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 157:sc= 1.92 USER MOD Set 1.2: A 15 CYS SG : rot -60:sc= -0.141! USER MOD Set 1.3: A 17 THR OG1 : rot 98:sc= -1.07! USER MOD Set 1.4: A 33 CYS SG : rot -135:sc= 1.36 USER MOD Set 1.5: A 36 CYS SG : rot 146:sc= -2.12! USER MOD Set 1.6: A 52 LYS NZ :NH3+ -155:sc= -2.88! (180deg=-5.05!) USER MOD Set 2.1: A 20 THR OG1 : rot -116:sc= -0.127 USER MOD Set 2.2: A 34 ASN : amide:sc= -9.27! C(o=-9.4!,f=-18!) USER MOD Single : A 11 THR OG1 : rot 27:sc= 0.15 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -3.9! C(o=-3.9!,f=-4.1!) USER MOD Single : A 18 GLN : amide:sc= -0.0134 K(o=-0.013,f=-1.5!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -2.17 K(o=-2.2,f=-1.3) USER MOD Single : A 30 GLN : amide:sc= -2.75! K(o=-2.8!,f=-1.8) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HE2:sc= -10.9! C(o=-11!,f=-12!) USER MOD Single : A 50 SER OG : rot -42:sc= 0.0364 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.00157 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= -0.353 K(o=-0.35,f=-5.2!) USER MOD ----------------------------------------------------------------- ATOM 970 N THR A 11 11.545 7.245 31.174 1.00 0.00 N ATOM 971 CA THR A 11 11.188 5.793 31.218 1.00 0.00 C ATOM 972 C THR A 11 9.702 5.654 31.569 1.00 0.00 C ATOM 973 O THR A 11 9.186 6.372 32.402 1.00 0.00 O ATOM 974 CB THR A 11 12.044 5.115 32.292 1.00 0.00 C ATOM 975 OG1 THR A 11 13.418 5.298 31.978 1.00 0.00 O ATOM 976 CG2 THR A 11 11.731 3.619 32.351 1.00 0.00 C ATOM 0 HA THR A 11 11.372 5.324 30.252 1.00 0.00 H new ATOM 0 HB THR A 11 11.821 5.561 33.261 1.00 0.00 H new ATOM 0 HG1 THR A 11 13.526 6.114 31.446 1.00 0.00 H new ATOM 0 HG21 THR A 11 12.346 3.149 33.118 1.00 0.00 H new ATOM 0 HG22 THR A 11 10.678 3.477 32.593 1.00 0.00 H new ATOM 0 HG23 THR A 11 11.946 3.164 31.384 1.00 0.00 H new ATOM 984 N CYS A 12 9.001 4.748 30.938 1.00 0.00 N ATOM 985 CA CYS A 12 7.549 4.597 31.248 1.00 0.00 C ATOM 986 C CYS A 12 7.371 3.994 32.642 1.00 0.00 C ATOM 987 O CYS A 12 7.659 2.837 32.880 1.00 0.00 O ATOM 988 CB CYS A 12 6.873 3.705 30.212 1.00 0.00 C ATOM 989 SG CYS A 12 5.087 3.980 30.299 1.00 0.00 S ATOM 0 H CYS A 12 9.367 4.112 30.229 1.00 0.00 H new ATOM 0 HA CYS A 12 7.085 5.583 31.220 1.00 0.00 H new ATOM 0 HB2 CYS A 12 7.244 3.936 29.213 1.00 0.00 H new ATOM 0 HB3 CYS A 12 7.105 2.658 30.404 1.00 0.00 H new ATOM 0 HG CYS A 12 4.540 3.638 29.171 1.00 