USER MOD reduce.3.24.130724 H: found=0, std=0, add=411, rem=0, adj=14 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 157:sc= 1.98 USER MOD Set 1.2: A 15 CYS SG : rot -59:sc= 0.636 USER MOD Set 1.3: A 17 THR OG1 : rot 98:sc= -0.266! USER MOD Set 1.4: A 33 CYS SG : rot -134:sc= 1.22 USER MOD Set 1.5: A 36 CYS SG : rot 146:sc= 0.201 USER MOD Set 2.1: A 20 THR OG1 : rot -116:sc= -0.0328 USER MOD Set 2.2: A 34 ASN : amide:sc= -3.68! C(o=-3.7!,f=-11!) USER MOD Single : A 11 THR OG1 : rot 30:sc= 0.108 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -4.46! C(o=-4.5!,f=-3.9!) USER MOD Single : A 18 GLN : amide:sc= -4.1! C(o=-4.1!,f=-7.8!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -0.956 X(o=-0.96,f=-1.1) USER MOD Single : A 30 GLN : amide:sc= -0.75! X(o=-0.75!,f=-1.1) USER MOD Single : A 41 LYS NZ :NH3+ -129:sc= -0.969 (180deg=-2.86!) USER MOD Single : A 43 HIS : no HE2:sc= -12! C(o=-12!,f=-13!) USER MOD Single : A 50 SER OG : rot -34:sc= 0.154 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.0781 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00629) USER MOD Single : A 60 ASN : amide:sc= -5.95! K(o=-6!,f=-0.75) USER MOD ----------------------------------------------------------------- ATOM 970 N THR A 11 11.567 7.368 31.733 1.00 0.00 N ATOM 971 CA THR A 11 11.190 5.937 31.929 1.00 0.00 C ATOM 972 C THR A 11 9.695 5.865 32.230 1.00 0.00 C ATOM 973 O THR A 11 9.182 6.609 33.042 1.00 0.00 O ATOM 974 CB THR A 11 11.976 5.366 33.113 1.00 0.00 C ATOM 975 OG1 THR A 11 13.367 5.461 32.843 1.00 0.00 O ATOM 976 CG2 THR A 11 11.595 3.899 33.325 1.00 0.00 C ATOM 0 HA THR A 11 11.418 5.361 31.032 1.00 0.00 H new ATOM 0 HB THR A 11 11.739 5.933 34.013 1.00 0.00 H new ATOM 0 HG1 THR A 11 13.536 6.232 32.262 1.00 0.00 H new ATOM 0 HG21 THR A 11 12.156 3.496 34.168 1.00 0.00 H new ATOM 0 HG22 THR A 11 10.527 3.827 33.532 1.00 0.00 H new ATOM 0 HG23 THR A 11 11.830 3.329 32.426 1.00 0.00 H new ATOM 984 N CYS A 12 8.982 4.985 31.583 1.00 0.00 N ATOM 985 CA CYS A 12 7.521 4.894 31.846 1.00 0.00 C ATOM 986 C CYS A 12 7.289 4.382 33.266 1.00 0.00 C ATOM 987 O CYS A 12 7.500 3.224 33.569 1.00 0.00 O ATOM 988 CB CYS A 12 6.867 3.947 30.845 1.00 0.00 C ATOM 989 SG CYS A 12 5.080 4.231 30.846 1.00 0.00 S ATOM 0 H CYS A 12 9.345 4.331 30.890 1.00 0.00 H new ATOM 0 HA CYS A 12 7.077 5.884 31.739 1.00 0.00 H new ATOM 0 HB2 CYS A 12 7.274 4.114 29.848 1.00 0.00 H new ATOM 0 HB3 CYS A 12 7.084 2.912 31.109 1.00 0.00 H new ATOM 0 HG CYS A 12 4.575 3.823 29.720 1.00 0.00 H new ATOM 994 N THR A 13 6.836 5.245 34.130 1.00 0.00 N ATOM 995 CA THR A 13 6.572 4.837 35.536 1.00 0.00 C ATOM 996 C THR A 13 5.442 3.807 35.571 1.00 0.00 C ATOM 997 O THR A 13 5.176 3.211 36.596 1.00 0.00 O ATOM 998 CB THR A 13 6.163 6.066 36.352 1.00 0.00 C ATOM 999 OG1 THR A 13 5.091 6.729 35.698 1.00 0.00 O ATOM 1000 CG2 THR A 13 7.351 7.020 36.485 1.00 0.00 C ATOM 0 H THR A 13 6.636 6.223 33.921 1.00 0.00 H new ATOM 0 HA THR A 13 7.475 4.397 35.960 1.00 0.00 H new ATOM 0 HB THR A 13 5.846 5.750 37.346 1.00 0.00 H new ATOM 0 HG1 THR A 13 4.826 7.515 36.219 1.00 0.00 H new ATOM 0 HG21 THR A 13 7.054 7.893 37.067 1.00 0.00 H new ATOM 0 HG22 THR A 13 8.172 6.510 36.989 1.00 0.00 H new ATOM 0 HG23 THR A 13 7.675 7.338 35.494 1.00 0.00 H new ATOM 1008 N ASN A 14 4.766 3.595 34.469 1.00 0.00 N ATOM 1009 CA ASN A 14 3.644 2.608 34.455 1.00 0.00 C ATOM 1010 C ASN A 14 4.110 1.263 33.880 1.00 0.00 C ATOM 1011 O ASN A 14 3.668 0.224 34.327 1.00 0.00 O ATOM 1012 CB ASN A 14 2.503 3.148 33.585 1.00 0.00 C ATOM 1013 CG ASN A 14 1.724 4.225 34.344 1.00 0.00 C ATOM 1014 OD1 ASN A 14 0.741 4.740 33.847 1.00 0.00 O ATOM 1015 ND2 ASN A 14 2.124 4.601 35.527 1.00 0.00 N ATOM 0 H ASN A 14 4.943 4.062 33.580 1.00 0.00 H new ATOM 0 HA ASN A 14 3.303 2.458 35.479 1.00 0.00 H new ATOM 0 HB2 ASN A 14 2.906 3.563 32.661 1.00 0.00 H new ATOM 0 HB3 ASN A 14 1.834 2.335 33.304 1.00 0.00 H new ATOM 0 HD21 ASN A 14 1.613 5.325 36.032 1.00 0.00 H new ATOM 0 HD22 ASN A 14 2.948 4.171 35.947 1.00 0.00 H new ATOM 1022 N CYS A 15 4.976 1.257 32.889 1.00 0.00 N ATOM 1023 CA CYS A 15 5.428 -0.049 32.296 1.00 0.00 C ATOM 1024 C CYS A 15 6.946 -0.060 32.087 1.00 0.00 C ATOM 1025 O CYS A 15 7.479 -0.965 31.476 1.00 0.00 O ATOM 1026 CB CYS A 15 4.715 -0.298 30.958 1.00 0.00 C ATOM 1027 SG CYS A 15 5.423 0.733 29.647 1.00 0.00 S ATOM 0 H CYS A 15 5.386 2.091 32.468 1.00 0.00 H new ATOM 0 HA CYS A 15 5.171 -0.845 32.994 1.00 0.00 H new ATOM 0 HB2 CYS A 15 4.801 -1.350 30.686 1.00 0.00 H new ATOM 0 HB3 CYS A 15 3.652 -0.082 31.062 1.00 0.00 H new ATOM 0 HG CYS A 15 5.303 1.987 29.969 1.00 0.00 H new ATOM 1032 N PHE A 16 7.647 0.916 32.602 1.00 0.00 N ATOM 1033 CA PHE A 16 9.136 0.948 32.463 1.00 0.00 C ATOM 1034 C PHE A 16 9.577 0.927 30.997 1.00 0.00 C ATOM 1035 O PHE A 16 10.756 0.863 30.712 1.00 0.00 O ATOM 1036 CB PHE A 16 9.758 -0.248 33.188 1.00 0.00 C ATOM 1037 CG PHE A 16 9.509 -0.131 34.672 1.00 0.00 C ATOM 1038 CD1 PHE A 16 8.357 -0.693 35.236 1.00 0.00 C ATOM 1039 CD2 PHE A 16 10.433 0.535 35.485 1.00 0.00 C ATOM 1040 CE1 PHE A 16 8.130 -0.589 36.613 1.00 0.00 C ATOM 1041 CE2 PHE A 16 10.206 0.641 36.863 1.00 0.00 C ATOM 1042 CZ PHE A 16 9.054 0.078 37.427 1.00 0.00 C ATOM 0 H PHE A 16 7.249 1.700 33.118 1.00 0.00 H new ATOM 0 HA PHE A 16 9.480 1.881 32.910 1.00 0.00 H new ATOM 0 HB2 PHE A 16 9.330 -1.177 32.810 1.00 0.00 H new ATOM 0 HB3 PHE A 16 10.829 -0.287 32.992 1.00 0.00 H new ATOM 0 HD1 PHE A 16 7.644 -1.207 34.608 1.00 0.00 H new ATOM 0 HD2 PHE A 16 11.322 0.968 35.050 1.00 0.00 H new ATOM 0 HE1 PHE A 16 7.242 -1.023 37.048 1.00 0.00 H new ATOM 0 HE2 PHE A 16 10.918 1.156 37.490 1.00 0.00 H new ATOM 0 HZ PHE A 16 8.878 0.158 38.490 1.00 0.00 H new ATOM 1052 N THR A 17 8.674 0.957 30.055 1.00 0.00 N ATOM 1053 CA THR A 17 9.118 0.910 28.633 1.00 0.00 C ATOM 1054 C THR A 17 10.060 2.085 28.355 1.00 0.00 C ATOM 1055 O THR A 17 9.752 3.218 28.652 1.00 0.00 O ATOM 1056 CB THR A 17 7.900 1.010 27.708 