H new ATOM 0 HG23 VAL A 55 10.383 -7.106 20.924 1.00 0.00 H new ATOM 1670 N ILE A 56 8.094 -3.047 18.802 1.00 0.00 N ATOM 1671 CA ILE A 56 6.850 -2.299 18.444 1.00 0.00 C ATOM 1672 C ILE A 56 6.372 -2.768 17.072 1.00 0.00 C ATOM 1673 O ILE A 56 7.133 -2.826 16.126 1.00 0.00 O ATOM 1674 CB ILE A 56 7.150 -0.800 18.389 1.00 0.00 C ATOM 1675 CG1 ILE A 56 7.695 -0.340 19.742 1.00 0.00 C ATOM 1676 CG2 ILE A 56 5.853 -0.040 18.092 1.00 0.00 C ATOM 1677 CD1 ILE A 56 8.249 1.080 19.615 1.00 0.00 C ATOM 0 H ILE A 56 8.938 -2.739 18.319 1.00 0.00 H new ATOM 0 HA ILE A 56 6.080 -2.485 19.193 1.00 0.00 H new ATOM 0 HB ILE A 56 7.886 -0.604 17.609 1.00 0.00 H new ATOM 0 HG12 ILE A 56 6.905 -0.367 20.492 1.00 0.00 H new ATOM 0 HG13 ILE A 56 8.479 -1.018 20.080 1.00 0.00 H new ATOM 0 HG21 ILE A 56 6.059 1.030 18.051 1.00 0.00 H new ATOM 0 HG22 ILE A 56 5.450 -0.369 17.134 1.00 0.00 H new ATOM 0 HG23 ILE A 56 5.126 -0.240 18.879 1.00 0.00 H new ATOM 0 HD11 ILE A 56 8.637 1.407 20.580 1.00 0.00 H new ATOM 0 HD12 ILE A 56 9.052 1.093 18.878 1.00 0.00 H new ATOM 0 HD13 ILE A 56 7.453 1.754 19.297 1.00 0.00 H new ATOM 1689 N LYS A 57 5.120 -3.109 16.956 1.00 0.00 N ATOM 1690 CA LYS A 57 4.601 -3.580 15.643 1.00 0.00 C ATOM 1691 C LYS A 57 4.350 -2.363 14.751 1.00 0.00 C ATOM 1692 O LYS A 57 3.773 -1.381 15.174 1.00 0.00 O ATOM 1693 CB LYS A 57 3.287 -4.339 15.871 1.00 0.00 C ATOM 1694 CG LYS A 57 2.751 -4.922 14.554 1.00 0.00 C ATOM 1695 CD LYS A 57 3.626 -6.094 14.088 1.00 0.00 C ATOM 1696 CE LYS A 57 2.867 -6.917 13.044 1.00 0.00 C ATOM 1697 NZ LYS A 57 1.681 -7.558 13.680 1.00 0.00 N ATOM 0 H LYS A 57 4.435 -3.082 17.711 1.00 0.00 H new ATOM 0 HA LYS A 57 5.321 -4.242 15.163 1.00 0.00 H new ATOM 0 HB2 LYS A 57 3.447 -5.143 16.590 1.00 0.00 H new ATOM 0 HB3 LYS A 57 2.546 -3.667 16.304 1.00 0.00 H new ATOM 0 HG2 LYS A 57 1.724 -5.260 14.691 1.00 0.00 H new ATOM 0 HG3 LYS A 57 2.733 -4.147 13.788 1.00 0.00 H new ATOM 0 HD2 LYS A 57 4.558 -5.719 13.664 1.00 0.00 H new ATOM 0 HD3 LYS A 57 3.893 -6.722 14.938 1.00 0.00 H new ATOM 0 HE2 LYS A 57 2.549 -6.276 12.221 1.00 0.00 H new ATOM 0 HE3 LYS A 57 3.522 -7.679 12.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 1.470 -8.454 13.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 1.883 -7.745 14.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 0.861 -6.923 13.605 1.00 0.00 H new ATOM 1711 N LYS A 58 4.796 -2.411 13.527 1.00 0.00 N ATOM 1712 CA LYS A 58 4.601 -1.250 12.614 1.00 0.00 C ATOM 1713 C LYS A 58 3.130 -1.171 12.193 1.00 0.00 C ATOM 1714 O LYS A 58 2.452 -2.174 12.087 1.00 0.00 O ATOM 1715 CB LYS A 58 5.483 -1.420 11.372 1.00 0.00 C ATOM 1716 CG LYS A 58 6.961 -1.326 11.766 1.00 0.00 C ATOM 1717 CD LYS A 58 7.836 -1.497 10.521 1.00 0.00 C ATOM 1718 CE LYS A 58 9.314 -1.402 10.911 1.00 0.00 C ATOM 1719 NZ LYS A 58 10.161 -1.921 9.799 1.00 0.00 N ATOM 0 H LYS A 58 5.288 -3.206 13.118 1.00 0.00 H new ATOM 0 HA LYS A 