0.00 H new ATOM 994 N THR A 13 6.890 4.784 33.559 1.00 0.00 N ATOM 995 CA THR A 13 6.688 4.299 34.951 1.00 0.00 C ATOM 996 C THR A 13 5.589 3.233 35.001 1.00 0.00 C ATOM 997 O THR A 13 5.420 2.569 36.004 1.00 0.00 O ATOM 998 CB THR A 13 6.303 5.484 35.842 1.00 0.00 C ATOM 999 OG1 THR A 13 5.090 6.057 35.372 1.00 0.00 O ATOM 1000 CG2 THR A 13 7.417 6.534 35.806 1.00 0.00 C ATOM 0 H THR A 13 6.625 5.756 33.401 1.00 0.00 H new ATOM 0 HA THR A 13 7.615 3.850 35.308 1.00 0.00 H new ATOM 0 HB THR A 13 6.166 5.139 36.867 1.00 0.00 H new ATOM 0 HG1 THR A 13 4.843 6.814 35.943 1.00 0.00 H new ATOM 0 HG21 THR A 13 7.143 7.377 36.440 1.00 0.00 H new ATOM 0 HG22 THR A 13 8.345 6.093 36.170 1.00 0.00 H new ATOM 0 HG23 THR A 13 7.557 6.881 34.782 1.00 0.00 H new ATOM 1008 N ASN A 14 4.836 3.055 33.940 1.00 0.00 N ATOM 1009 CA ASN A 14 3.751 2.025 33.957 1.00 0.00 C ATOM 1010 C ASN A 14 4.213 0.735 33.268 1.00 0.00 C ATOM 1011 O ASN A 14 3.777 -0.337 33.633 1.00 0.00 O ATOM 1012 CB ASN A 14 2.514 2.560 33.229 1.00 0.00 C ATOM 1013 CG ASN A 14 1.808 3.603 34.097 1.00 0.00 C ATOM 1014 OD1 ASN A 14 2.088 3.724 35.274 1.00 0.00 O ATOM 1015 ND2 ASN A 14 0.884 4.355 33.566 1.00 0.00 N ATOM 0 H ASN A 14 4.926 3.576 33.068 1.00 0.00 H new ATOM 0 HA ASN A 14 3.508 1.807 34.997 1.00 0.00 H new ATOM 0 HB2 ASN A 14 2.805 3.004 32.277 1.00 0.00 H new ATOM 0 HB3 ASN A 14 1.832 1.740 33.003 1.00 0.00 H new ATOM 0 HD21 ASN A 14 0.396 5.044 34.138 1.00 0.00 H new ATOM 0 HD22 ASN A 14 0.649 4.254 32.579 1.00 0.00 H new ATOM 1022 N CYS A 15 5.063 0.811 32.267 1.00 0.00 N ATOM 1023 CA CYS A 15 5.502 -0.445 31.568 1.00 0.00 C ATOM 1024 C CYS A 15 7.010 -0.409 31.287 1.00 0.00 C ATOM 1025 O CYS A 15 7.521 -1.210 30.530 1.00 0.00 O ATOM 1026 CB CYS A 15 4.721 -0.607 30.256 1.00 0.00 C ATOM 1027 SG CYS A 15 5.371 0.507 28.987 1.00 0.00 S ATOM 0 H CYS A 15 5.467 1.676 31.907 1.00 0.00 H new ATOM 0 HA CYS A 15 5.296 -1.297 32.215 1.00 0.00 H new ATOM 0 HB2 CYS A 15 4.789 -1.639 29.911 1.00 0.00 H new ATOM 0 HB3 CYS A 15 3.665 -0.396 30.426 1.00 0.00 H new ATOM 0 HG CYS A 15 5.270 1.737 29.396 1.00 0.00 H new ATOM 1032 N PHE A 16 7.725 0.494 31.904 1.00 0.00 N ATOM 1033 CA PHE A 16 9.208 0.580 31.709 1.00 0.00 C ATOM 1034 C PHE A 16 9.574 0.809 30.239 1.00 0.00 C ATOM 1035 O PHE A 16 10.738 0.871 29.897 1.00 0.00 O ATOM 1036 CB PHE A 16 9.883 -0.711 32.187 1.00 0.00 C ATOM 1037 CG PHE A 16 9.467 -1.013 33.605 