1.00 0.00 C ATOM 1057 OG1 THR A 17 7.145 -0.189 27.791 1.00 0.00 O ATOM 1058 CG2 THR A 17 8.356 1.233 26.263 1.00 0.00 C ATOM 0 H THR A 17 7.666 1.011 30.203 1.00 0.00 H new ATOM 0 HA THR A 17 9.638 -0.030 28.449 1.00 0.00 H new ATOM 0 HB THR A 17 7.282 1.853 28.018 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.396 -0.062 28.410 1.00 0.00 H new ATOM 0 HG21 THR A 17 7.484 1.303 25.613 1.00 0.00 H new ATOM 0 HG22 THR A 17 8.930 2.158 26.201 1.00 0.00 H new ATOM 0 HG23 THR A 17 8.979 0.397 25.945 1.00 0.00 H new ATOM 1066 N GLN A 18 11.207 1.814 27.782 1.00 0.00 N ATOM 1067 CA GLN A 18 12.182 2.905 27.473 1.00 0.00 C ATOM 1068 C GLN A 18 12.102 3.275 25.989 1.00 0.00 C ATOM 1069 O GLN A 18 12.771 4.186 25.540 1.00 0.00 O ATOM 1070 CB GLN A 18 13.607 2.432 27.786 1.00 0.00 C ATOM 1071 CG GLN A 18 13.744 2.102 29.280 1.00 0.00 C ATOM 1072 CD GLN A 18 13.238 0.684 29.558 1.00 0.00 C ATOM 1073 OE1 GLN A 18 12.952 -0.065 28.644 1.00 0.00 O ATOM 1074 NE2 GLN A 18 13.124 0.278 30.793 1.00 0.00 N ATOM 0 H GLN A 18 11.511 0.878 27.514 1.00 0.00 H new ATOM 0 HA GLN A 18 11.936 3.775 28.083 1.00 0.00 H new ATOM 0 HB2 GLN A 18 13.844 1.551 27.189 1.00 0.00 H new ATOM 0 HB3 GLN A 18 14.323 3.206 27.511 1.00 0.00 H new ATOM 0 HG2 GLN A 18 14.787 2.190 29.585 1.00 0.00 H new ATOM 0 HG3 GLN A 18 13.177 2.821 29.872 1.00 0.00 H new ATOM 0 HE21 GLN A 18 13.364 0.906 31.560 1.00 0.00 H new ATOM 0 HE22 GLN A 18 12.795 -0.667 30.991 1.00 0.00 H new ATOM 1083 N THR A 19 11.295 2.582 25.220 1.00 0.00 N ATOM 1084 CA THR A 19 11.178 2.894 23.758 1.00 0.00 C ATOM 1085 C THR A 19 9.730 3.273 23.443 1.00 0.00 C ATOM 1086 O THR A 19 8.804 2.576 23.804 1.00 0.00 O ATOM 1087 CB THR A 19 11.557 1.652 22.942 1.00 0.00 C ATOM 1088 OG1 THR A 19 12.890 1.273 23.251 1.00 0.00 O ATOM 1089 CG2 THR A 19 11.455 1.964 21.446 1.00 0.00 C ATOM 0 H THR A 19 10.710 1.811 25.543 1.00 0.00 H new ATOM 0 HA THR A 19 11.844 3.719 23.504 1.00 0.00 H new ATOM 0 HB THR A 19 10.876 0.838 23.190 1.00 0.00 H new ATOM 0 HG1 THR A 19 13.133 0.478 22.731 1.00 0.00 H new ATOM 0 HG21 THR A 19 11.725 1.079 20.870 1.00 0.00 H new ATOM 0 HG22 THR A 19 10.433 2.256 21.204 1.00 0.00 H new ATOM 0 HG23 THR A 19 12.134 2.780 21.197 1.00 0.00 H new ATOM 1097 N THR A 20 9.525 4.377 22.775 1.00 0.00 N ATOM 1098 CA THR A 20 8.132 4.795 22.448 1.00 0.00 C ATOM 1099 C THR A 20 8.162 5.865 21.346 1.00 0.00 C ATOM 1100 O THR A 20 9.060 6.684 21.309 1.00 0.00 O ATOM 1101 CB THR A 20 7.487 5.376 23.710 1.00 0.00 C ATOM 1102 OG1 THR A 20 6.139 5.734 23.438 1.00 0.00 O ATOM 1103 CG2 THR A 20 8.261 6.615 24.161 1.00 0.00 C ATOM 0 H THR A 20 10.258 5.004 22.443 1.00 0.00 H new ATOM 0 HA THR A 20 7.558 3.938 22.097 1.00 0.00 H new ATOM 0 HB THR A 20 7.510 4.626 24.501 1.00 0.00 H new ATOM 0 HG1 THR A 20 6.032 6.703 23.536 1.00 0.00 H new ATOM 0 HG21 THR A 20 7.799 7.026 25.059 1.00 0.00 H new ATOM 0 HG22 THR A 20 9.293 6.340 24.377 1.00 0.00 H new ATOM 0 HG23 THR A 20 8.243 7.364 23.369 1.00 0.00 H new ATOM 1111 N PRO A 21 7.198 5.875 20.455 1.00 0.00 N ATOM 1112 CA PRO A 21 7.148 6.882 19.353 1.00 0.00 C ATOM 1113 C PRO A 21 6.957 8.305 19.895 1.00 0.00 C ATOM 1114 O PRO A 21 7.286 9.278 19.244 1.00 0.00 O ATOM 1115 CB PRO A 21 5.959 6.435 18.486 1.00 0.00 C ATOM 1116 CG PRO A 21 5.108 5.592 19.382 1.00 0.00 C ATOM 1117 CD PRO A 21 6.057 4.943 20.390 1.00 0.00 C ATOM 0 HA PRO A 21 8.078 6.922 18.786 1.00 0.00 H new ATOM 0 HB2 PRO A 21 5.403 7.293 18.110 1.00 0.00 H new ATOM 0 HB3 PRO A 21 6.297 5.869 17.618 1.00 0.00 H new ATOM 0 HG2 PRO A 21 4.358 6.199 19.889 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.572 4.835 18.810 1.00 0.00 H new ATOM 0 HD2 PRO A 21 5.583 4.823 21.364 1.00 0.00 H new ATOM 0 HD3 PRO A 21 6.370 3.951 20.063 1.00 0.00 H new ATOM 1125 N VAL A 22 6.437 8.431 21.086 1.00 0.00 N ATOM 1126 CA VAL A 22 6.239 9.786 21.676 1.00 0.00 C ATOM 1127 C VAL A 22 5.939 9.659 23.171 1.00 0.00 C ATOM 1128 O VAL A 22 5.233 8.770 23.605 1.00 0.00 O ATOM 1129 CB VAL A 22 5.086 10.514 20.974 1.00 0.00 C ATOM 1130 CG1 VAL A 22 3.824 9.648 21.005 1.00 0.00 C ATOM 1131 CG2 VAL A 22 4.813 11.846 21.686 1.00 0.00 C ATOM 0 H VAL A 22 6.141 7.654 21.676 1.00 0.00 H new ATOM 0 HA VAL A 22 7.152 10.365 21.537 1.00 0.00 H new ATOM 0 HB VAL A 22 5.362 10.704 19.937 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.010 10.173 20.504 1.00 0.00 H new ATOM 0 HG12 VAL A 22 4.017 8.705 20.493 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.545 9.449 22.040 1.00 0.00 H new ATOM 0 HG21 VAL A 22 3.994 12.364 21.187 1.00 0.00 H new ATOM 0 HG22 VAL A 22 4.543 11.655 22.725 1.00 0.00 H new ATOM 0 HG23 VAL A 22 5.708 12.467 21.652 1.00 0.00 H new ATOM 1141 N TRP A 23 6.489 10.543 23.958 1.00 0.00 N ATOM 1142 CA TRP A 23 6.263 10.488 25.431 1.00 0.00 C ATOM 1143 C TRP A 23 4.995 11.264 25.792 1.00 0.00 C ATOM 1144 O TRP A 23 4.776 12.370 25.339 1.00 0.00 O ATOM 1145 CB TRP A 23 7.466 11.096 26.157 1.00 0.00 C ATOM 1146 CG TRP A 23 8.618 10.143 26.099 1.00 0.00 C ATOM 1147 CD1 TRP A 23 9.731 10.310 25.349 1.00 0.00 C ATOM 1148 CD2 TRP A 23 8.787 8.878 26.804 1.00 0.00 C ATOM 1149 NE1 TRP A 23 10.574 9.233 25.552 1.00 0.00 N ATOM 1150 CE2 TRP A 23 10.037 8.323 26.438 1.00 0.00 C ATOM 1151 CE3 TRP A 23 7.988 8.167 27.715 1.00 0.00 C ATOM 1152 CZ2 TRP A 23 10.475 7.105 26.957 1.00 0.00 C ATOM 1153 CZ3 TRP A 23 8.426 6.942 28.240 1.00 0.00 C ATOM 1154 CH2 TRP A 23 9.666 6.413 27.861 1.00 0.00 C ATOM 0 H TRP A 23 7.089 11.305 23.642 1.00 0.00 H new ATOM 0 HA TRP A 23 6.143 9.449 25.737 1.00 0.00 H new ATOM 0 HB2 TRP A 23 7.741 12.044 25.696 1.00 0.00 H new ATOM 0 HB3 TRP A 23 7.208 11.309 27.194 1.00 0.00 H new ATOM 0 HD1 TRP A 23 9.929 11.148 24.697 1.00 0.00 H new ATOM 0 HE1 TRP A 23 11.483 9.125 25.101 1.00 0.00 H new ATOM 0 HE3 TRP A 23 7.030 8.566 28.013 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 11.432 6.700 26.662 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 7.804 6.404 28.940 1.00 0.00 H new