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= 1.68 USER MOD Set 1.2: A 15 CYS SG : rot -57:sc= 0.365! USER MOD Set 1.3: A 17 THR OG1 : rot 100:sc= -2.76! USER MOD Set 1.4: A 33 CYS SG : rot -134:sc= 1.2 USER MOD Set 1.5: A 36 CYS SG : rot 146:sc= -0.0216 USER MOD Set 2.1: A 20 THR OG1 : rot -66:sc= 0.723 USER MOD Set 2.2: A 34 ASN : amide:sc= -8.45! C(o=-7.7!,f=-18!) USER MOD Set 3.1: A 18 GLN : amide:sc= -5.39! C(o=-7.2!,f=-8.4!) USER MOD Set 3.2: A 19 THR OG1 : rot 180:sc= -1.85! USER MOD Single : A 11 THR OG1 : rot 37:sc= 0.0943 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -4.4! C(o=-4.4!,f=-5!) USER MOD Single : A 26 ASN : amide:sc= -3.55! C(o=-3.5!,f=-16!) USER MOD Single : A 30 GLN : amide:sc= -1.79 K(o=-1.8,f=-2.8!) USER MOD Single : A 41 LYS NZ :NH3+ -167:sc=-0.00562 (180deg=-0.258) USER MOD Single : A 43 HIS : no HE2:sc= -7.53! C(o=-7.5!,f=-8.3!) USER MOD Single : A 50 SER OG : rot -30:sc= 0.206 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot -144:sc= 0.109 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -0.558 K(o=-0.56,f=-4.1!) USER MOD ----------------------------------------------------------------- ATOM 970 N THR A 11 12.110 6.994 31.364 1.00 0.00 N ATOM 971 CA THR A 11 11.629 5.641 31.797 1.00 0.00 C ATOM 972 C THR A 11 10.137 5.710 32.156 1.00 0.00 C ATOM 973 O THR A 11 9.732 6.443 33.036 1.00 0.00 O ATOM 974 CB THR A 11 12.431 5.174 33.016 1.00 0.00 C ATOM 975 OG1 THR A 11 13.807 5.091 32.669 1.00 0.00 O ATOM 976 CG2 THR A 11 11.934 3.796 33.460 1.00 0.00 C ATOM 0 HA THR A 11 11.769 4.933 30.980 1.00 0.00 H new ATOM 0 HB THR A 11 12.301 5.885 33.832 1.00 0.00 H new ATOM 0 HG1 THR A 11 14.034 5.820 32.055 1.00 0.00 H new ATOM 0 HG21 THR A 11 12.505 3.465 34.327 1.00 0.00 H new ATOM 0 HG22 THR A 11 10.878 3.857 33.723 1.00 0.00 H new ATOM 0 HG23 THR A 11 12.064 3.083 32.646 1.00 0.00 H new ATOM 984 N CYS A 12 9.322 4.949 31.471 1.00 0.00 N ATOM 985 CA CYS A 12 7.853 4.959 31.751 1.00 0.00 C ATOM 986 C CYS A 12 7.593 4.466 33.179 1.00 0.00 C ATOM 987 O CYS A 12 7.854 3.327 33.511 1.00 0.00 O ATOM 988 CB CYS A 12 7.132 4.047 30.755 1.00 0.00 C ATOM 989 SG CYS A 12 5.347 4.353 30.823 1.00 0.00 S ATOM 0 H CYS A 12 9.612 4.317 30.725 1.00 0.00 H new ATOM 0 HA CYS A 12 7.477 5.977 31.648 1.00 0.00 H new ATOM 0 HB2 CYS A 12 7.503 4.229 29.747 1.00 0.00 H new ATOM 0 HB3 CYS A 12 7.340 3.003 30.988 1.00 0.00 H new ATOM 0 HG CYS A 12 4.792 3.931 29.726 1.00 0.00 H new ATOM 994 N THR A 13 7.082 5.319 34.023 1.00 0.00 N ATOM 995 CA THR A 13 6.817 4.917 35.435 1.00 0.00 C ATOM 996 C THR A 13 5.725 3.847 35.505 1.00 0.00 C ATOM 997 O THR A 13 5.551 3.212 36.527 1.00 0.00 O ATOM 998 CB THR A 13 6.373 6.139 36.241 1.00 0.00 C ATOM 999 OG1 THR A 13 5.294 6.780 35.575 1.00 0.00 O ATOM 1000 CG2 THR A 13 7.545 7.110 36.381 1.00 0.00 C ATOM 0 H THR A 13 6.835 6.282 33.795 1.00 0.00 H new ATOM 0 HA THR A 13 7.737 4.506 35.851 1.00 0.00 H new ATOM 0 HB THR A 13 6.047 5.824 37.232 1.00 0.00 H new ATOM 0 HG1 THR A 13 5.009 7.562 36.092 1.00 0.00 H new ATOM 0 HG21 THR A 13 7.229 7.981 36.955 1.00 0.00 H new ATOM 0 HG22 THR A 13 8.368 6.615 36.896 1.00 0.00 H new ATOM 0 HG23 THR A 13 7.875 7.428 35.392 1.00 0.00 H new ATOM 1008 N ASN A 14 4.986 3.631 34.447 1.00 0.00 N ATOM 1009 CA ASN A 14 3.913 2.593 34.491 1.00 0.00 C ATOM 1010 C ASN A 14 4.421 1.289 33.869 1.00 0.00 C ATOM 1011 O ASN A 14 4.001 0.217 34.258 1.00 0.00 O ATOM 1012 CB ASN A 14 2.688 3.081 33.710 1.00 0.00 C ATOM 1013 CG ASN A 14 1.951 4.146 34.527 1.00 0.00 C ATOM 1014 OD1 ASN A 14 2.256 4.360 35.683 1.00 0.00 O ATOM 1015 ND2 ASN A 14 0.975 4.817 33.975 1.00 0.00 N ATOM 0 H ASN A 14 5.078 4.125 33.560 1.00 0.00 H new ATOM 0 HA ASN A 14 3.637 2.415 35.530 1.00 0.00 H new ATOM 0 HB2 ASN A 14 2.997 3.494 32.750 1.00 0.00 H new ATOM 0 HB3 ASN A 14 2.022 2.245 33.498 1.00 0.00 H new ATOM 0 HD21 ASN A 14 0.470 5.520 34.515 1.00 0.00 H new ATOM 0 HD22 ASN A 14 0.718 4.638 33.004 1.00 0.00 H new ATOM 1022 N CYS A 15 5.302 1.356 32.896 1.00 0.00 N ATOM 1023 CA CYS A 15 5.798 0.094 32.258 1.00 0.00 C ATOM 1024 C CYS A 15 7.289 0.203 31.899 1.00 0.00 C ATOM 1025 O CYS A 15 7.801 -0.567 31.111 1.00 0.00 O ATOM 1026 CB CYS A 15 4.963 -0.195 31.004 1.00 0.00 C ATOM 1027 SG CYS A 15 5.541 0.812 29.614 1.00 0.00 S ATOM 0 H CYS A 15 5.694 2.219 32.520 1.00 0.00 H new ATOM 0 HA CYS A 15 5.691 -0.727 32.967 1.00 0.00 H new ATOM 0 HB2 CYS A 15 5.033 -1.252 30.749 1.00 0.00 H new ATOM 0 HB3 CYS A 15 3.912 0.017 31.202 1.00 0.00 H new ATOM 0 HG CYS A 15 5.486 2.070 29.937 1.00 0.00 H new ATOM 1032 N PHE A 16 7.989 1.138 32.484 1.00 0.00 N ATOM 1033 CA PHE A 16 9.455 1.308 32.228 1.00 0.00 C ATOM 1034 C PHE A 16 9.821 1.236 30.739 1.00 0.00 C ATOM 1035 O PHE A 16 10.985 1.207 30.393 1.00 0.00 O ATOM 1036 CB PHE A 16 10.253 0.266 33.019 1.00 0.00 C ATOM 1037 CG PHE A 16 10.057 -1.122 32.458 1.00 0.00 C ATOM 1038 CD1 PHE A 16 9.024 -1.939 32.933 1.00 0.00 C ATOM 1039 CD2 PHE A 16 10.931 -1.600 31.473 1.00 0.00 C ATOM 1040 CE1 PHE A 16 8.862 -3.232 32.420 1.00 0.00 C ATOM 1041 CE2 PHE A 16 10.772 -2.895 30.964 1.00 0.00 C ATOM 1042 CZ PHE A 16 9.736 -3.711 31.438 1.00 0.00 C ATOM 0 H PHE A 16 7.598 1.809 33.146 1.00 0.00 H new ATOM 0 HA PHE A 16 9.717 2.311 32.566 1.00 0.00 H new ATOM 0 HB2 PHE A 16 11.312 0.523 32.996 1.00 0.00 H new ATOM 0 HB3 PHE A 16 9.943 0.285 34.064 1.00 0.00 H new ATOM 0 HD1 PHE A 16 8.352 -1.572 33.695 1.00 0.00 H new ATOM 0 HD2 PHE A 16 11.728 -0.970 31.106 1.00 0.00 H new ATOM 0 HE1 PHE A 16 8.062 -3.860 32.783 1.00 0.00 H new ATOM 0 HE2 PHE A 16 11.447 -3.265 30.207 1.00 0.00 H new ATOM 0 HZ PHE A 16 9.612 -4.709 31.045 1.00 0.00 H new ATOM 1052 N THR A 17 8.869 1.200 29.849 1.00 0.00 N ATOM 1053 CA THR A 17 9.214 1.125 28.395 1.00 0.00 C ATOM 1054 C THR A 17 10.182 2.256 28.032 1.00 0.00 C ATOM 1055 O THR A 17 9.959 3.396 28.367 1.00 0.00 O ATOM 1056 CB THR A 17 7.922 1.274 27.595 1.00 0.00 C ATOM 1057 OG1 THR A 17 7.210 0.056 27.698 1.00 