1.00 0.00 C ATOM 1038 CD1 PHE A 16 10.147 -0.431 34.684 1.00 0.00 C ATOM 1039 CD2 PHE A 16 8.397 -1.881 33.839 1.00 0.00 C ATOM 1040 CE1 PHE A 16 9.751 -0.719 35.995 1.00 0.00 C ATOM 1041 CE2 PHE A 16 8.000 -2.168 35.149 1.00 0.00 C ATOM 1042 CZ PHE A 16 8.676 -1.587 36.228 1.00 0.00 C ATOM 0 H PHE A 16 7.341 1.188 32.545 1.00 0.00 H new ATOM 0 HA PHE A 16 9.560 1.429 32.295 1.00 0.00 H new ATOM 0 HB2 PHE A 16 9.608 -1.539 31.534 1.00 0.00 H new ATOM 0 HB3 PHE A 16 10.967 -0.607 32.131 1.00 0.00 H new ATOM 0 HD1 PHE A 16 10.975 0.238 34.504 1.00 0.00 H new ATOM 0 HD2 PHE A 16 7.876 -2.331 33.007 1.00 0.00 H new ATOM 0 HE1 PHE A 16 10.274 -0.272 36.827 1.00 0.00 H new ATOM 0 HE2 PHE A 16 7.172 -2.838 35.328 1.00 0.00 H new ATOM 0 HZ PHE A 16 8.369 -1.808 37.240 1.00 0.00 H new ATOM 1052 N THR A 17 8.619 0.913 29.354 1.00 0.00 N ATOM 1053 CA THR A 17 8.981 1.106 27.918 1.00 0.00 C ATOM 1054 C THR A 17 9.902 2.320 27.778 1.00 0.00 C ATOM 1055 O THR A 17 9.577 3.409 28.200 1.00 0.00 O ATOM 1056 CB THR A 17 7.705 1.330 27.091 1.00 0.00 C ATOM 1057 OG1 THR A 17 7.020 0.098 26.943 1.00 0.00 O ATOM 1058 CG2 THR A 17 8.048 1.881 25.702 1.00 0.00 C ATOM 0 H THR A 17 7.620 0.874 29.557 1.00 0.00 H new ATOM 0 HA THR A 17 9.497 0.218 27.554 1.00 0.00 H new ATOM 0 HB THR A 17 7.076 2.052 27.611 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.305 0.039 27.611 1.00 0.00 H new ATOM 0 HG21 THR A 17 7.130 2.032 25.134 1.00 0.00 H new ATOM 0 HG22 THR A 17 8.571 2.832 25.807 1.00 0.00 H new ATOM 0 HG23 THR A 17 8.687 1.171 25.177 1.00 0.00 H new ATOM 1066 N GLN A 18 11.048 2.126 27.176 1.00 0.00 N ATOM 1067 CA GLN A 18 12.016 3.245 26.976 1.00 0.00 C ATOM 1068 C GLN A 18 11.959 3.696 25.515 1.00 0.00 C ATOM 1069 O GLN A 18 12.494 4.724 25.150 1.00 0.00 O ATOM 1070 CB GLN A 18 13.427 2.754 27.308 1.00 0.00 C ATOM 1071 CG GLN A 18 13.790 1.577 26.395 1.00 0.00 C ATOM 1072 CD GLN A 18 15.158 1.022 26.799 1.00 0.00 C ATOM 1073 OE1 GLN A 18 15.576 1.168 27.929 1.00 0.00 O ATOM 1074 NE2 GLN A 18 15.874 0.379 25.917 1.00 0.00 N ATOM 0 H GLN A 18 11.358 1.226 26.810 1.00 0.00 H new ATOM 0 HA GLN A 18 11.761 4.081 27.627 1.00 0.00 H new ATOM 0 HB2 GLN A 18 14.145 3.564 27.177 1.00 0.00 H new ATOM 0 HB3 GLN A 18 13.480 2.447 28.353 1.00 0.00 H new ATOM 0 HG2 GLN A 18 13.032 0.797 26.470 1.00 0.00 H new ATOM 0 HG3 GLN A 18 13.810 1.902 25.355 1.00 0.00 H new ATOM 0 HE21 GLN A 18 15.523 0.256 24.967 