ATOM 0 HH2 TRP A 23 9.997 5.469 28.268 1.00 0.00 H new ATOM 1165 N ARG A 24 4.157 10.679 26.605 1.00 0.00 N ATOM 1166 CA ARG A 24 2.887 11.348 27.015 1.00 0.00 C ATOM 1167 C ARG A 24 3.054 11.930 28.421 1.00 0.00 C ATOM 1168 O ARG A 24 3.993 11.616 29.124 1.00 0.00 O ATOM 1169 CB ARG A 24 1.763 10.308 27.036 1.00 0.00 C ATOM 1170 CG ARG A 24 1.482 9.777 25.622 1.00 0.00 C ATOM 1171 CD ARG A 24 0.555 10.727 24.856 1.00 0.00 C ATOM 1172 NE ARG A 24 0.477 10.315 23.426 1.00 0.00 N ATOM 1173 CZ ARG A 24 -0.545 10.679 22.700 1.00 0.00 C ATOM 1174 NH1 ARG A 24 -1.527 11.340 23.245 1.00 0.00 N ATOM 1175 NH2 ARG A 24 -0.592 10.369 21.432 1.00 0.00 N ATOM 0 H ARG A 24 4.300 9.753 27.008 1.00 0.00 H new ATOM 0 HA ARG A 24 2.646 12.146 26.313 1.00 0.00 H new ATOM 0 HB2 ARG A 24 2.039 9.482 27.691 1.00 0.00 H new ATOM 0 HB3 ARG A 24 0.858 10.753 27.448 1.00 0.00 H new ATOM 0 HG2 ARG A 24 2.420 9.662 25.079 1.00 0.00 H new ATOM 0 HG3 ARG A 24 1.026 8.789 25.684 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -0.440 10.716 25.301 1.00 0.00 H new ATOM 0 HD3 ARG A 24 0.926 11.749 24.929 1.00 0.00 H new ATOM 0 HE ARG A 24 1.220 9.750 23.015 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -1.496 11.572 24.238 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -2.326 11.625 22.679 1.00 0.00 H new ATOM 0 HH21 ARG A 24 0.171 9.842 21.007 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -1.391 10.654 20.867 1.00 0.00 H new ATOM 1189 N ARG A 25 2.140 12.771 28.835 1.00 0.00 N ATOM 1190 CA ARG A 25 2.220 13.381 30.198 1.00 0.00 C ATOM 1191 C ARG A 25 0.845 13.291 30.862 1.00 0.00 C ATOM 1192 O ARG A 25 -0.159 13.101 30.204 1.00 0.00 O ATOM 1193 CB ARG A 25 2.659 14.842 30.091 1.00 0.00 C ATOM 1194 CG ARG A 25 4.081 14.892 29.528 1.00 0.00 C ATOM 1195 CD ARG A 25 4.628 16.317 29.624 1.00 0.00 C ATOM 1196 NE ARG A 25 3.751 17.235 28.843 1.00 0.00 N ATOM 1197 CZ ARG A 25 3.883 18.527 28.969 1.00 0.00 C ATOM 1198 NH1 ARG A 25 4.814 19.015 29.743 1.00 0.00 N ATOM 1199 NH2 ARG A 25 3.090 19.330 28.314 1.00 0.00 N ATOM 0 H ARG A 25 1.334 13.064 28.282 1.00 0.00 H new ATOM 0 HA ARG A 25 2.952 12.843 30.800 1.00 0.00 H new ATOM 0 HB2 ARG A 25 1.978 15.394 29.444 1.00 0.00 H new ATOM 0 HB3 ARG A 25 2.624 15.319 31.071 1.00 0.00 H new ATOM 0 HG2 ARG A 25 4.725 14.208 30.081 1.00 0.00 H new ATOM 0 HG3 ARG A 25 4.082 14.562 28.489 1.00 0.00 H new ATOM 0 HD2 ARG A 25 4.669 16.634 30.666 1.00 0.00 H new ATOM 0 HD3 ARG A 25 5.647 16.354 29.239 1.00 0.00 H new ATOM 0 HE ARG A 25 3.048 16.853 28.210 1.00 0.00 H new ATOM 0 HH11 ARG A 25 5.438 18.386 30.249 1.00 0.00 H new ATOM 0 HH12 ARG A 25 4.918 20.025 29.842 1.00 0.00 H new ATOM 0 HH21 ARG A 25 2.367 18.948 27.704 1.00 0.00 H new ATOM 0 HH22 ARG A 25 3.193 20.340 28.412 1.00 0.00 H new ATOM 1213 N ASN A 26 0.798 13.394 32.167 1.00 0.00 N ATOM 1214 CA ASN A 26 -0.500 13.281 32.904 1.00 0.00 C ATOM 1215 C ASN A 26 -0.655 14.501 33.833 1.00 0.00 C ATOM 1216 O ASN A 26 0.327 14.989 34.353 1.00 0.00 O ATOM 1217 CB ASN A 26 -0.434 11.992 33.734 1.00 0.00 C ATOM 1218 CG ASN A 26 -1.837 11.518 34.115 1.00 0.00 C ATOM 1219 OD1 ASN A 26 -2.289 11.744 35.219 1.00 0.00 O ATOM 1220 ND2 ASN A 26 -2.548 10.856 33.242 1.00 0.00 N ATOM 0 H ASN A 26 1.612 13.553 32.760 1.00 0.00 H new ATOM 0 HA ASN A 26 -1.349 13.253 32.221 1.00 0.00 H new ATOM 0 HB2 ASN A 26 0.076 11.214 33.166 1.00 0.00 H new ATOM 0 HB3 ASN A 26 0.154 12.165 34.636 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -3.482 10.529 33.488 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -2.169 10.666 32.314 1.00 0.00 H new ATOM 1227 N PRO A 27 -1.859 14.996 34.063 1.00 0.00 N ATOM 1228 CA PRO A 27 -2.084 16.166 34.974 1.00 0.00 C ATOM 1229 C PRO A 27 -1.323 16.057 36.304 1.00 0.00 C ATOM 1230 O PRO A 27 -1.371 16.948 37.129 1.00 0.00 O ATOM 1231 CB PRO A 27 -3.596 16.141 35.219 1.00 0.00 C ATOM 1232 CG PRO A 27 -4.166 15.553 33.974 1.00 0.00 C ATOM 1233 CD PRO A 27 -3.138 14.529 33.478 1.00 0.00 C ATOM 0 HA PRO A 27 -1.720 17.091 34.528 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -3.847 15.540 36.093 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -3.986 17.143 35.399 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -5.126 15.077 34.172 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -4.341 16.324 33.224 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -3.385 13.521 33.811 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -3.093 14.503 32.389 1.00 0.00 H new ATOM 1241 N GLU A 28 -0.613 14.980 36.518 1.00 0.00 N ATOM 1242 CA GLU A 28 0.163 14.813 37.782 1.00 0.00 C ATOM 1243 C GLU A 28 1.625 15.178 37.513 1.00 0.00 C ATOM 1244 O GLU A 28 2.387 15.459 38.418 1.00 0.00 O ATOM 1245 CB GLU A 28 0.078 13.350 38.216 1.00 0.00 C ATOM 1246 CG GLU A 28 -1.367 13.016 38.592 1.00 0.00 C ATOM 1247 CD GLU A 28 -1.472 11.530 38.941 1.00 0.00 C ATOM 1248 OE1 GLU A 28 -0.525 10.810 38.669 1.00 0.00 O ATOM 1249 OE2 GLU A 28 -2.502 11.136 39.461 1.00 0.00 O ATOM 0 H GLU A 28 -0.537 14.201 35.864 1.00 0.00 H new ATOM 0 HA GLU A 28 -0.239 15.456 38.565 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.415 12.699 37.409 1.00 0.00 H new ATOM 0 HB3 GLU A 28 0.737 13.172 39.066 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.683 13.623 39.440 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -2.034 13.254 37.764 1.00 0.00 H new ATOM 1256 N GLY A 29 2.011 15.178 36.266 1.00 0.00 N ATOM 1257 CA GLY A 29 3.416 15.523 35.898 1.00 0.00 C ATOM 1258 C GLY A 29 4.274 14.256 35.835 1.00 0.00 C ATOM 1259 O GLY A 29 5.479 14.322 35.693 1.00 0.00 O ATOM 0 H GLY A 29 1.406 14.951 35.477 1.00 0.00 H new ATOM 0 HA2 GLY A 29 3.433 16.030 34.933 1.00 0.00 H new ATOM 0 HA3 GLY A 29 3.831 16.216 36.630 1.00 0.00 H new ATOM 1263 N GLN A 30 3.666 13.102 35.921 1.00 0.00 N ATOM 1264 CA GLN A 30 4.449 11.832 35.846 1.00 0.00 C ATOM 1265 C GLN A 30 4.638 11.444 34.367 1.00 0.00 C ATOM 1266 O GLN A 30 3.706 11.533 33.592 1.00 0.00 O ATOM 1267 CB GLN A 30 