0.00 O ATOM 1058 CG2 THR A 17 8.225 1.580 26.123 1.00 0.00 C ATOM 0 H THR A 17 7.871 1.219 30.060 1.00 0.00 H new ATOM 0 HA THR A 17 9.693 0.172 28.168 1.00 0.00 H new ATOM 0 HB THR A 17 7.333 2.101 27.991 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.508 0.144 28.376 1.00 0.00 H new ATOM 0 HG21 THR A 17 7.290 1.682 25.573 1.00 0.00 H new ATOM 0 HG22 THR A 17 8.790 2.509 26.053 1.00 0.00 H new ATOM 0 HG23 THR A 17 8.811 0.766 25.695 1.00 0.00 H new ATOM 1066 N GLN A 18 11.258 1.945 27.352 1.00 0.00 N ATOM 1067 CA GLN A 18 12.246 3.000 26.963 1.00 0.00 C ATOM 1068 C GLN A 18 12.069 3.365 25.485 1.00 0.00 C ATOM 1069 O GLN A 18 12.685 4.289 24.992 1.00 0.00 O ATOM 1070 CB GLN A 18 13.667 2.467 27.197 1.00 0.00 C ATOM 1071 CG GLN A 18 14.023 1.393 26.151 1.00 0.00 C ATOM 1072 CD GLN A 18 14.651 2.036 24.908 1.00 0.00 C ATOM 1073 OE1 GLN A 18 14.818 3.237 24.844 1.00 0.00 O ATOM 1074 NE2 GLN A 18 15.010 1.275 23.910 1.00 0.00 N ATOM 0 H GLN A 18 11.496 1.001 27.048 1.00 0.00 H new ATOM 0 HA GLN A 18 12.082 3.892 27.568 1.00 0.00 H new ATOM 0 HB2 GLN A 18 14.383 3.287 27.142 1.00 0.00 H new ATOM 0 HB3 GLN A 18 13.742 2.045 28.199 1.00 0.00 H new ATOM 0 HG2 GLN A 18 14.717 0.672 26.584 1.00 0.00 H new ATOM 0 HG3 GLN A 18 13.126 0.842 25.868 1.00 0.00 H new ATOM 0 HE21 GLN A 18 14.870 0.266 23.962 1.00 0.00 H new ATOM 0 HE22 GLN A 18 15.430 1.689 23.078 1.00 0.00 H new ATOM 1083 N THR A 19 11.237 2.644 24.774 1.00 0.00 N ATOM 1084 CA THR A 19 11.015 2.937 23.322 1.00 0.00 C ATOM 1085 C THR A 19 9.537 3.270 23.084 1.00 0.00 C ATOM 1086 O THR A 19 8.660 2.515 23.452 1.00 0.00 O ATOM 1087 CB THR A 19 11.392 1.692 22.513 1.00 0.00 C ATOM 1088 OG1 THR A 19 12.757 1.377 22.745 1.00 0.00 O ATOM 1089 CG2 THR A 19 11.181 1.959 21.024 1.00 0.00 C ATOM 0 H THR A 19 10.698 1.859 25.139 1.00 0.00 H new ATOM 0 HA THR A 19 11.626 3.786 23.015 1.00 0.00 H new ATOM 0 HB THR A 19 10.763 0.857 22.822 1.00 0.00 H new ATOM 0 HG1 THR A 19 13.001 0.580 22.230 1.00 0.00 H new ATOM 0 HG21 THR A 19 11.451 1.070 20.453 1.00 0.00 H new ATOM 0 HG22 THR A 19 10.134 2.203 20.843 1.00 0.00 H new ATOM 0 HG23 THR A 19 11.807 2.795 20.712 1.00 0.00 H new ATOM 1097 N THR A 20 9.246 4.391 22.468 1.00 0.00 N ATOM 1098 CA THR A 20 7.815 4.740 22.218 1.00 0.00 C ATOM 1099 C THR A 20 7.706 5.833 21.135 1.00 0.00 C ATOM 1100 O THR A 20 8.515 6.739 21.093 1.00 0.00 O ATOM 1101 CB THR A 20 7.180 5.251 23.519 1.00 0.00 C ATOM 1102 OG1 THR A 20 5.770 5.298 23.363 1.00 0.00 O ATOM 1103 CG2 THR A 20 7.701 6.654 23.858 1.00 0.00 C ATOM 0 H THR A 20 9.929 5.070 22.132 1.00 0.00 H new ATOM 0 HA THR A 20 7.292 3.848 21.873 1.00 0.00 H new ATOM 0 HB THR A 20 7.445 4.574 24.331 1.00 0.00 H new ATOM 0 HG1 THR A 20 5.537 5.975 22.693 1.00 0.00 H new ATOM 0 HG21 THR A 20 7.240 7.000 24.783 1.00 0.00 H new ATOM 0 HG22 THR A 20 8.783 6.620 23.983 1.00 0.00 H new ATOM 0 HG23 THR A 20 7.450 7.340 23.049 1.00 0.00 H new ATOM 1111 N PRO A 21 6.707 5.773 20.280 1.00 0.00 N ATOM 1112 CA PRO A 21 6.506 6.802 19.218 1.00 0.00 C ATOM 1113 C PRO A 21 6.722 8.221 19.755 1.00 0.00 C ATOM 1114 O PRO A 21 7.381 9.038 19.145 1.00 0.00 O ATOM 1115 CB PRO A 21 5.043 6.610 18.789 1.00 0.00 C ATOM 1116 CG PRO A 21 4.693 5.194 19.137 1.00 0.00 C ATOM 1117 CD PRO A 21 5.672 4.725 20.223 1.00 0.00 C ATOM 0 HA PRO A 21 7.215 6.685 18.398 1.00 0.00 H new ATOM 0 HB2 PRO A 21 4.389 7.312 19.307 1.00 0.00 H new ATOM 0 HB3 PRO A 21 4.923 6.790 17.721 1.00 0.00 H new ATOM 0 HG2 PRO A 21 3.665 5.131 19.495 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.763 4.555 18.257 1.00 0.00 H new ATOM 0 HD2 PRO A 21 5.171 4.612 21.184 1.00 0.00 H new ATOM 0 HD3 PRO A 21 6.104 3.756 19.973 1.00 0.00 H new ATOM 1125 N VAL A 22 6.169 8.509 20.901 1.00 0.00 N ATOM 1126 CA VAL A 22 6.336 9.865 21.497 1.00 0.00 C ATOM 1127 C VAL A 22 5.929 9.804 22.972 1.00 0.00 C ATOM 1128 O VAL A 22 5.126 8.986 23.374 1.00 0.00 O ATOM 1129 CB VAL A 22 5.485 10.888 20.733 1.00 0.00 C ATOM 1130 CG1 VAL A 22 3.998 10.595 20.930 1.00 0.00 C ATOM 1131 CG2 VAL A 22 5.798 12.297 21.242 1.00 0.00 C ATOM 0 H VAL A 22 5.606 7.861 21.452 1.00 0.00 H new ATOM 0 HA VAL A 22 7.377 10.181 21.424 1.00 0.00 H new ATOM 0 HB VAL A 22 5.722 10.819 19.671 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.407 11.329 20.382 1.00 0.00 H new ATOM 0 HG12 VAL A 22 3.772 9.596 20.558 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.754 10.651 21.991 1.00 0.00 H new ATOM 0 HG21 VAL A 22 5.193 13.023 20.699 1.00 0.00 H new ATOM 0 HG22 VAL A 22 5.570 12.358 22.306 1.00 0.00 H new ATOM 0 HG23 VAL A 22 6.854 12.515 21.084 1.00 0.00 H new ATOM 1141 N TRP A 23 6.524 10.629 23.787 1.00 0.00 N ATOM 1142 CA TRP A 23 6.231 10.585 25.248 1.00 0.00 C ATOM 1143 C TRP A 23 4.954 11.353 25.593 1.00 0.00 C ATOM 1144 O TRP A 23 4.727 12.463 25.155 1.00 0.00 O ATOM 1145 CB TRP A 23 7.422 11.181 26.008 1.00 0.00 C ATOM 1146 CG TRP A 23 8.525 10.173 26.038 1.00 0.00 C ATOM 1147 CD1 TRP A 23 9.651 10.214 25.293 1.00 0.00 C ATOM 1148 CD2 TRP A 23 8.602 8.957 26.832 1.00 0.00 C ATOM 1149 NE1 TRP A 23 10.420 9.101 25.584 1.00 0.00 N ATOM 1150 CE2 TRP A 23 9.814 8.297 26.529 1.00 0.00 C ATOM 1151 CE3 TRP A 23 7.744 8.375 27.779 1.00 0.00 C ATOM 1152 CZ2 TRP A 23 10.161 7.093 27.146 1.00 0.00 C ATOM 1153 CZ3 TRP A 23 8.089 7.169 28.401 1.00 0.00 C ATOM 1154 CH2 TRP A 23 9.293 6.530 28.086 1.00 0.00 C ATOM 0 H TRP A 23 7.203 11.335 23.504 1.00 0.00 H new ATOM 0 HA TRP A 23 6.075 9.547 25.540 1.00 0.00 H new ATOM 0 HB2 TRP A 23 7.760 12.096 25.522 1.00 0.00 H new ATOM 0 HB3 TRP A 23 7.127 11.449 27.023 1.00 0.00 H new ATOM 0 HD1 TRP A 23 9.909 10.989 24.586 1.00 0.00 H new ATOM 0 HE1 TRP A 23 11.323 8.899 25.154 1.00 0.00 H new ATOM 0 HE3 TRP A 23 6.812 8.861 28.029 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 11.091 6.602 26.899 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 7.422 6.730 29.128 1.00 0.00 H new ATOM 0 HH2 TRP A 23 9.552 5.600 28.570 1.00 0.00 H new ATOM 1165 