1.00 0.00 H new ATOM 0 HE22 GLN A 18 16.784 -0.000 26.178 1.00 0.00 H new ATOM 1083 N THR A 19 11.306 2.925 24.683 1.00 0.00 N ATOM 1084 CA THR A 19 11.186 3.274 23.234 1.00 0.00 C ATOM 1085 C THR A 19 9.710 3.521 22.920 1.00 0.00 C ATOM 1086 O THR A 19 8.852 2.734 23.269 1.00 0.00 O ATOM 1087 CB THR A 19 11.701 2.105 22.385 1.00 0.00 C ATOM 1088 OG1 THR A 19 13.067 1.864 22.693 1.00 0.00 O ATOM 1089 CG2 THR A 19 11.561 2.458 20.903 1.00 0.00 C ATOM 0 H THR A 19 10.844 2.056 24.950 1.00 0.00 H new ATOM 0 HA THR A 19 11.773 4.165 23.009 1.00 0.00 H new ATOM 0 HB THR A 19 11.120 1.209 22.601 1.00 0.00 H new ATOM 0 HG1 THR A 19 13.397 1.116 22.153 1.00 0.00 H new ATOM 0 HG21 THR A 19 11.926 1.630 20.296 1.00 0.00 H new ATOM 0 HG22 THR A 19 10.512 2.644 20.671 1.00 0.00 H new ATOM 0 HG23 THR A 19 12.145 3.352 20.685 1.00 0.00 H new ATOM 1097 N THR A 20 9.398 4.618 22.286 1.00 0.00 N ATOM 1098 CA THR A 20 7.969 4.908 21.985 1.00 0.00 C ATOM 1099 C THR A 20 7.874 6.011 20.924 1.00 0.00 C ATOM 1100 O THR A 20 8.728 6.872 20.850 1.00 0.00 O ATOM 1101 CB THR A 20 7.284 5.372 23.276 1.00 0.00 C ATOM 1102 OG1 THR A 20 6.054 6.011 22.966 1.00 0.00 O ATOM 1103 CG2 THR A 20 8.189 6.355 24.029 1.00 0.00 C ATOM 0 H THR A 20 10.065 5.320 21.966 1.00 0.00 H new ATOM 0 HA THR A 20 7.480 4.012 21.603 1.00 0.00 H new ATOM 0 HB THR A 20 7.095 4.502 23.905 1.00 0.00 H new ATOM 0 HG1 THR A 20 6.097 6.952 23.236 1.00 0.00 H new ATOM 0 HG21 THR A 20 7.693 6.678 24.944 1.00 0.00 H new ATOM 0 HG22 THR A 20 9.130 5.865 24.280 1.00 0.00 H new ATOM 0 HG23 THR A 20 8.388 7.222 23.399 1.00 0.00 H new ATOM 1111 N PRO A 21 6.849 6.000 20.103 1.00 0.00 N ATOM 1112 CA PRO A 21 6.684 7.037 19.047 1.00 0.00 C ATOM 1113 C PRO A 21 6.680 8.446 19.648 1.00 0.00 C ATOM 1114 O PRO A 21 7.154 9.390 19.048 1.00 0.00 O ATOM 1115 CB PRO A 21 5.342 6.700 18.367 1.00 0.00 C ATOM 1116 CG PRO A 21 4.660 5.695 19.250 1.00 0.00 C ATOM 1117 CD PRO A 21 5.751 5.017 20.084 1.00 0.00 C ATOM 0 HA PRO A 21 7.508 7.032 18.333 1.00 0.00 H new ATOM 0 HB2 PRO A 21 4.730 7.594 18.252 1.00 0.00 H new ATOM 0 HB3 PRO A 21 5.504 6.293 17.369 1.00 0.00 H new ATOM 0 HG2 PRO A 21 3.929 6.182 19.895 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.119 4.961 18.653 1.00 0.00 H new ATOM 0 HD2 PRO A 21 5.401 4.791 21.091 1.00 0.00 H new ATOM 0 HD3 PRO A 21 6.067 4.074 19.637 1.00 0.00 H new ATOM 1125 N VAL A 22 6.166 8.588 20.838 1.00 0.00 