3.679 10.724 36.571 1.00 0.00 C ATOM 1268 CG GLN A 30 3.615 11.042 38.068 1.00 0.00 C ATOM 1269 CD GLN A 30 2.940 9.887 38.811 1.00 0.00 C ATOM 1270 OE1 GLN A 30 3.516 8.829 38.964 1.00 0.00 O ATOM 1271 NE2 GLN A 30 1.734 10.047 39.286 1.00 0.00 N ATOM 0 H GLN A 30 2.660 12.983 36.040 1.00 0.00 H new ATOM 0 HA GLN A 30 5.423 11.967 36.316 1.00 0.00 H new ATOM 0 HB2 GLN A 30 2.672 10.640 36.163 1.00 0.00 H new ATOM 0 HB3 GLN A 30 4.169 9.763 36.413 1.00 0.00 H new ATOM 0 HG2 GLN A 30 4.620 11.201 38.459 1.00 0.00 H new ATOM 0 HG3 GLN A 30 3.060 11.966 38.230 1.00 0.00 H new ATOM 0 HE21 GLN A 30 1.249 10.935 39.158 1.00 0.00 H new ATOM 0 HE22 GLN A 30 1.277 9.284 39.785 1.00 0.00 H new ATOM 1280 N PRO A 31 5.815 11.021 33.957 1.00 0.00 N ATOM 1281 CA PRO A 31 6.071 10.628 32.535 1.00 0.00 C ATOM 1282 C PRO A 31 5.459 9.264 32.175 1.00 0.00 C ATOM 1283 O PRO A 31 5.482 8.340 32.959 1.00 0.00 O ATOM 1284 CB PRO A 31 7.601 10.578 32.450 1.00 0.00 C ATOM 1285 CG PRO A 31 8.042 10.219 33.832 1.00 0.00 C ATOM 1286 CD PRO A 31 7.030 10.868 34.782 1.00 0.00 C ATOM 0 HA PRO A 31 5.615 11.326 31.833 1.00 0.00 H new ATOM 0 HB2 PRO A 31 7.934 9.838 31.722 1.00 0.00 H new ATOM 0 HB3 PRO A 31 8.013 11.538 32.139 1.00 0.00 H new ATOM 0 HG2 PRO A 31 8.064 9.137 33.966 1.00 0.00 H new ATOM 0 HG3 PRO A 31 9.050 10.585 34.027 1.00 0.00 H new ATOM 0 HD2 PRO A 31 6.844 10.243 35.655 1.00 0.00 H new ATOM 0 HD3 PRO A 31 7.387 11.830 35.149 1.00 0.00 H new ATOM 1294 N LEU A 32 4.919 9.141 30.987 1.00 0.00 N ATOM 1295 CA LEU A 32 4.305 7.841 30.554 1.00 0.00 C ATOM 1296 C LEU A 32 4.595 7.589 29.070 1.00 0.00 C ATOM 1297 O LEU A 32 4.711 8.510 28.287 1.00 0.00 O ATOM 1298 CB LEU A 32 2.785 7.887 30.757 1.00 0.00 C ATOM 1299 CG LEU A 32 2.431 8.022 32.245 1.00 0.00 C ATOM 1300 CD1 LEU A 32 0.928 8.279 32.373 1.00 0.00 C ATOM 1301 CD2 LEU A 32 2.785 6.736 33.004 1.00 0.00 C ATOM 0 H LEU A 32 4.876 9.888 30.293 1.00 0.00 H new ATOM 0 HA LEU A 32 4.735 7.039 31.154 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.366 8.727 30.202 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.333 6.981 30.353 1.00 0.00 H new ATOM 0 HG LEU A 32 2.999 8.849 32.671 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.664 8.377 33.426 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.670 9.198 31.847 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.378 7.445 31.937 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.527 6.852 34.057 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.227 5.900 32.583 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.854 6.542 32.912 1.00 0.00 H new ATOM 1313 N CYS A 33 4.690 6.343 28.671 1.00 0.00 N ATOM 1314 CA CYS A 33 4.951 6.033 27.236 1.00 0.00 C ATOM 1315 C CYS A 33 3.672 6.270 26.426 1.00 0.00 C ATOM 1316 O CYS A 33 2.680 6.744 26.945 1.00 0.00 O ATOM 1317 CB CYS A 33 5.432 4.583 27.084 1.00 0.00 C ATOM 1318 SG CYS A 33 4.066 3.420 27.328 1.00 0.00 S ATOM 0 H CYS A 33 4.598 5.530 29.280 1.00 0.00 H new ATOM 0 HA CYS A 33 5.736 6.689 26.859 1.00 0.00 H new ATOM 0 HB2 CYS A 33 5.863 4.441 26.093 1.00 0.00 H new ATOM 0 HB3 CYS A 33 6.222 4.380 27.808 1.00 0.00 H new ATOM 0 HG CYS A 33 4.449 2.459 28.116 1.00 0.00 H new ATOM 1323 N ASN A 34 3.688 5.974 25.153 1.00 0.00 N ATOM 1324 CA ASN A 34 2.474 6.220 24.322 1.00 0.00 C ATOM 1325 C ASN A 34 1.357 5.216 24.641 1.00 0.00 C ATOM 1326 O ASN A 34 0.199 5.576 24.712 1.00 0.00 O ATOM 1327 CB ASN A 34 2.844 6.133 22.837 1.00 0.00 C ATOM 1328 CG ASN A 34 3.215 4.695 22.466 1.00 0.00 C ATOM 1329 OD1 ASN A 34 3.572 3.906 23.317 1.00 0.00 O ATOM 1330 ND2 ASN A 34 3.148 4.323 21.217 1.00 0.00 N ATOM 0 H ASN A 34 4.484 5.575 24.656 1.00 0.00 H new ATOM 0 HA ASN A 34 2.101 7.217 24.554 1.00 0.00 H new ATOM 0 HB2 ASN A 34 2.006 6.469 22.226 1.00 0.00 H new ATOM 0 HB3 ASN A 34 3.681 6.798 22.624 1.00 0.00 H new ATOM 0 HD21 ASN A 34 3.396 3.369 20.955 1.00 0.00 H new ATOM 0 HD22 ASN A 34 2.848 4.986 20.503 1.00 0.00 H new ATOM 1337 N ALA A 35 1.677 3.961 24.800 1.00 0.00 N ATOM 1338 CA ALA A 35 0.612 2.951 25.076 1.00 0.00 C ATOM 1339 C ALA A 35 -0.075 3.188 26.433 1.00 0.00 C ATOM 1340 O ALA A 35 -1.286 3.218 26.516 1.00 0.00 O ATOM 1341 CB ALA A 35 1.231 1.552 25.032 1.00 0.00 C ATOM 0 H ALA A 35 2.626 3.591 24.751 1.00 0.00 H new ATOM 0 HA ALA A 35 -0.158 3.047 24.310 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.461 0.807 25.232 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.660 1.375 24.046 1.00 0.00 H new ATOM 0 HB3 ALA A 35 2.014 1.477 25.787 1.00 0.00 H new ATOM 1347 N CYS A 36 0.669 3.331 27.502 1.00 0.00 N ATOM 1348 CA CYS A 36 0.018 3.532 28.838 1.00 0.00 C ATOM 1349 C CYS A 36 -0.857 4.786 28.827 1.00 0.00 C ATOM 1350 O CYS A 36 -1.971 4.782 29.309 1.00 0.00 O ATOM 1351 CB CYS A 36 1.074 3.718 29.931 1.00 0.00 C ATOM 1352 SG CYS A 36 2.010 2.192 30.172 1.00 0.00 S ATOM 0 H CYS A 36 1.689 3.318 27.511 1.00 0.00 H new ATOM 0 HA CYS A 36 -0.586 2.647 29.040 1.00 0.00 H new ATOM 0 HB2 CYS A 36 1.751 4.527 29.657 1.00 0.00 H new ATOM 0 HB3 CYS A 36 0.592 4.008 30.865 1.00 0.00 H new ATOM 0 HG CYS A 36 3.242 2.481 30.471 1.00 0.00 H new ATOM 1357 N GLY A 37 -0.359 5.862 28.292 1.00 0.00 N ATOM 1358 CA GLY A 37 -1.160 7.115 28.271 1.00 0.00 C ATOM 1359 C GLY A 37 -2.435 6.906 27.453 1.00 0.00 C ATOM 1360 O GLY A 37 -3.508 7.323 27.839 1.00 0.00 O ATOM 0 H GLY A 37 0.567 5.929 27.869 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.415 7.411 29.289 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.571 7.926 27.842 1.00 0.00 H new ATOM 1364 N LEU A 38 -2.321 6.280 26.315 1.00 0.00 N ATOM 1365 CA LEU A 38 -3.520 6.061 25.458 1.00 0.00 C ATOM 1366 C LEU A 38 -4.511 5.095 26.119 1.00 0.00 C ATOM 1367 O LEU A 38 -5.681 5.393 26.246 1.00 0.00 O ATOM 1368 CB LEU A 38 -3.063 5.485 24.115 1.00 0.00 C ATOM 1369 CG LEU A 38 -2.310 6.556 23.310 1.00 0.00 C ATOM 1370 CD1 LEU A 38 -1.650 5.896 22.097 1.00 0.00 C ATOM 1371 CD2 LEU A 38 -3.279 7.654 22.834 1.00 0.00 C ATOM 