N ARG A 24 4.127 10.741 26.400 1.00 0.00 N ATOM 1166 CA ARG A 24 2.847 11.370 26.837 1.00 0.00 C ATOM 1167 C ARG A 24 3.019 11.915 28.255 1.00 0.00 C ATOM 1168 O ARG A 24 3.967 11.593 28.944 1.00 0.00 O ATOM 1169 CB ARG A 24 1.736 10.310 26.852 1.00 0.00 C ATOM 1170 CG ARG A 24 1.356 9.882 25.427 1.00 0.00 C ATOM 1171 CD ARG A 24 0.363 10.879 24.815 1.00 0.00 C ATOM 1172 NE ARG A 24 0.074 10.501 23.403 1.00 0.00 N ATOM 1173 CZ ARG A 24 -0.992 10.968 22.808 1.00 0.00 C ATOM 1174 NH1 ARG A 24 -1.853 11.684 23.478 1.00 0.00 N ATOM 1175 NH2 ARG A 24 -1.207 10.702 21.549 1.00 0.00 N ATOM 0 H ARG A 24 4.290 9.810 26.783 1.00 0.00 H new ATOM 0 HA ARG A 24 2.584 12.175 26.151 1.00 0.00 H new ATOM 0 HB2 ARG A 24 2.067 9.440 27.419 1.00 0.00 H new ATOM 0 HB3 ARG A 24 0.858 10.707 27.361 1.00 0.00 H new ATOM 0 HG2 ARG A 24 2.251 9.824 24.807 1.00 0.00 H new ATOM 0 HG3 ARG A 24 0.915 8.885 25.445 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -0.560 10.889 25.395 1.00 0.00 H new ATOM 0 HD3 ARG A 24 0.775 11.887 24.854 1.00 0.00 H new ATOM 0 HE ARG A 24 0.707 9.878 22.901 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -1.694 11.879 24.466 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -2.685 12.048 23.013 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -0.543 10.129 21.028 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -2.039 11.067 21.086 1.00 0.00 H new ATOM 1189 N ARG A 25 2.094 12.721 28.698 1.00 0.00 N ATOM 1190 CA ARG A 25 2.165 13.284 30.079 1.00 0.00 C ATOM 1191 C ARG A 25 0.775 13.173 30.701 1.00 0.00 C ATOM 1192 O ARG A 25 -0.203 12.992 30.005 1.00 0.00 O ATOM 1193 CB ARG A 25 2.605 14.750 30.036 1.00 0.00 C ATOM 1194 CG ARG A 25 4.041 14.831 29.513 1.00 0.00 C ATOM 1195 CD ARG A 25 4.580 16.250 29.704 1.00 0.00 C ATOM 1196 NE ARG A 25 5.929 16.359 29.081 1.00 0.00 N ATOM 1197 CZ ARG A 25 6.444 17.536 28.849 1.00 0.00 C ATOM 1198 NH1 ARG A 25 5.774 18.612 29.157 1.00 0.00 N ATOM 1199 NH2 ARG A 25 7.627 17.636 28.308 1.00 0.00 N ATOM 0 H ARG A 25 1.282 13.018 28.157 1.00 0.00 H new ATOM 0 HA ARG A 25 2.894 12.732 30.672 1.00 0.00 H new ATOM 0 HB2 ARG A 25 1.938 15.323 29.392 1.00 0.00 H new ATOM 0 HB3 ARG A 25 2.543 15.190 31.031 1.00 0.00 H new ATOM 0 HG2 ARG A 25 4.672 14.118 30.043 1.00 0.00 H new ATOM 0 HG3 ARG A 25 4.070 14.560 28.458 1.00 0.00 H new ATOM 0 HD2 ARG A 25 3.900 16.972 29.252 1.00 0.00 H new ATOM 0 HD3 ARG A 25 4.638 16.488 30.766 1.00 0.00 H new ATOM 0 HE ARG A 25 6.449 15.516 28.836 1.00 0.00 H new ATOM 0 HH11 ARG A 25 4.849 18.533 29.579 1.00 0.00 H new ATOM 0 HH12 ARG A 25 6.176 19.532 28.976 1.00 0.00 H new ATOM 0 HH21 ARG A 25 8.150 16.794 28.066 1.00 0.00 H new ATOM 0 HH22 ARG A 25 8.029 18.556 28.127 1.00 0.00 H new ATOM 1213 N ASN A 26 0.679 13.257 32.004 1.00 0.00 N ATOM 1214 CA ASN A 26 -0.649 13.132 32.680 1.00 0.00 C ATOM 1215 C ASN A 26 -0.852 14.336 33.616 1.00 0.00 C ATOM 1216 O ASN A 26 0.103 14.840 34.169 1.00 0.00 O ATOM 1217 CB ASN A 26 -0.639 11.823 33.486 1.00 0.00 C ATOM 1218 CG ASN A 26 -1.722 11.839 34.569 1.00 0.00 C ATOM 1219 OD1 ASN A 26 -1.635 12.591 35.519 1.00 0.00 O ATOM 1220 ND2 ASN A 26 -2.747 11.039 34.462 1.00 0.00 N ATOM 0 H ASN A 26 1.468 13.408 32.632 1.00 0.00 H new ATOM 0 HA ASN A 26 -1.462 13.116 31.954 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -0.801 10.978 32.817 1.00 0.00 H new ATOM 0 HB3 ASN A 26 0.339 11.682 33.946 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -3.475 11.045 35.176 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -2.820 10.408 33.664 1.00 0.00 H new ATOM 1227 N PRO A 27 -2.075 14.794 33.809 1.00 0.00 N ATOM 1228 CA PRO A 27 -2.368 15.943 34.722 1.00 0.00 C ATOM 1229 C PRO A 27 -1.617 15.875 36.061 1.00 0.00 C ATOM 1230 O PRO A 27 -1.697 16.782 36.865 1.00 0.00 O ATOM 1231 CB PRO A 27 -3.876 15.823 34.964 1.00 0.00 C ATOM 1232 CG PRO A 27 -4.416 15.218 33.712 1.00 0.00 C ATOM 1233 CD PRO A 27 -3.316 14.297 33.170 1.00 0.00 C ATOM 0 HA PRO A 27 -2.050 16.886 34.278 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -4.089 15.196 35.830 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -4.324 16.797 35.158 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -5.329 14.657 33.913 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -4.670 15.990 32.985 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -3.507 13.255 33.428 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -3.253 14.350 32.083 1.00 0.00 H new ATOM 1241 N GLU A 28 -0.887 14.818 36.309 1.00 0.00 N ATOM 1242 CA GLU A 28 -0.130 14.701 37.592 1.00 0.00 C ATOM 1243 C GLU A 28 1.330 15.089 37.346 1.00 0.00 C ATOM 1244 O GLU A 28 2.071 15.390 38.261 1.00 0.00 O ATOM 1245 CB GLU A 28 -0.210 13.255 38.080 1.00 0.00 C ATOM 1246 CG GLU A 28 -1.640 12.960 38.537 1.00 0.00 C ATOM 1247 CD GLU A 28 -1.737 11.514 39.023 1.00 0.00 C ATOM 1248 OE1 GLU A 28 -0.797 10.769 38.797 1.00 0.00 O ATOM 1249 OE2 GLU A 28 -2.746 11.176 39.619 1.00 0.00 O ATOM 0 H GLU A 28 -0.782 14.026 35.674 1.00 0.00 H new ATOM 0 HA GLU A 28 -0.556 15.363 38.346 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.078 12.572 37.281 1.00 0.00 H new ATOM 0 HB3 GLU A 28 0.488 13.096 38.902 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.924 13.643 39.338 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -2.336 13.125 37.715 1.00 0.00 H new ATOM 1256 N GLY A 29 1.738 15.097 36.106 1.00 0.00 N ATOM 1257 CA GLY A 29 3.140 15.477 35.764 1.00 0.00 C ATOM 1258 C GLY A 29 4.038 14.240 35.706 1.00 0.00 C ATOM 1259 O GLY A 29 5.238 14.347 35.550 1.00 0.00 O ATOM 0 H GLY A 29 1.154 14.854 35.306 1.00 0.00 H new ATOM 0 HA2 GLY A 29 3.158 15.991 34.803 1.00 0.00 H new ATOM 0 HA3 GLY A 29 3.524 16.176 36.507 1.00 0.00 H new ATOM 1263 N GLN A 30 3.479 13.063 35.809 1.00 0.00 N ATOM 1264 CA GLN A 30 4.327 11.837 35.736 1.00 0.00 C ATOM 1265 C GLN A 30 4.566 11.483 34.260 1.00 0.00 C ATOM 1266 O GLN A 30 3.671 11.613 33.449 1.00 0.00 O ATOM 1267 CB GLN A 30 3.620 10.669 36.434 1.00 