N ATOM 1126 CA VAL A 22 6.158 9.931 21.482 1.00 0.00 C ATOM 1127 C VAL A 22 5.830 9.772 22.967 1.00 0.00 C ATOM 1128 O VAL A 22 5.204 8.818 23.383 1.00 0.00 O ATOM 1129 CB VAL A 22 5.136 10.844 20.789 1.00 0.00 C ATOM 1130 CG1 VAL A 22 3.774 10.156 20.720 1.00 0.00 C ATOM 1131 CG2 VAL A 22 4.991 12.158 21.562 1.00 0.00 C ATOM 0 H VAL A 22 5.753 7.836 21.390 1.00 0.00 H new ATOM 0 HA VAL A 22 7.140 10.393 21.384 1.00 0.00 H new ATOM 0 HB VAL A 22 5.492 11.051 19.780 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.059 10.814 20.227 1.00 0.00 H new ATOM 0 HG12 VAL A 22 3.863 9.228 20.155 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.427 9.934 21.729 1.00 0.00 H new ATOM 0 HG21 VAL A 22 4.264 12.797 21.061 1.00 0.00 H new ATOM 0 HG22 VAL A 22 4.651 11.948 22.576 1.00 0.00 H new ATOM 0 HG23 VAL A 22 5.955 12.666 21.600 1.00 0.00 H new ATOM 1141 N TRP A 23 6.274 10.696 23.773 1.00 0.00 N ATOM 1142 CA TRP A 23 6.017 10.606 25.240 1.00 0.00 C ATOM 1143 C TRP A 23 4.722 11.340 25.586 1.00 0.00 C ATOM 1144 O TRP A 23 4.492 12.458 25.170 1.00 0.00 O ATOM 1145 CB TRP A 23 7.195 11.225 25.997 1.00 0.00 C ATOM 1146 CG TRP A 23 8.355 10.279 25.969 1.00 0.00 C ATOM 1147 CD1 TRP A 23 9.463 10.421 25.207 1.00 0.00 C ATOM 1148 CD2 TRP A 23 8.530 9.041 26.714 1.00 0.00 C ATOM 1149 NE1 TRP A 23 10.314 9.358 25.448 1.00 0.00 N ATOM 1150 CE2 TRP A 23 9.781 8.479 26.368 1.00 0.00 C ATOM 1151 CE3 TRP A 23 7.733 8.362 27.651 1.00 0.00 C ATOM 1152 CZ2 TRP A 23 10.226 7.283 26.933 1.00 0.00 C ATOM 1153 CZ3 TRP A 23 8.175 7.159 28.219 1.00 0.00 C ATOM 1154 CH2 TRP A 23 9.419 6.621 27.862 1.00 0.00 C ATOM 0 H TRP A 23 6.807 11.514 23.478 1.00 0.00 H new ATOM 0 HA TRP A 23 5.913 9.561 25.530 1.00 0.00 H new ATOM 0 HB2 TRP A 23 7.475 12.175 25.542 1.00 0.00 H new ATOM 0 HB3 TRP A 23 6.909 11.437 27.027 1.00 0.00 H new ATOM 0 HD1 TRP A 23 9.653 11.233 24.521 1.00 0.00 H new ATOM 0 HE1 TRP A 23 11.223 9.239 25.001 1.00 0.00 H new ATOM 0 HE3 TRP A 23 6.774 8.769 27.935 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 11.186 6.873 26.655 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 7.553 6.644 28.936 1.00 0.00 H new ATOM 0 HH2 TRP A 23 9.754 5.695 28.305 1.00 0.00 H new ATOM 1165 N ARG A 24 3.876 10.704 26.352 1.00 0.00 N ATOM 1166 CA ARG A 24 2.580 11.324 26.755 1.00 0.00 C ATOM 1167 C ARG A 24 2.697 11.816 28.197 1.00 0.00 C ATOM 1168 O ARG A 24 3.680 11.568 28.866 1.00 0.00 