0 H LEU A 38 -1.447 5.910 25.940 1.00 0.00 H new ATOM 0 HA LEU A 38 -4.028 7.015 25.315 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.417 4.623 24.281 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.925 5.133 23.549 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.552 7.013 23.946 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.113 6.649 21.520 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.951 5.131 22.435 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.415 5.437 21.471 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.728 8.404 22.266 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -4.048 7.211 22.201 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.748 8.125 23.698 1.00 0.00 H new ATOM 1383 N PHE A 39 -4.067 3.936 26.529 1.00 0.00 N ATOM 1384 CA PHE A 39 -5.015 2.971 27.164 1.00 0.00 C ATOM 1385 C PHE A 39 -5.430 3.446 28.558 1.00 0.00 C ATOM 1386 O PHE A 39 -6.584 3.365 28.929 1.00 0.00 O ATOM 1387 CB PHE A 39 -4.370 1.587 27.287 1.00 0.00 C ATOM 1388 CG PHE A 39 -5.332 0.663 27.999 1.00 0.00 C ATOM 1389 CD1 PHE A 39 -5.360 0.637 29.399 1.00 0.00 C ATOM 1390 CD2 PHE A 39 -6.211 -0.147 27.268 1.00 0.00 C ATOM 1391 CE1 PHE A 39 -6.262 -0.199 30.069 1.00 0.00 C ATOM 1392 CE2 PHE A 39 -7.114 -0.982 27.939 1.00 0.00 C ATOM 1393 CZ PHE A 39 -7.139 -1.008 29.338 1.00 0.00 C ATOM 0 H PHE A 39 -3.101 3.617 26.454 1.00 0.00 H new ATOM 0 HA PHE A 39 -5.897 2.912 26.527 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -4.130 1.193 26.299 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -3.433 1.655 27.840 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -4.685 1.263 29.963 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -6.192 -0.128 26.188 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -6.281 -0.219 31.149 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -7.792 -1.606 27.376 1.00 0.00 H new ATOM 0 HZ PHE A 39 -7.835 -1.653 29.854 1.00 0.00 H new ATOM 1403 N LEU A 40 -4.500 3.904 29.349 1.00 0.00 N ATOM 1404 CA LEU A 40 -4.862 4.331 30.730 1.00 0.00 C ATOM 1405 C LEU A 40 -5.892 5.463 30.663 1.00 0.00 C ATOM 1406 O LEU A 40 -6.909 5.421 31.325 1.00 0.00 O ATOM 1407 CB LEU A 40 -3.601 4.792 31.470 1.00 0.00 C ATOM 1408 CG LEU A 40 -3.897 4.989 32.963 1.00 0.00 C ATOM 1409 CD1 LEU A 40 -4.098 3.630 33.658 1.00 0.00 C ATOM 1410 CD2 LEU A 40 -2.717 5.721 33.612 1.00 0.00 C ATOM 0 H LEU A 40 -3.515 4.001 29.103 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.299 3.493 31.273 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.808 4.055 31.344 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -3.239 5.725 31.038 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.810 5.574 33.070 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.307 3.790 34.716 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.936 3.106 33.198 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.194 3.030 33.553 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.918 5.866 34.673 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.810 5.128 33.492 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.582 6.691 33.133 1.00 0.00 H new ATOM 1422 N LYS A 41 -5.648 6.473 29.872 1.00 0.00 N ATOM 1423 CA LYS A 41 -6.631 7.591 29.778 1.00 0.00 C ATOM 1424 C LYS A 41 -7.981 7.084 29.251 1.00 0.00 C ATOM 1425 O LYS A 41 -9.025 7.442 29.756 1.00 0.00 O ATOM 1426 CB LYS A 41 -6.092 8.674 28.837 1.00 0.00 C ATOM 1427 CG LYS A 41 -7.114 9.810 28.738 1.00 0.00 C ATOM 1428 CD LYS A 41 -6.471 11.041 28.090 1.00 0.00 C ATOM 1429 CE LYS A 41 -5.922 10.690 26.701 1.00 0.00 C ATOM 1430 NZ LYS A 41 -4.530 10.177 26.841 1.00 0.00 N ATOM 0 H LYS A 41 -4.816 6.573 29.290 1.00 0.00 H new ATOM 0 HA LYS A 41 -6.777 8.007 30.775 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -5.141 9.056 29.209 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -5.902 8.253 27.850 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -7.973 9.487 28.150 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.485 10.064 29.731 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -7.206 11.841 28.006 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -5.665 11.414 28.723 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -6.553 9.939 26.226 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -5.935 11.570 26.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -3.903 10.691 26.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -4.204 10.319 27.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -4.509 9.162 26.613 1.00 0.00 H new ATOM 1444 N LEU A 42 -7.969 6.279 28.223 1.00 0.00 N ATOM 1445 CA LEU A 42 -9.255 5.777 27.643 1.00 0.00 C ATOM 1446 C LEU A 42 -9.959 4.785 28.576 1.00 0.00 C ATOM 1447 O LEU A 42 -11.168 4.794 28.690 1.00 0.00 O ATOM 1448 CB LEU A 42 -8.966 5.055 26.324 1.00 0.00 C ATOM 1449 CG LEU A 42 -8.536 6.049 25.237 1.00 0.00 C ATOM 1450 CD1 LEU A 42 -8.008 5.262 24.032 1.00 0.00 C ATOM 1451 CD2 LEU A 42 -9.730 6.918 24.801 1.00 0.00 C ATOM 0 H LEU A 42 -7.125 5.945 27.757 1.00 0.00 H new ATOM 0 HA LEU A 42 -9.903 6.640 27.495 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -8.181 4.314 26.475 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -9.855 4.516 25.998 1.00 0.00 H new ATOM 0 HG LEU A 42 -7.758 6.702 25.632 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -7.699 5.957 23.251 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -7.155 4.657 24.338 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -8.795 4.612 23.649 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -9.408 7.618 24.030 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -10.520 6.279 24.405 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -10.109 7.473 25.659 1.00 0.00 H new ATOM 1463 N HIS A 43 -9.237 3.900 29.210 1.00 0.00 N ATOM 1464 CA HIS A 43 -9.905 2.888 30.083 1.00 0.00 C ATOM 1465 C HIS A 43 -10.051 3.395 31.521 1.00 0.00 C ATOM 1466 O HIS A 43 -11.039 3.122 32.173 1.00 0.00 O ATOM 1467 