0.00 C ATOM 1268 CG GLN A 30 2.253 10.415 35.792 1.00 0.00 C ATOM 1269 CD GLN A 30 1.564 9.258 36.518 1.00 0.00 C ATOM 1270 OE1 GLN A 30 0.645 8.658 35.999 1.00 0.00 O ATOM 1271 NE2 GLN A 30 1.978 8.914 37.707 1.00 0.00 N ATOM 0 H GLN A 30 2.481 12.898 35.939 1.00 0.00 H new ATOM 0 HA GLN A 30 5.279 12.023 36.233 1.00 0.00 H new ATOM 0 HB2 GLN A 30 4.234 9.771 36.366 1.00 0.00 H new ATOM 0 HB3 GLN A 30 3.496 10.891 37.494 1.00 0.00 H new ATOM 0 HG2 GLN A 30 1.638 11.313 35.849 1.00 0.00 H new ATOM 0 HG3 GLN A 30 2.373 10.177 34.735 1.00 0.00 H new ATOM 0 HE21 GLN A 30 2.750 9.418 38.144 1.00 0.00 H new ATOM 0 HE22 GLN A 30 1.530 8.142 38.199 1.00 0.00 H new ATOM 1280 N PRO A 31 5.745 11.032 33.893 1.00 0.00 N ATOM 1281 CA PRO A 31 6.039 10.658 32.479 1.00 0.00 C ATOM 1282 C PRO A 31 5.462 9.283 32.129 1.00 0.00 C ATOM 1283 O PRO A 31 5.595 8.336 32.877 1.00 0.00 O ATOM 1284 CB PRO A 31 7.567 10.640 32.428 1.00 0.00 C ATOM 1285 CG PRO A 31 7.977 10.234 33.805 1.00 0.00 C ATOM 1286 CD PRO A 31 6.926 10.825 34.755 1.00 0.00 C ATOM 0 HA PRO A 31 5.594 11.347 31.761 1.00 0.00 H new ATOM 0 HB2 PRO A 31 7.932 9.936 31.680 1.00 0.00 H new ATOM 0 HB3 PRO A 31 7.968 11.619 32.166 1.00 0.00 H new ATOM 0 HG2 PRO A 31 8.017 9.148 33.895 1.00 0.00 H new ATOM 0 HG3 PRO A 31 8.972 10.611 34.042 1.00 0.00 H new ATOM 0 HD2 PRO A 31 6.705 10.146 35.579 1.00 0.00 H new ATOM 0 HD3 PRO A 31 7.268 11.761 35.196 1.00 0.00 H new ATOM 1294 N LEU A 32 4.820 9.175 30.997 1.00 0.00 N ATOM 1295 CA LEU A 32 4.219 7.869 30.581 1.00 0.00 C ATOM 1296 C LEU A 32 4.469 7.648 29.090 1.00 0.00 C ATOM 1297 O LEU A 32 4.512 8.582 28.314 1.00 0.00 O ATOM 1298 CB LEU A 32 2.711 7.892 30.856 1.00 0.00 C ATOM 1299 CG LEU A 32 2.443 8.057 32.360 1.00 0.00 C ATOM 1300 CD1 LEU A 32 0.954 8.327 32.583 1.00 0.00 C ATOM 1301 CD2 LEU A 32 2.847 6.783 33.118 1.00 0.00 C ATOM 0 H LEU A 32 4.684 9.940 30.336 1.00 0.00 H new ATOM 0 HA LEU A 32 4.676 7.058 31.147 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.247 8.710 30.306 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.256 6.969 30.498 1.00 0.00 H new ATOM 0 HG LEU A 32 3.033 8.894 32.734 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.761 8.444 33.649 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.667 9.239 32.060 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.371 7.490 32.199 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.651 6.915 34.182 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.268 5.938 32.745 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.909 6.590 32.966 1.00 0.00 H new ATOM 1313 N CYS A 33 4.626 6.417 28.679 1.00 0.00 N ATOM 1314 CA CYS A 33 4.867 6.138 27.237 1.00 0.00 C ATOM 1315 C CYS A 33 3.556 6.275 26.458 1.00 0.00 C ATOM 1316 O CYS A 33 2.545 6.685 26.994 1.00 0.00 O ATOM 1317 CB CYS A 33 5.449 4.730 27.075 1.00 0.00 C ATOM 1318 SG CYS A 33 4.162 3.490 27.349 1.00 0.00 S ATOM 0 H CYS A 33 4.597 5.594 29.281 1.00 0.00 H new ATOM 0 HA CYS A 33 5.583 6.858 26.840 1.00 0.00 H new ATOM 0 HB2 CYS A 33 5.869 4.615 26.076 1.00 0.00 H new ATOM 0 HB3 CYS A 33 6.264 4.582 27.783 1.00 0.00 H new ATOM 0 HG CYS A 33 4.619 2.555 28.128 1.00 0.00 H new ATOM 1323 N ASN A 34 3.569 5.956 25.192 1.00 0.00 N ATOM 1324 CA ASN A 34 2.331 6.092 24.371 1.00 0.00 C ATOM 1325 C ASN A 34 1.276 5.048 24.757 1.00 0.00 C ATOM 1326 O ASN A 34 0.116 5.368 24.922 1.00 0.00 O ATOM 1327 CB ASN A 34 2.692 5.927 22.891 1.00 0.00 C ATOM 1328 CG ASN A 34 3.363 7.203 22.387 1.00 0.00 C ATOM 1329 OD1 ASN A 34 4.360 7.146 21.695 1.00 0.00 O ATOM 1330 ND2 ASN A 34 2.849 8.360 22.704 1.00 0.00 N ATOM 0 H ASN A 34 4.385 5.606 24.690 1.00 0.00 H new ATOM 0 HA ASN A 34 1.907 7.079 24.555 1.00 0.00 H new ATOM 0 HB2 ASN A 34 3.360 5.076 22.761 1.00 0.00 H new ATOM 0 HB3 ASN A 34 1.795 5.720 22.307 1.00 0.00 H new ATOM 0 HD21 ASN A 34 3.284 9.220 22.371 1.00 0.00 H new ATOM 0 HD22 ASN A 34 2.012 8.404 23.285 1.00 0.00 H new ATOM 1337 N ALA A 35 1.646 3.804 24.869 1.00 0.00 N ATOM 1338 CA ALA A 35 0.632 2.761 25.203 1.00 0.00 C ATOM 1339 C ALA A 35 -0.033 3.052 26.556 1.00 0.00 C ATOM 1340 O ALA A 35 -1.243 3.038 26.671 1.00 0.00 O ATOM 1341 CB ALA A 35 1.314 1.393 25.238 1.00 0.00 C ATOM 0 H ALA A 35 2.599 3.463 24.745 1.00 0.00 H new ATOM 0 HA ALA A 35 -0.145 2.768 24.439 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.579 0.626 25.482 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.752 1.180 24.263 1.00 0.00 H new ATOM 0 HB3 ALA A 35 2.099 1.397 25.995 1.00 0.00 H new ATOM 1347 N CYS A 36 0.736 3.301 27.583 1.00 0.00 N ATOM 1348 CA CYS A 36 0.125 3.572 28.921 1.00 0.00 C ATOM 1349 C CYS A 36 -0.792 4.794 28.846 1.00 0.00 C ATOM 1350 O CYS A 36 -1.911 4.769 29.309 1.00 0.00 O ATOM 1351 CB CYS A 36 1.217 3.863 29.954 1.00 0.00 C ATOM 1352 SG CYS A 36 2.180 2.370 30.299 1.00 0.00 S ATOM 0 H CYS A 36 1.755 3.329 27.556 1.00 0.00 H new ATOM 0 HA CYS A 36 -0.445 2.690 29.215 1.00 0.00 H new ATOM 0 HB2 CYS A 36 1.875 4.649 29.584 1.00 0.00 H new ATOM 0 HB3 CYS A 36 0.765 4.232 30.875 1.00 0.00 H new ATOM 0 HG CYS A 36 3.415 2.696 30.540 1.00 0.00 H new ATOM 1357 N GLY A 37 -0.324 5.865 28.271 1.00 0.00 N ATOM 1358 CA GLY A 37 -1.169 7.090 28.186 1.00 0.00 C ATOM 1359 C GLY A 37 -2.448 6.788 27.407 1.00 0.00 C ATOM 1360 O GLY A 37 -3.539 7.099 27.844 1.00 0.00 O ATOM 0 H GLY A 37 0.605 5.947 27.857 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.417 7.441 29.188 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.615 7.891 27.696 1.00 0.00 H new ATOM 1364 N LEU A 38 -2.327 6.191 26.255 1.00 0.00 N ATOM 1365 CA LEU A 38 -3.541 5.876 25.451 1.00 0.00 C ATOM 1366 C LEU A 38 -4.370 4.789 26.142 1.00 0.00 C ATOM 1367 O LEU A 38 -5.549 4.949 26.380 1.00 0.00 O ATOM 1368 CB LEU A 38 -3.115 5.363 24.074 1.00 0.00 C ATOM 1369 CG LEU A 38 -2.298 6.425 23.328 1.00 0.00 C ATOM 1370 CD1 LEU A 38 -1.701 5.793 22.067 1.00 0.00 C ATOM 1371 CD2 LEU A 38 -3.195 7.606 22.932 1.00 0.00 C ATOM 0 H LEU A 38 -1.442 