58 4.879 -0.332 13.131 1.00 0.00 H new ATOM 0 HB2 LYS A 58 5.283 -2.383 10.902 1.00 0.00 H new ATOM 0 HB3 LYS A 58 5.244 -0.651 10.637 1.00 0.00 H new ATOM 0 HG2 LYS A 58 7.162 -0.363 12.235 1.00 0.00 H new ATOM 0 HG3 LYS A 58 7.202 -2.095 12.500 1.00 0.00 H new ATOM 0 HD2 LYS A 58 7.635 -2.461 10.053 1.00 0.00 H new ATOM 0 HD3 LYS A 58 7.594 -0.729 9.786 1.00 0.00 H new ATOM 0 HE2 LYS A 58 9.577 -0.367 11.129 1.00 0.00 H new ATOM 0 HE3 LYS A 58 9.498 -1.975 11.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 11.164 -1.855 10.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 9.917 -2.914 9.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 9.994 -1.356 8.942 1.00 0.00 H new ATOM 1733 N ARG A 59 2.649 0.014 11.909 1.00 0.00 N ATOM 1734 CA ARG A 59 1.238 0.196 11.441 1.00 0.00 C ATOM 1735 C ARG A 59 1.283 0.941 10.104 1.00 0.00 C ATOM 1736 O ARG A 59 2.285 1.531 9.754 1.00 0.00 O ATOM 1737 CB ARG A 59 0.433 1.007 12.459 1.00 0.00 C ATOM 1738 CG ARG A 59 0.299 0.239 13.781 1.00 0.00 C ATOM 1739 CD ARG A 59 -0.518 -1.044 13.586 1.00 0.00 C ATOM 1740 NE ARG A 59 -1.618 -0.810 12.613 1.00 0.00 N ATOM 1741 CZ ARG A 59 -2.199 -1.822 12.032 1.00 0.00 C ATOM 1742 NH1 ARG A 59 -1.820 -3.039 12.310 1.00 0.00 N ATOM 1743 NH2 ARG A 59 -3.156 -1.615 11.170 1.00 0.00 N ATOM 0 H ARG A 59 3.184 0.879 11.983 1.00 0.00 H new ATOM 0 HA ARG A 59 0.755 -0.774 11.328 1.00 0.00 H new ATOM 0 HB2 ARG A 59 0.922 1.965 12.637 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -0.557 1.225 12.057 1.00 0.00 H new ATOM 0 HG2 ARG A 59 1.289 -0.010 14.164 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -0.182 0.872 14.527 1.00 0.00 H new ATOM 0 HD2 ARG A 59 0.129 -1.845 13.229 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -0.931 -1.370 14.541 1.00 0.00 H new ATOM 0 HE ARG A 59 -1.918 0.142 12.400 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -1.069 -3.198 12.982 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -2.274 -3.831 11.856 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -3.448 -0.663 10.952 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -3.612 -2.406 10.714 1.00 0.00 H new ATOM 1757 N ASN A 60 0.237 0.886 9.327 1.00 0.00 N ATOM 1758 CA ASN A 60 0.262 1.552 7.992 1.00 0.00 C ATOM 1759 C ASN A 60 0.144 3.070 8.137 1.00 0.00 C ATOM 1760 O ASN A 60 -0.039 3.595 9.217 1.00 0.00 O ATOM 1761 CB ASN A 60 -0.904 1.033 7.148 1.00 0.00 C ATOM 1762 CG ASN A 60 -0.688 -0.450 6.839 1.00 0.00 C ATOM 1763 OD1 ASN A 60 -1.620 -1.229 6.863 1.00 0.00 O ATOM 1764 ND2 ASN A 60 0.511 -0.876 6.551 1.00 0.00 N ATOM 0 H ASN A 60 -0.635 0.409 9.558 1.00 0.00 H new ATOM 0 HA ASN A 60 1.211 1.323 7.507 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -1.844 1.171 7.682 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -0.978 1.602 6.221 1.00 0.00 H new ATOM 0 HD21 ASN A 60 0.666 -1.863 6.346 1.00 0.00 H new ATOM 0 HD22 ASN A 60 1.293 -0.222 6.531 1.00 0.00 H new