CB HIS A 43 -9.088 1.593 30.058 1.00 0.00 C ATOM 1468 CG HIS A 43 -9.273 0.922 28.722 1.00 0.00 C ATOM 1469 ND1 HIS A 43 -8.683 1.402 27.563 1.00 0.00 N ATOM 1470 CD2 HIS A 43 -9.996 -0.184 28.343 1.00 0.00 C ATOM 1471 CE1 HIS A 43 -9.059 0.597 26.552 1.00 0.00 C ATOM 1472 NE2 HIS A 43 -9.860 -0.386 26.972 1.00 0.00 N ATOM 0 H HIS A 43 -8.220 3.833 29.163 1.00 0.00 H new ATOM 0 HA HIS A 43 -10.909 2.704 29.700 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -8.033 1.810 30.227 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -9.410 0.929 30.860 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -8.074 2.217 27.490 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -10.581 -0.802 29.008 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -8.750 0.730 25.526 1.00 0.00 H new ATOM 1480 N GLY A 44 -9.107 4.136 32.029 1.00 0.00 N ATOM 1481 CA GLY A 44 -9.247 4.650 33.422 1.00 0.00 C ATOM 1482 C GLY A 44 -9.088 3.526 34.452 1.00 0.00 C ATOM 1483 O GLY A 44 -9.327 3.732 35.625 1.00 0.00 O ATOM 0 H GLY A 44 -8.251 4.407 31.546 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -8.498 5.421 33.604 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -10.223 5.120 33.542 1.00 0.00 H new ATOM 1487 N VAL A 45 -8.697 2.344 34.045 1.00 0.00 N ATOM 1488 CA VAL A 45 -8.537 1.230 35.035 1.00 0.00 C ATOM 1489 C VAL A 45 -7.302 0.389 34.703 1.00 0.00 C ATOM 1490 O VAL A 45 -6.952 0.192 33.557 1.00 0.00 O ATOM 1491 CB VAL A 45 -9.786 0.341 35.022 1.00 0.00 C ATOM 1492 CG1 VAL A 45 -10.977 1.139 35.558 1.00 0.00 C ATOM 1493 CG2 VAL A 45 -10.088 -0.129 33.596 1.00 0.00 C ATOM 0 H VAL A 45 -8.483 2.101 33.078 1.00 0.00 H new ATOM 0 HA VAL A 45 -8.409 1.662 36.027 1.00 0.00 H new ATOM 0 HB VAL A 45 -9.609 -0.532 35.651 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -11.868 0.511 35.551 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -10.769 1.462 36.578 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -11.143 2.012 34.927 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -10.977 -0.759 33.601 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -10.261 0.737 32.956 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -9.241 -0.699 33.214 1.00 0.00 H new ATOM 1503 N VAL A 46 -6.635 -0.097 35.715 1.00 0.00 N ATOM 1504 CA VAL A 46 -5.412 -0.919 35.492 1.00 0.00 C ATOM 1505 C VAL A 46 -5.731 -2.122 34.600 1.00 0.00 C ATOM 1506 O VAL A 46 -6.834 -2.632 34.585 1.00 0.00 O ATOM 1507 CB VAL A 46 -4.878 -1.416 36.838 1.00 0.00 C ATOM 1508 CG1 VAL A 46 -4.384 -0.226 37.663 1.00 0.00 C ATOM 1509 CG2 VAL A 46 -5.994 -2.134 37.599 1.00 0.00 C ATOM 0 H VAL A 46 -6.887 0.042 36.694 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.661 -0.302 34.999 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.053 -2.107 36.666 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.004 -0.580 38.621 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.587 0.285 37.123 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.209 0.466 37.833 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -5.612 -2.487 38.557 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -6.820 -1.444 37.770 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -6.346 -2.983 37.013 1.00 0.00 H new ATOM 1519 N ARG A 47 -4.754 -2.575 33.862 1.00 0.00 N ATOM 1520 CA ARG A 47 -4.945 -3.750 32.961 1.00 0.00 C ATOM 1521 C ARG A 47 -3.615 -4.513 32.902 1.00 0.00 C ATOM 1522 O ARG A 47 -2.575 -3.893 32.802 1.00 0.00 O ATOM 1523 CB ARG A 47 -5.310 -3.247 31.557 1.00 0.00 C ATOM 1524 CG ARG A 47 -5.674 -4.430 30.651 1.00 0.00 C ATOM 1525 CD ARG A 47 -5.918 -3.954 29.204 1.00 0.00 C ATOM 1526 NE ARG A 47 -7.388 -3.837 28.935 1.00 0.00 N ATOM 1527 CZ ARG A 47 -8.197 -4.854 29.076 1.00 0.00 C ATOM 1528 NH1 ARG A 47 -7.722 -6.045 29.325 1.00 0.00 N ATOM 1529 NH2 ARG A 47 -9.483 -4.687 28.922 1.00 0.00 N ATOM 0 H ARG A 47 -3.816 -2.174 33.845 1.00 0.00 H new ATOM 0 HA ARG A 47 -5.740 -4.399 33.328 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -6.149 -2.554 31.617 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -4.472 -2.697 31.130 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -4.871 -5.167 30.666 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -6.567 -4.925 31.032 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -5.435 -2.990 29.045 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -5.468 -4.656 28.502 1.00 0.00 H new ATOM 0 HE ARG A 47 -7.767 -2.939 28.634 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -6.715 -6.185 29.410 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -8.358 -6.835 29.434 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -9.854 -3.765 28.692 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -10.117 -5.479 29.031 1.00 0.00 H new ATOM 1543 N PRO A 48 -3.616 -5.829 32.972 1.00 0.00 N ATOM 1544 CA PRO A 48 -2.362 -6.629 32.927 1.00 0.00 C ATOM 1545 C PRO A 48 -1.260 -5.980 32.084 1.00 0.00 C ATOM 1546 O PRO A 48 -1.271 -6.039 30.871 1.00 0.00 O ATOM 1547 CB PRO A 48 -2.826 -7.941 32.303 1.00 0.00 C ATOM 1548 CG PRO A 48 -4.222 -8.129 32.815 1.00 0.00 C ATOM 1549 CD PRO A 48 -4.787 -6.723 33.104 1.00 0.00 C ATOM 0 HA PRO A 48 -1.909 -6.736 33.912 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -2.806 -7.891 31.214 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -2.181 -8.769 32.596 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -4.836 -8.648 32.079 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -4.223 -8.739 33.719 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -5.573 -6.457 32.398 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -5.222 -6.666 34.102 1.00 0.00 H new ATOM 1557 N LEU A 49 -0.304 -5.370 32.726 1.00 0.00 N ATOM 1558 CA LEU A 49 0.810 -4.731 31.974 1.00 0.00 C ATOM 1559 C LEU A 49 1.555 -5.815 31.186 1.00 0.00 C ATOM 1560 O LEU A 49 2.296 -5.533 30.267 1.00 0.00 O ATOM 1561 CB LEU A 49 1.761 -4.033 32.950 1.00 0.00 C ATOM 1562 CG LEU A 49 1.007 -2.950 33.737 1.00 0.00 C ATOM 1563 