5.908 25.835 1.00 0.00 H new ATOM 0 HA LEU A 38 -4.140 6.781 25.352 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.523 4.454 24.186 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.997 5.099 23.490 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.503 6.792 23.978 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.117 6.539 21.528 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -1.056 4.961 22.348 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.505 5.429 21.427 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.602 8.352 22.403 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.996 7.253 22.283 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.625 8.053 23.828 1.00 0.00 H new ATOM 1383 N PHE A 39 -3.767 3.671 26.445 1.00 0.00 N ATOM 1384 CA PHE A 39 -4.529 2.565 27.093 1.00 0.00 C ATOM 1385 C PHE A 39 -5.037 2.967 28.483 1.00 0.00 C ATOM 1386 O PHE A 39 -6.185 2.756 28.813 1.00 0.00 O ATOM 1387 CB PHE A 39 -3.642 1.324 27.223 1.00 0.00 C ATOM 1388 CG PHE A 39 -4.440 0.226 27.886 1.00 0.00 C ATOM 1389 CD1 PHE A 39 -4.457 0.126 29.282 1.00 0.00 C ATOM 1390 CD2 PHE A 39 -5.179 -0.676 27.111 1.00 0.00 C ATOM 1391 CE1 PHE A 39 -5.209 -0.878 29.904 1.00 0.00 C ATOM 1392 CE2 PHE A 39 -5.933 -1.679 27.733 1.00 0.00 C ATOM 1393 CZ PHE A 39 -5.948 -1.780 29.129 1.00 0.00 C ATOM 0 H PHE A 39 -2.781 3.476 26.272 1.00 0.00 H new ATOM 0 HA PHE A 39 -5.390 2.346 26.462 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -3.298 1.001 26.241 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -2.754 1.554 27.812 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -3.890 0.824 29.880 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -5.168 -0.598 26.034 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -5.219 -0.957 30.981 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -6.503 -2.375 27.135 1.00 0.00 H new ATOM 0 HZ PHE A 39 -6.530 -2.554 29.608 1.00 0.00 H new ATOM 1403 N LEU A 40 -4.185 3.501 29.315 1.00 0.00 N ATOM 1404 CA LEU A 40 -4.623 3.862 30.696 1.00 0.00 C ATOM 1405 C LEU A 40 -5.759 4.887 30.649 1.00 0.00 C ATOM 1406 O LEU A 40 -6.772 4.732 31.300 1.00 0.00 O ATOM 1407 CB LEU A 40 -3.436 4.451 31.468 1.00 0.00 C ATOM 1408 CG LEU A 40 -3.764 4.582 32.962 1.00 0.00 C ATOM 1409 CD1 LEU A 40 -3.793 3.200 33.636 1.00 0.00 C ATOM 1410 CD2 LEU A 40 -2.684 5.441 33.626 1.00 0.00 C ATOM 0 H LEU A 40 -3.208 3.703 29.101 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.983 2.963 31.197 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.561 3.814 31.338 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -3.182 5.429 31.060 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.745 5.043 33.072 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.027 3.316 34.694 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.554 2.580 33.162 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.819 2.723 33.530 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.903 5.544 34.689 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.712 4.965 33.500 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.667 6.427 33.162 1.00 0.00 H new ATOM 1422 N LYS A 41 -5.596 5.942 29.899 1.00 0.00 N ATOM 1423 CA LYS A 41 -6.667 6.976 29.833 1.00 0.00 C ATOM 1424 C LYS A 41 -7.946 6.385 29.233 1.00 0.00 C ATOM 1425 O LYS A 41 -9.037 6.636 29.706 1.00 0.00 O ATOM 1426 CB LYS A 41 -6.186 8.150 28.975 1.00 0.00 C ATOM 1427 CG LYS A 41 -7.208 9.287 29.046 1.00 0.00 C ATOM 1428 CD LYS A 41 -6.714 10.474 28.216 1.00 0.00 C ATOM 1429 CE LYS A 41 -7.624 11.680 28.458 1.00 0.00 C ATOM 1430 NZ LYS A 41 -8.999 11.372 27.973 1.00 0.00 N ATOM 0 H LYS A 41 -4.771 6.132 29.331 1.00 0.00 H new ATOM 0 HA LYS A 41 -6.887 7.324 30.842 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -5.215 8.497 29.327 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -6.054 7.829 27.942 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -8.173 8.946 28.672 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.357 9.592 30.082 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -5.687 10.719 28.488 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -6.710 10.215 27.157 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -7.648 11.923 29.520 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -7.232 12.555 27.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -9.557 12.249 27.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -8.946 10.950 27.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -9.455 10.702 28.625 1.00 0.00 H new ATOM 1444 N LEU A 42 -7.825 5.622 28.182 1.00 0.00 N ATOM 1445 CA LEU A 42 -9.039 5.039 27.538 1.00 0.00 C ATOM 1446 C LEU A 42 -9.665 3.950 28.419 1.00 0.00 C ATOM 1447 O LEU A 42 -10.871 3.870 28.545 1.00 0.00 O ATOM 1448 CB LEU A 42 -8.649 4.434 26.187 1.00 0.00 C ATOM 1449 CG LEU A 42 -8.180 5.537 25.228 1.00 0.00 C ATOM 1450 CD1 LEU A 42 -7.556 4.887 23.991 1.00 0.00 C ATOM 1451 CD2 LEU A 42 -9.363 6.420 24.797 1.00 0.00 C ATOM 0 H LEU A 42 -6.939 5.376 27.740 1.00 0.00 H new ATOM 0 HA LEU A 42 -9.773 5.833 27.401 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -7.855 3.700 26.325 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -9.500 3.906 25.757 1.00 0.00 H new ATOM 0 HG LEU A 42 -7.447 6.162 25.738 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -7.219 5.663 23.303 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.706 4.275 24.292 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -8.298 4.260 23.496 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -9.010 7.196 24.118 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -10.109 5.807 24.291 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -9.810 6.884 25.676 1.00 0.00 H new ATOM 1463 N HIS A 43 -8.874 3.089 29.004 1.00 0.00 N ATOM 1464 CA HIS A 43 -9.456 1.991 29.836 1.00 0.00 C ATOM 1465 C HIS A 43 -9.759 2.484 31.255 1.00 0.00 C ATOM 1466 O HIS A 43 -10.797 2.181 31.808 1.00 0.00 O ATOM 1467 CB HIS A 43 -8.464 0.823 29.885 1.00 0.00 C ATOM 1468 CG HIS A 43 -8.519 0.070 28.582 1.00 0.00 C ATOM 1469 ND1 HIS A 43 -7.862 0.511 27.445 1.00 0.00 N ATOM 1470 CD2 HIS A 43 -9.167 -1.085 28.218 1.00 0.00 C ATOM 1471 CE1 HIS A 43 -8.131 -0.363 26.457 1.00 0.00 C ATOM 1472 NE2 HIS A 43 -8.920 -1.355 26.875 1.00 0.00 N ATOM 0 H HIS A 43 -7.856 3.097 28.943 1.00 0.00 H new ATOM 0 HA HIS A 43 -10.393 1.662 29.387 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -7.455 1.195 30.061 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -8.708 0.158 30.713 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -7.281 1.346 27.370 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -9.775 -1.691 28.873 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -7.754 -0.272 25.449 1.00 0.00 H new ATOM 1480 N GLY A 44 -8.885 3.248 31.850 1.00 0.00 N ATOM 1481 CA GLY A 44 -9.165 3.759 33.224 1.00 0.00 C ATOM 1482 C GLY A 44 -9.044 2.646 34.272 1.00 0.00 C ATOM 1483 O GLY A 44 -9.418 2.838 35.413 1.00 0.00 O ATOM 0 H GLY A 44 -7.994 3.540 31.448 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -8.469 4.563 33.463 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -10.168 4.185 33.258 1.00 0.00 H new ATOM 1487 N VAL A 45 -8.547 1.487 33.917 1.00 0.00 N ATOM 1488 CA VAL A 45 -8.434 0.384 34.926 1.00 0.00 C ATOM 1489 C VAL A 45 -7.119 -0.378 34.752 1.00 0.00 C ATOM 1490 O VAL A 45 -6.672 -0.639 33.653 1.00 0.00 O ATOM 1491 CB VAL A 45 -9.595 -0.592 34.751 1.00 0.00 C ATOM 1492 CG1 VAL A 45 -10.899 0.077 35.188 1.00 0.00 C ATOM 1493 CG2 VAL A 45 -9.705 -0.996 33.280 1.00 0.00 C ATOM 0 H VAL A 45 -8.216 1.256 32.980 1.00 0.00 H new ATOM 0 HA VAL A 45 -8.460 0.827 35.921 1.00 0.00 H new ATOM 0 HB VAL A 45 -9.416 -1.477 35.362 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -11.726 -0.622 35.062 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -10.826 0.367 36.236 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -11.076 0.963 34.578 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -10.534 -1.693 33.155 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -9.882 -0.109 32.671 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -8.778 -1.474 32.964 1.00 0.00 H new ATOM 1503 N VAL A 46 -6.505 -0.734 35.847 1.00 0.00 N ATOM 1504 CA VAL A 46 -5.217 -1.483 35.790 1.00 0.00 C ATOM 1505 C VAL A 46 -5.398 -2.788 35.010 1.00 0.00 C ATOM 1506 O VAL A 46 -6.422 -3.438 35.090 1.00 0.00 O ATOM 1507 CB VAL A 46 -4.749 -1.806 37.212 1.00 0.00 C ATOM 1508 CG1 VAL A 46 -4.368 -0.513 37.937 1.00 0.00 C ATOM 1509 CG2 VAL A 46 -5.877 -2.499 37.979 1.00 0.00 C ATOM 0 H VAL A 46 -6.844 -0.536 36.788 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.473 -0.866 35.287 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.882 -2.464 37.161 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.036 -0.747 38.948 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.562 -0.016 37.396 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.234 0.147 37.984 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -5.542 -2.728 38.991 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -6.744 -1.840 38.024 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -6.149 -3.423 37.469 1.00 0.00 H new ATOM 1519 N ARG A 47 -4.397 -3.180 34.267 1.00 0.00 N ATOM 1520 CA ARG A 47 -4.472 -4.450 33.485 1.00 0.00 C ATOM 1521 C ARG A 47 -3.042 -4.993 33.321 1.00 0.00 C ATOM 1522 O ARG A 47 -2.143 -4.229 33.031 1.00 0.00 O ATOM 1523 CB ARG A 47 -5.074 -4.166 32.101 1.00 0.00 C ATOM 1524 CG ARG A 47 -5.337 -5.489 31.376 1.00 0.00 C ATOM 1525 CD ARG A 47 -5.860 -5.233 29.962 1.00 0.00 C ATOM 1526 NE ARG A 47 -5.814 -6.511 29.194 1.00 0.00 N ATOM 1527 CZ ARG A 47 -6.485 -6.640 28.080 1.00 0.00 C ATOM 1528 NH1 ARG A 47 -7.219 -5.657 27.638 1.00 0.00 N ATOM 1529 NH2 ARG A 47 -6.425 -7.761 27.413 1.00 0.00 N ATOM 0 H ARG A 47 -3.520 -2.668 34.167 1.00 0.00 H new ATOM 0 HA ARG A 47 -5.099 -5.177 34.001 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -6.003 -3.605 32.205 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -4.393 -3.548 31.516 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -4.418 -6.073 31.329 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -6.062 -6.079 31.936 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -6.881 -4.852 30.000 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -5.255 -4.473 29.467 1.00 0.00 H new ATOM 0 HE ARG A 47 -5.255 -7.290 29.541 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -7.271 -4.784 28.162 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -7.741 -5.762 26.768 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -5.856 -8.532 27.762 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -6.947 -7.865 26.543 1.00 0.00 H new ATOM 1543 N PRO A 48 -2.807 -6.277 33.504 1.00 0.00 N ATOM 1544 CA PRO A 48 -1.448 -6.868 33.367 1.00 0.00 C ATOM 1545 C PRO A 48 -0.555 -6.148 32.354 1.00 0.00 C ATOM 1546 O PRO A 48 -0.753 -6.223 31.156 1.00 0.00 O ATOM 1547 CB PRO A 48 -1.749 -8.288 32.907 1.00 0.00 C ATOM 1548 CG PRO A 48 -3.013 -8.647 33.627 1.00 0.00 C ATOM 1549 CD PRO A 48 -3.779 -7.330 33.866 1.00 0.00 C ATOM 0 HA PRO A 48 -0.885 -6.799 34.298 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -1.879 -8.337 31.826 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -0.938 -8.970 33.162 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -3.611 -9.340 33.036 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -2.792 -9.143 34.572 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -4.676 -7.273 33.250 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -4.099 -7.238 34.904 1.00 0.00 H new ATOM 1557 N LEU A 49 0.450 -5.485 32.843 1.00 0.00 N ATOM 1558 CA LEU A 49 1.401 -4.787 31.939 1.00 0.00 C ATOM 1559 C LEU A 49 2.087 -5.844 31.073 1.00 0.00 C ATOM 1560 O LEU A 49 2.802 -5.538 30.139 1.00 0.00 O ATOM 1561 CB LEU A 49 2.440 -4.034 32.771 1.00 0.00 C ATOM 1562 CG LEU A 49 1.732 -3.058 33.718 1.00 0.00 C ATOM 1563 CD1 LEU A 49 