CD1 LEU A 49 1.965 -2.311 34.746 1.00 0.00 C ATOM 1564 CD2 LEU A 49 0.470 -1.867 32.785 1.00 0.00 C ATOM 0 H LEU A 49 -0.246 -5.286 33.741 1.00 0.00 H new ATOM 0 HA LEU A 49 0.417 -3.984 31.284 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.189 -4.762 33.638 1.00 0.00 H new ATOM 0 HB3 LEU A 49 2.591 -3.585 32.404 1.00 0.00 H new ATOM 0 HG LEU A 49 0.164 -3.407 34.255 1.00 0.00 H new ATOM 0 HD11 LEU A 49 1.439 -1.541 35.310 1.00 0.00 H new ATOM 0 HD12 LEU A 49 2.334 -3.074 35.431 1.00 0.00 H new ATOM 0 HD13 LEU A 49 2.805 -1.863 34.216 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -0.061 -1.108 33.360 1.00 0.00 H new ATOM 0 HD22 LEU A 49 1.302 -1.404 32.254 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.212 -2.321 32.066 1.00 0.00 H new ATOM 1576 N SER A 50 1.361 -7.056 31.550 1.00 0.00 N ATOM 1577 CA SER A 50 2.055 -8.168 30.836 1.00 0.00 C ATOM 1578 C SER A 50 1.716 -8.108 29.346 1.00 0.00 C ATOM 1579 O SER A 50 2.298 -8.809 28.542 1.00 0.00 O ATOM 1580 CB SER A 50 1.594 -9.513 31.400 1.00 0.00 C ATOM 1581 OG SER A 50 2.467 -10.537 30.941 1.00 0.00 O ATOM 0 H SER A 50 0.750 -7.348 32.313 1.00 0.00 H new ATOM 0 HA SER A 50 3.131 -8.064 30.975 1.00 0.00 H new ATOM 0 HB2 SER A 50 1.591 -9.482 32.490 1.00 0.00 H new ATOM 0 HB3 SER A 50 0.572 -9.722 31.085 1.00 0.00 H new ATOM 0 HG SER A 50 2.776 -10.322 30.036 1.00 0.00 H new ATOM 1587 N LEU A 51 0.799 -7.264 28.965 1.00 0.00 N ATOM 1588 CA LEU A 51 0.457 -7.155 27.518 1.00 0.00 C ATOM 1589 C LEU A 51 1.598 -6.424 26.828 1.00 0.00 C ATOM 1590 O LEU A 51 2.011 -6.764 25.736 1.00 0.00 O ATOM 1591 CB LEU A 51 -0.808 -6.317 27.348 1.00 0.00 C ATOM 1592 CG LEU A 51 -2.009 -7.011 27.993 1.00 0.00 C ATOM 1593 CD1 LEU A 51 -3.156 -6.007 28.075 1.00 0.00 C ATOM 1594 CD2 LEU A 51 -2.451 -8.215 27.152 1.00 0.00 C ATOM 0 H LEU A 51 0.274 -6.649 29.587 1.00 0.00 H new ATOM 0 HA LEU A 51 0.300 -8.148 27.097 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.663 -5.336 27.800 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.002 -6.154 26.288 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.733 -7.365 28.986 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -4.024 -6.482 28.533 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.849 -5.153 28.679 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.415 -5.668 27.072 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.306 -8.696 27.627 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.732 -7.878 26.154 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.630 -8.928 27.077 1.00 0.00 H new ATOM 1606 N LYS A 52 2.114 -5.422 27.477 1.00 0.00 N ATOM 1607 CA LYS A 52 3.239 -4.644 26.897 1.00 0.00 C ATOM 1608 C LYS A 52 4.325 -5.605 26.413 1.00 0.00 C ATOM 1609 O LYS A 52 4.374 -6.755 26.799 1.00 0.00 O ATOM 1610 CB LYS A 52 3.804 -3.718 27.983 1.00 0.00 C ATOM 1611 CG LYS A 52 4.967 -2.862 27.434 1.00 0.00 C ATOM 1612 CD LYS A 52 6.326 -3.500 27.777 1.00 0.00 C ATOM 1613 CE LYS A 52 6.758 -3.099 29.190 1.00 0.00 C ATOM 1614 NZ LYS A 52 7.951 -3.898 29.586 1.00 0.00 N ATOM 0 H LYS A 52 1.801 -5.105 28.395 1.00 0.00 H new ATOM 0 HA LYS A 52 2.891 -4.050 26.052 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.014 -3.067 28.357 1.00 0.00 H new ATOM 0 HB3 LYS A 52 4.153 -4.313 28.827 1.00 0.00 H new ATOM 0 HG2 LYS A 52 4.871 -2.760 26.353 1.00 0.00 H new ATOM 0 HG3 LYS A 52 4.915 -1.858 27.855 1.00 0.00 H new ATOM 0 HD2 LYS A 52 6.255 -4.585 27.705 1.00 0.00 H new ATOM 0 HD3 LYS A 52 7.078 -3.181 27.055 1.00 0.00 H new ATOM 0 HE2 LYS A 52 6.992 -2.035 29.223 1.00 0.00 H new ATOM 0 HE3 LYS A 52 5.943 -3.268 29.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 8.247 -3.628 30.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 7.712 -4.910 29.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 8.728 -3.715 28.920 1.00 0.00 H new ATOM 1628 N THR A 53 5.211 -5.123 25.590 1.00 0.00 N ATOM 1629 CA THR A 53 6.329 -5.968 25.085 1.00 0.00 C ATOM 1630 C THR A 53 7.523 -5.058 24.805 1.00 0.00 C ATOM 1631 O THR A 53 7.407 -3.849 24.840 1.00 0.00 O ATOM 1632 CB THR A 53 5.907 -6.673 23.797 1.00 0.00 C ATOM 1633 OG1 THR A 53 7.063 -7.107 23.097 1.00 0.00 O ATOM 1634 CG2 THR A 53 5.107 -5.703 22.926 1.00 0.00 C ATOM 0 H THR A 53 5.209 -4.165 25.240 1.00 0.00 H new ATOM 0 HA THR A 53 6.593 -6.724 25.825 1.00 0.00 H new ATOM 0 HB THR A 53 5.287 -7.536 24.037 1.00 0.00 H new ATOM 0 HG1 THR A 53 6.794 -7.561 22.271 1.00 0.00 H new ATOM 0 HG21 THR A 53 4.805 -6.204 22.006 1.00 0.00 H new ATOM 0 HG22 THR A 53 4.220 -5.374 23.468 1.00 0.00 H new ATOM 0 HG23 THR A 53 5.725 -4.839 22.682 1.00 0.00 H new ATOM 1642 N ASP A 54 8.667 -5.614 24.520 1.00 0.00 N ATOM 1643 CA ASP A 54 9.856 -4.757 24.231 1.00 0.00 C ATOM 1644 C ASP A 54 9.934 -4.525 22.722 1.00 0.00 C ATOM 1645 O ASP A 54 10.844 -3.892 22.225 1.00 0.00 O ATOM 1646 CB ASP A 54 11.130 -5.465 24.699 1.00 0.00 C ATOM 1647 CG ASP A 54 11.168 -5.505 26.228 1.00 0.00 C ATOM 1648 OD1 ASP A 54 10.450 -4.731 26.839 1.00 0.00 O ATOM 1649 OD2 ASP A 54 11.920 -6.304 26.762 1.00 0.00 O ATOM 0 H ASP A 54 8.832 -6.619 24.474 1.00 0.00 H new ATOM 0 HA ASP A 54 9.762 -3.806 24.756 1.00 0.00 H new ATOM 0 HB2 ASP A 54 11.162 -6.478 24.299 1.00 0.00 H new ATOM 0 HB3 ASP A 54 12.008 -4.944 24.318 1.00 0.00 H new ATOM 1654 N VAL A 55 8.965 -5.026 21.998 1.00 0.00 N ATOM 1655 CA VAL A 55 8.932 -4.844 20.514 1.00 0.00 C ATOM 1656 C VAL A 55 7.658 -4.090 20.134 1.00 0.00 C ATOM 1657 O VAL A 55 6.595 -4.338 20.668 1.00 0.00 O ATOM 1658 CB VAL A 55 8.939 -6.210 19.821 1.00 0.00 C ATOM 1659 CG1 VAL A 55 8.714 -6.021 18.317 1.00 0.00 C ATOM 1660 CG2 VAL A 55 10.290 -6.890 20.051 1.00 0.00 C ATOM 0 H VAL A 55 8.184 -5.561 22.378 1.00 0.00 H new ATOM 0 HA VAL A 55 9.809 -4.279 20.198 1.00 0.00 H new ATOM 0 HB VAL A 55 8.143 -6.831 20.233 1.00 0.00 H new ATOM 0 HG11 VAL A 55 8.719 -6.993 17.823 1.00 0.00 H new ATOM 0 HG12 VAL A 55 7.753 -5.535 18.151 1.00 0.00 H new ATOM 0 HG13 VAL A 55 9.510 -5.401 