2.763 -2.448 34.669 1.00 0.00 C ATOM 1564 CD2 LEU A 49 1.043 -1.940 32.918 1.00 0.00 C ATOM 0 H LEU A 49 0.656 -5.395 33.838 1.00 0.00 H new ATOM 0 HA LEU A 49 0.876 -4.068 31.309 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.043 -4.739 33.343 1.00 0.00 H new ATOM 0 HB3 LEU A 49 3.121 -3.491 32.116 1.00 0.00 H new ATOM 0 HG LEU A 49 0.974 -3.597 34.287 1.00 0.00 H new ATOM 0 HD11 LEU A 49 2.267 -1.752 35.346 1.00 0.00 H new ATOM 0 HD12 LEU A 49 3.238 -3.240 35.247 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.520 -1.916 34.093 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.545 -1.255 33.604 1.00 0.00 H new ATOM 0 HD22 LEU A 49 1.788 -1.395 32.339 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.307 -2.376 32.243 1.00 0.00 H new ATOM 1576 N SER A 50 1.880 -7.094 31.394 1.00 0.00 N ATOM 1577 CA SER A 50 2.521 -8.190 30.614 1.00 0.00 C ATOM 1578 C SER A 50 2.142 -8.055 29.139 1.00 0.00 C ATOM 1579 O SER A 50 2.682 -8.733 28.286 1.00 0.00 O ATOM 1580 CB SER A 50 2.045 -9.544 31.148 1.00 0.00 C ATOM 1581 OG SER A 50 2.653 -10.586 30.397 1.00 0.00 O ATOM 0 H SER A 50 1.291 -7.403 32.167 1.00 0.00 H new ATOM 0 HA SER A 50 3.604 -8.124 30.715 1.00 0.00 H new ATOM 0 HB2 SER A 50 2.302 -9.643 32.203 1.00 0.00 H new ATOM 0 HB3 SER A 50 0.960 -9.615 31.077 1.00 0.00 H new ATOM 0 HG SER A 50 2.819 -10.276 29.482 1.00 0.00 H new ATOM 1587 N LEU A 51 1.225 -7.180 28.825 1.00 0.00 N ATOM 1588 CA LEU A 51 0.829 -7.004 27.396 1.00 0.00 C ATOM 1589 C LEU A 51 1.950 -6.267 26.655 1.00 0.00 C ATOM 1590 O LEU A 51 2.280 -6.582 25.528 1.00 0.00 O ATOM 1591 CB LEU A 51 -0.426 -6.132 27.318 1.00 0.00 C ATOM 1592 CG LEU A 51 -1.588 -6.779 28.082 1.00 0.00 C ATOM 1593 CD1 LEU A 51 -2.659 -5.720 28.360 1.00 0.00 C ATOM 1594 CD2 LEU A 51 -2.212 -7.906 27.248 1.00 0.00 C ATOM 0 H LEU A 51 0.735 -6.582 29.491 1.00 0.00 H new ATOM 0 HA LEU A 51 0.644 -7.982 26.953 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.216 -5.146 27.734 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.708 -5.985 26.275 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.209 -7.191 29.017 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -3.488 -6.174 28.903 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.230 -4.917 28.959 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.023 -5.314 27.416 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.035 -8.356 27.803 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.587 -7.499 26.309 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.458 -8.665 27.039 1.00 0.00 H new ATOM 1606 N LYS A 52 2.523 -5.276 27.282 1.00 0.00 N ATOM 1607 CA LYS A 52 3.613 -4.483 26.636 1.00 0.00 C ATOM 1608 C LYS A 52 4.729 -5.425 26.153 1.00 0.00 C ATOM 1609 O LYS A 52 4.806 -6.568 26.558 1.00 0.00 O ATOM 1610 CB LYS A 52 4.146 -3.468 27.662 1.00 0.00 C ATOM 1611 CG LYS A 52 5.275 -2.600 27.083 1.00 0.00 C ATOM 1612 CD LYS A 52 4.775 -1.810 25.864 1.00 0.00 C ATOM 1613 CE LYS A 52 5.723 -0.643 25.568 1.00 0.00 C ATOM 1614 NZ LYS A 52 5.534 -0.197 24.159 1.00 0.00 N ATOM 0 H LYS A 52 2.280 -4.977 28.226 1.00 0.00 H new ATOM 0 HA LYS A 52 3.233 -3.947 25.766 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.330 -2.826 27.994 1.00 0.00 H new ATOM 0 HB3 LYS A 52 4.512 -3.999 28.541 1.00 0.00 H new ATOM 0 HG2 LYS A 52 5.640 -1.912 27.845 1.00 0.00 H new ATOM 0 HG3 LYS A 52 6.116 -3.231 26.795 1.00 0.00 H new ATOM 0 HD2 LYS A 52 4.712 -2.467 24.996 1.00 0.00 H new ATOM 0 HD3 LYS A 52 3.770 -1.433 26.052 1.00 0.00 H new ATOM 0 HE2 LYS A 52 5.526 0.183 26.252 1.00 0.00 H new ATOM 0 HE3 LYS A 52 6.757 -0.950 25.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 6.177 0.595 23.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 5.743 -0.986 23.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 4.550 0.112 24.021 1.00 0.00 H new ATOM 1628 N THR A 53 5.606 -4.945 25.307 1.00 0.00 N ATOM 1629 CA THR A 53 6.734 -5.785 24.807 1.00 0.00 C ATOM 1630 C THR A 53 7.931 -4.879 24.499 1.00 0.00 C ATOM 1631 O THR A 53 7.813 -3.670 24.483 1.00 0.00 O ATOM 1632 CB THR A 53 6.311 -6.515 23.530 1.00 0.00 C ATOM 1633 OG1 THR A 53 7.466 -6.948 22.828 1.00 0.00 O ATOM 1634 CG2 THR A 53 5.492 -5.572 22.645 1.00 0.00 C ATOM 0 H THR A 53 5.587 -3.994 24.938 1.00 0.00 H new ATOM 0 HA THR A 53 7.006 -6.519 25.566 1.00 0.00 H new ATOM 0 HB THR A 53 5.702 -7.380 23.792 1.00 0.00 H new ATOM 0 HG1 THR A 53 7.308 -6.877 21.863 1.00 0.00 H new ATOM 0 HG21 THR A 53 5.192 -6.094 21.737 1.00 0.00 H new ATOM 0 HG22 THR A 53 4.604 -5.245 23.186 1.00 0.00 H new ATOM 0 HG23 THR A 53 6.096 -4.704 22.382 1.00 0.00 H new ATOM 1642 N ASP A 54 9.080 -5.447 24.243 1.00 0.00 N ATOM 1643 CA ASP A 54 10.276 -4.608 23.924 1.00 0.00 C ATOM 1644 C ASP A 54 10.367 -4.448 22.406 1.00 0.00 C ATOM 1645 O ASP A 54 11.251 -3.794 21.889 1.00 0.00 O ATOM 1646 CB ASP A 54 11.544 -5.296 24.440 1.00 0.00 C ATOM 1647 CG ASP A 54 11.637 -5.138 25.960 1.00 0.00 C ATOM 1648 OD1 ASP A 54 11.153 -4.137 26.463 1.00 0.00 O ATOM 1649 OD2 ASP A 54 12.198 -6.016 26.593 1.00 0.00 O ATOM 0 H ASP A 54 9.243 -6.454 24.241 1.00 0.00 H new ATOM 0 HA ASP A 54 10.182 -3.632 24.401 1.00 0.00 H new ATOM 0 HB2 ASP A 54 11.529 -6.353 24.175 1.00 0.00 H new ATOM 0 HB3 ASP A 54 12.424 -4.861 23.965 1.00 0.00 H new ATOM 1654 N VAL A 55 9.438 -5.036 21.699 1.00 0.00 N ATOM 1655 CA VAL A 55 9.414 -4.936 20.208 1.00 0.00 C ATOM 1656 C VAL A 55 8.095 -4.273 19.798 1.00 0.00 C ATOM 1657 O VAL A 55 7.055 -4.570 20.353 1.00 0.00 O ATOM 1658 CB VAL A 55 9.492 -6.341 19.606 1.00 0.00 C ATOM 1659 CG1 VAL A 55 9.578 -6.242 18.083 1.00 0.00 C ATOM 1660 CG2 VAL A 55 10.735 -7.057 20.140 1.00 0.00 C ATOM 0 H VAL A 55 8.681 -5.591 22.098 1.00 0.00 H new ATOM 0 HA VAL A 55 10.259 -4.348 19.850 1.00 0.00 H new ATOM 0 HB VAL A 55 8.600 -6.903 19.883 1.00 0.00 H new ATOM 0 HG11 VAL A 55 9.634 -7.243 17.656 1.00 0.00 H new ATOM 0 HG12 VAL A 55 8.693 -5.733 17.701 1.00 0.00 H new ATOM 0 HG13 VAL A 55 10.469 -5.679 17.805 1.00 0.00 H new ATOM 0 HG21 VAL A 55 10.791 -8.058 19.711 1.00 0.00 H new ATOM 0 HG22 VAL A 55 11.626 -6.494 19.864 1.00 0.00 H new ATOM 0 HG23 VAL A 55 10.674 -7.130 21.226 1.00 0.00 H new ATOM 1670 N ILE A 56 8.126 -3.376 18.843 1.00 0.00 N ATOM 1671 CA ILE A 56 6.870 -2.685 18.401 1.00 0.00 C ATOM 1672 C ILE A 56 6.685 -2.888 16.897 1.00 0.00 C ATOM 1673 O ILE A 56 7.616 -2.770 16.125 1.00 0.00 O ATOM 1674 CB ILE A 56 6.973 -1.186 18.691 1.00 0.00 C ATOM 1675 CG1 ILE A 56 7.197 -0.968 20.189 1.00 0.00 C ATOM 1676 CG2 ILE A 56 5.668 -0.504 18.268 1.00 0.00 C ATOM 1677 CD1 ILE A 56 7.483 0.512 20.452 1.00 0.00 C ATOM 0 H ILE A 56 8.970 -3.090 18.347 1.00 0.00 H new ATOM 0 HA ILE A 56 6.021 -3.103 18.942 1.00 0.00 H new ATOM 0 HB ILE A 56 7.809 -0.762 18.135 1.00 0.00 H new ATOM 0 HG12 ILE A 56 6.317 -1.284 20.749 1.00 0.00 H new ATOM 0 HG13 ILE A 56 8.031 -1.578 20.535 1.00 0.00 H new ATOM 0 HG21 ILE A 56 5.733 0.565 18.472 1.00 0.00 H new ATOM 0 HG22 ILE A 56 5.504 -0.661 17.202 1.00 0.00 H new ATOM 0 HG23 ILE A 56 4.836 -0.930 18.829 1.00 0.00 H new ATOM 0 HD11 ILE A 56 7.643 0.668 21.519 1.00 0.00 H new ATOM 0 HD12 ILE A 56 8.376 0.813 19.904 1.00 0.00 H new ATOM 0 HD13 ILE A 56 6.635 1.111 20.121 1.00 0.00 H new ATOM 1689 N LYS A 57 5.487 -3.191 16.472 1.00 0.00 N ATOM 1690 CA LYS A 57 5.241 -3.401 15.016 1.00 0.00 C ATOM 1691 C LYS A 57 4.980 -2.051 14.341 1.00 0.00 C ATOM 1692 O LYS A 57 4.250 -1.222 14.846 1.00 0.00 O ATOM 1693 CB LYS A 57 4.029 -4.314 14.827 1.00 0.00 C ATOM 1694 CG LYS A 57 3.862 -4.642 13.339 1.00 0.00 C ATOM 1695 CD LYS A 57 2.612 -5.504 13.127 1.00 0.00 C ATOM 1696 CE LYS A 57 2.770 -6.853 13.837 1.00 0.00 C ATOM 1697 NZ LYS A 57 1.830 -7.840 13.234 1.00 0.00 N ATOM 0 H LYS A 57 4.669 -3.302 17.070 1.00 0.00 H new ATOM 0 HA LYS A 57 6.116 -3.867 14.564 1.00 0.00 H new ATOM 0 HB2 LYS A 57 4.159 -5.232 15.400 1.00 0.00 H new ATOM 0 HB3 LYS A 57 3.131 -3.826 15.206 1.00 0.00 H new ATOM 0 HG2 LYS A 57 3.780 -3.721 12.762 1.00 0.00 H new ATOM 0 HG3 LYS A 57 4.743 -5.169 12.974 1.00 0.00 H new ATOM 0 HD2 LYS A 57 1.734 -4.984 13.510 1.00 0.00 H new ATOM 0 HD3 LYS A 57 2.448 -5.663 12.061 1.00 0.00 H new ATOM 0 HE2 LYS A 57 3.797 -7.208 13.744 1.00 0.00 H new ATOM 0 HE3 LYS A 57 2.566 -6.743 14.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 1.935 -8.757 13.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 0.853 -7.501 13.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 2.046 -7.952 12.223 1.00 0.00 H new ATOM 1711 N LYS A 58 5.565 -1.837 13.194 1.00 0.00 N ATOM 1712 CA LYS A 58 5.350 -0.553 12.465 1.00 0.00 C ATOM 1713 C LYS A 58 4.143 -0.697 11.535 1.00 0.00 C ATOM 1714 O LYS A 58 4.026 -1.659 10.802 1.00 0.00 O ATOM 1715 CB LYS A 58 6.594 -0.224 11.637 1.00 0.00 C ATOM 1716 CG LYS A 58 7.749 0.131 12.578 1.00 0.00 C ATOM 1717 CD LYS A 58 9.030 0.379 11.772 1.00 0.00 C ATOM 1718 CE LYS A 58 8.952 1.726 11.044 1.00 0.00 C ATOM 1719 NZ LYS A 58 10.309 2.105 10.560 1.00 0.00 N ATOM 0 H LYS A 58 6.186 -2.499 12.728 1.00 0.00 H new ATOM 0 HA LYS A 58 5.167 0.249 13.181 1.00 0.00 H new ATOM 0 HB2 LYS A 58 6.866 -1.076 11.014 1.00 0.00 H new ATOM 0 HB3 LYS A 58 6.388 0.609 10.965 1.00 0.00 H new ATOM 0 HG2 LYS A 58 7.497 1.020 13.157 1.00 0.00 H new ATOM 0 HG3 LYS A 58 7.910 -0.678 13.290 1.00 0.00 H new ATOM 0 HD2 LYS A 58 9.893 0.368 12.437 1.00 0.00 H new ATOM 0 HD3 LYS A 58 9.174 -0.424 11.049 1.00 0.00 H new ATOM 0 HE2 LYS A 58 8.260 1.659 10.205 1.00 0.00 H new ATOM 0 HE3 LYS A 58 8.566 2.493 11.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 10.259 3.019 10.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 10.957 2.185 11.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 10.660 1.377 9.906 1.00 0.00 H new ATOM 1733 N ARG A 59 3.239 0.247 11.557 1.00 0.00 N ATOM 1734 CA ARG A 59 2.037 0.158 10.675 1.00 0.00 C ATOM 1735 C ARG A 59 2.289 0.961 9.400 1.00 0.00 C ATOM 1736 O ARG A 59 3.350 1.522 9.206 1.00 0.00 O ATOM 1737 CB ARG A 59 0.824 0.757 11.386 1.00 0.00 C ATOM 1738 CG ARG A 59 0.417 -0.122 12.569 1.00 0.00 C ATOM 1739 CD ARG A 59 -0.795 0.508 13.254 1.00 0.00 C ATOM 1740 NE ARG A 59 -1.905 0.618 12.267 1.00 0.00 N ATOM 1741 CZ ARG A 59 -3.124 0.840 12.670 1.00 0.00 C ATOM 1742 NH1 ARG A 59 -3.374 0.993 13.942 1.00 0.00 N ATOM 1743 NH2 ARG A 59 -4.093 0.916 11.800 1.00 0.00 N ATOM 0 H ARG A 59 3.281 1.077 12.148 1.00 0.00 H new ATOM 0 HA ARG A 59 1.848 -0.889 10.438 1.00 0.00 H new ATOM 0 HB2 ARG A 59 1.058 1.763 11.735 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -0.008 0.847 10.688 1.00 0.00 H new ATOM 0 HG2 ARG A 59 0.177 -1.129 12.227 1.00 0.00 H new ATOM 0 HG3 ARG A 59 1.244 -0.214 13.273 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -1.105 -0.100 14.104 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -0.538 1.493 13.643 1.00 0.00 H new ATOM 0 HE ARG A 59 -1.710 0.519 11.271 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -2.615 0.939 14.621 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -4.328 1.167 14.257 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -3.896 0.802 10.806 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -5.048 1.090 12.114 1.00 0.00 H new ATOM 1757 N ASN A 60 1.332 0.999 8.515 1.00 0.00 N ATOM 1758 CA ASN A 60 1.525 1.739 7.240 1.00 0.00 C ATOM 1759 C ASN A 60 1.403 3.243 7.492 1.00 0.00 C ATOM 1760 O ASN A 60 1.365 3.693 8.620 1.00 0.00 O ATOM 1761 CB ASN A 60 0.469 1.286 6.226 1.00 0.00 C ATOM 1762 CG ASN A 60 -0.911 1.808 6.635 1.00 0.00 C ATOM 1763 OD1 ASN A 60 -1.129 2.156 7.778 1.00 0.00 O ATOM 1764 ND2 ASN A 60 -1.859 1.877 5.740 1.00 0.00 N ATOM 0 H ASN A 60 0.423 0.548 8.621 1.00 0.00 H new ATOM 0 HA ASN A 60 2.518 1.529 6.842 1.00 0.00 H new ATOM 0 HB2 ASN A 60 0.726 1.654 5.233 1.00 0.00 H new ATOM 0 HB3 ASN A 60 0.452 0.198 6.168 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -2.782 2.223 6.001 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -1.676 1.585 4.780 1.00 0.00 H new