17.905 1.00 0.00 H new ATOM 0 HG21 VAL A 55 10.296 -7.862 19.558 1.00 0.00 H new ATOM 0 HG22 VAL A 55 11.085 -6.269 19.638 1.00 0.00 H new ATOM 0 HG23 VAL A 55 10.452 -7.024 21.120 1.00 0.00 H new ATOM 1670 N ILE A 56 7.763 -3.173 19.209 1.00 0.00 N ATOM 1671 CA ILE A 56 6.573 -2.385 18.766 1.00 0.00 C ATOM 1672 C ILE A 56 6.222 -2.790 17.332 1.00 0.00 C ATOM 1673 O ILE A 56 7.083 -2.866 16.478 1.00 0.00 O ATOM 1674 CB ILE A 56 6.915 -0.895 18.798 1.00 0.00 C ATOM 1675 CG1 ILE A 56 7.319 -0.498 20.221 1.00 0.00 C ATOM 1676 CG2 ILE A 56 5.684 -0.086 18.375 1.00 0.00 C ATOM 1677 CD1 ILE A 56 7.993 0.873 20.191 1.00 0.00 C ATOM 0 H ILE A 56 8.634 -2.933 18.735 1.00 0.00 H new ATOM 0 HA ILE A 56 5.729 -2.580 19.427 1.00 0.00 H new ATOM 0 HB ILE A 56 7.740 -0.692 18.115 1.00 0.00 H new ATOM 0 HG12 ILE A 56 6.441 -0.470 20.866 1.00 0.00 H new ATOM 0 HG13 ILE A 56 7.998 -1.241 20.639 1.00 0.00 H new ATOM 0 HG21 ILE A 56 5.923 0.977 18.396 1.00 0.00 H new ATOM 0 HG22 ILE A 56 5.390 -0.372 17.365 1.00 0.00 H new ATOM 0 HG23 ILE A 56 4.863 -0.287 19.063 1.00 0.00 H new ATOM 0 HD11 ILE A 56 8.282 1.159 21.202 1.00 0.00 H new ATOM 0 HD12 ILE A 56 8.880 0.829 19.559 1.00 0.00 H new ATOM 0 HD13 ILE A 56 7.298 1.611 19.790 1.00 0.00 H new ATOM 1689 N LYS A 57 4.975 -3.059 17.054 1.00 0.00 N ATOM 1690 CA LYS A 57 4.605 -3.465 15.668 1.00 0.00 C ATOM 1691 C LYS A 57 4.499 -2.211 14.795 1.00 0.00 C ATOM 1692 O LYS A 57 3.839 -1.252 15.140 1.00 0.00 O ATOM 1693 CB LYS A 57 3.262 -4.200 15.699 1.00 0.00 C ATOM 1694 CG LYS A 57 3.044 -4.926 14.367 1.00 0.00 C ATOM 1695 CD LYS A 57 1.693 -5.661 14.375 1.00 0.00 C ATOM 1696 CE LYS A 57 1.807 -7.017 15.094 1.00 0.00 C ATOM 1697 NZ LYS A 57 2.103 -8.084 14.095 1.00 0.00 N ATOM 0 H LYS A 57 4.203 -3.016 17.719 1.00 0.00 H new ATOM 0 HA LYS A 57 5.364 -4.129 15.255 1.00 0.00 H new ATOM 0 HB2 LYS A 57 3.246 -4.915 16.522 1.00 0.00 H new ATOM 0 HB3 LYS A 57 2.452 -3.492 15.876 1.00 0.00 H new ATOM 0 HG2 LYS A 57 3.071 -4.210 13.546 1.00 0.00 H new ATOM 0 HG3 LYS A 57 3.852 -5.638 14.196 1.00 0.00 H new ATOM 0 HD2 LYS A 57 0.943 -5.045 14.870 1.00 0.00 H new ATOM 0 HD3 LYS A 57 1.353 -5.816 13.351 1.00 0.00 H new ATOM 0 HE2 LYS A 57 2.596 -6.978 15.845 1.00 0.00 H new ATOM 0 HE3 LYS A 57 0.878 -7.242 15.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 2.180 -9.001 14.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 1.336 -8.126 13.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 3.000 -7.870 13.614 1.00 0.00 H new ATOM 1711 N LYS A 58 5.163 -2.213 13.669 1.00 0.00 N ATOM 1712 CA LYS A 58 5.130 -1.024 12.768 1.00 0.00 C ATOM 1713 C LYS A 58 3.927 -1.094 11.823 1.00 0.00 C ATOM 1714 O LYS A 58 3.750 -2.056 11.103 1.00 0.00 O ATOM 1715 CB LYS A 58 6.412 -1.002 11.929 1.00 0.00 C ATOM 1716 CG LYS A 58 7.631 -0.844 12.842 1.00 0.00 C ATOM 1717 CD LYS A 58 8.901 -0.825 11.988 1.00 0.00 C ATOM 1718 CE LYS A 58 10.128 -0.612 12.881 1.00 0.00 C ATOM 1719 NZ LYS A 58 10.470 -1.881 13.583 1.00 0.00 N ATOM 0 H LYS A 58 5.730 -2.992 13.333 1.00 0.00 H new ATOM 0 HA LYS A 58 5.050 -0.124 13.378 1.00 0.00 H new ATOM 0 HB2 LYS A 58 6.496 -1.924 11.353 1.00 0.00 H new ATOM 0 HB3 LYS A 58 6.374 -0.181 11.213 1.00 0.00 H new ATOM 0 HG2 LYS A 58 7.552 0.078 13.418 1.00 0.00 H new ATOM 0 HG3 LYS A 58 7.672 -1.664 13.558 1.00 0.00 H new ATOM 0 HD2 LYS A 58 8.996 -1.764 11.442 1.00 0.00 H new ATOM 0 HD3 LYS A 58 8.838 -0.029 11.246 1.00 0.00 H new ATOM 0 HE2 LYS A 58 10.974 -0.280 12.279 1.00 0.00 H new ATOM 0 HE3 LYS A 58 9.927 0.174 13.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 11.333 -1.744 14.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 9.686 -2.153 14.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 10.631 -2.633 12.883 1.00 0.00 H new ATOM 1733 N ARG A 59 3.101 -0.079 11.810 1.00 0.00 N ATOM 1734 CA ARG A 59 1.912 -0.079 10.906 1.00 0.00 C ATOM 1735 C ARG A 59 2.257 0.709 9.639 1.00 0.00 C ATOM 1736 O ARG A 59 3.344 1.234 9.501 1.00 0.00 O ATOM 1737 CB ARG A 59 0.726 0.586 11.611 1.00 0.00 C ATOM 1738 CG ARG A 59 0.271 -0.265 12.807 1.00 0.00 C ATOM 1739 CD ARG A 59 -0.545 -1.480 12.341 1.00 0.00 C ATOM 1740 NE ARG A 59 0.382 -2.580 11.951 1.00 0.00 N ATOM 1741 CZ ARG A 59 -0.074 -3.786 11.759 1.00 0.00 C ATOM 1742 NH1 ARG A 59 -1.327 -4.058 12.003 1.00 0.00 N ATOM 1743 NH2 ARG A 59 0.727 -4.725 11.336 1.00 0.00 N ATOM 0 H ARG A 59 3.200 0.754 12.390 1.00 0.00 H new ATOM 0 HA ARG A 59 1.645 -1.104 10.649 1.00 0.00 H new ATOM 0 HB2 ARG A 59 1.009 1.582 11.951 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -0.099 0.711 10.910 1.00 0.00 H new ATOM 0 HG2 ARG A 59 1.141 -0.602 13.370 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -0.330 0.343 13.483 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -1.208 -1.814 13.139 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -1.177 -1.205 11.496 1.00 0.00 H new ATOM 0 HE ARG A 59 1.377 -2.388 11.834 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -1.951 -3.327 12.344 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -1.683 -5.002 11.852 1.00 0.00 H new ATOM 0 HH21 ARG A 59 1.709 -4.515 11.156 1.00 0.00 H new ATOM 0 HH22 ARG A 59 0.371 -5.669 11.185 1.00 0.00 H new ATOM 1757 N ASN A 60 1.355 0.766 8.699 1.00 0.00 N ATOM 1758 CA ASN A 60 1.647 1.485 7.426 1.00 0.00 C ATOM 1759 C ASN A 60 1.561 2.998 7.633 1.00 0.00 C ATOM 1760 O ASN A 60 1.436 3.484 8.740 1.00 0.00 O ATOM 1761 CB ASN A 60 0.630 1.064 6.362 1.00 0.00 C ATOM 1762 CG ASN A 60 -0.778 1.427 6.834 1.00 0.00 C ATOM 1763 OD1 ASN A 60 -1.723 1.361 6.073 1.00 0.00 O ATOM 1764 ND2 ASN A 60 -0.959 1.812 8.068 1.00 0.00 N ATOM 0 H ASN A 60 0.427 0.346 8.757 1.00 0.00 H new ATOM 0 HA ASN A 60 2.656 1.230 7.102 1.00 0.00 H new ATOM 0 HB2 ASN A 60 0.848 1.562 5.417 1.00 0.00 H new ATOM 0 HB3 ASN A 60 0.700 -0.009 6.181 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -1.894 2.058 8.394 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -0.166 1.867 8.707 1.00 0.00 H new