O ATOM 1169 CB ARG A 24 1.472 10.267 26.688 1.00 0.00 C ATOM 1170 CG ARG A 24 1.158 9.890 25.232 1.00 0.00 C ATOM 1171 CD ARG A 24 0.162 10.883 24.623 1.00 0.00 C ATOM 1172 NE ARG A 24 -0.075 10.543 23.192 1.00 0.00 N ATOM 1173 CZ ARG A 24 -1.138 10.997 22.585 1.00 0.00 C ATOM 1174 NH1 ARG A 24 -2.030 11.677 23.253 1.00 0.00 N ATOM 1175 NH2 ARG A 24 -1.318 10.755 21.315 1.00 0.00 N ATOM 0 H ARG A 24 4.031 9.766 26.721 1.00 0.00 H new ATOM 0 HA ARG A 24 2.345 12.153 26.088 1.00 0.00 H new ATOM 0 HB2 ARG A 24 1.779 9.378 27.240 1.00 0.00 H new ATOM 0 HB3 ARG A 24 0.572 10.647 27.171 1.00 0.00 H new ATOM 0 HG2 ARG A 24 2.077 9.882 24.646 1.00 0.00 H new ATOM 0 HG3 ARG A 24 0.746 8.882 25.192 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -0.778 10.854 25.174 1.00 0.00 H new ATOM 0 HD3 ARG A 24 0.549 11.898 24.706 1.00 0.00 H new ATOM 0 HE ARG A 24 0.591 9.957 22.688 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -1.896 11.853 24.249 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -2.861 12.032 22.779 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -0.628 10.211 20.797 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -2.149 11.110 20.841 1.00 0.00 H new ATOM 1189 N ARG A 25 1.700 12.506 28.684 1.00 0.00 N ATOM 1190 CA ARG A 25 1.738 13.006 30.091 1.00 0.00 C ATOM 1191 C ARG A 25 0.359 12.818 30.727 1.00 0.00 C ATOM 1192 O ARG A 25 -0.631 12.635 30.045 1.00 0.00 O ATOM 1193 CB ARG A 25 2.138 14.484 30.122 1.00 0.00 C ATOM 1194 CG ARG A 25 3.645 14.618 29.874 1.00 0.00 C ATOM 1195 CD ARG A 25 4.072 16.065 30.124 1.00 0.00 C ATOM 1196 NE ARG A 25 3.333 16.965 29.199 1.00 0.00 N ATOM 1197 CZ ARG A 25 3.273 18.247 29.435 1.00 0.00 C ATOM 1198 NH1 ARG A 25 3.869 18.754 30.481 1.00 0.00 N ATOM 1199 NH2 ARG A 25 2.609 19.023 28.623 1.00 0.00 N ATOM 0 H ARG A 25 0.856 12.747 28.165 1.00 0.00 H new ATOM 0 HA ARG A 25 2.480 12.440 30.655 1.00 0.00 H new ATOM 0 HB2 ARG A 25 1.584 15.036 29.363 1.00 0.00 H new ATOM 0 HB3 ARG A 25 1.878 14.921 31.086 1.00 0.00 H new ATOM 0 HG2 ARG A 25 4.195 13.946 30.533 1.00 0.00 H new ATOM 0 HG3 ARG A 25 3.884 14.328 28.851 1.00 0.00 H new ATOM 0 HD2 ARG A 25 3.869 16.342 31.158 1.00 0.00 H new ATOM 0 HD3 ARG A 25 5.146 16.170 29.971 1.00 0.00 H new ATOM 0 HE ARG A 25 2.871 16.578 28.376 1.00 0.00 H new ATOM 0 HH11 ARG A 25 4.385 18.147 31.118 1.00 0.00 H new ATOM 0 HH12 ARG A 25 3.819 19.757 30.660 1.00 0.00 H new ATOM 0 HH21 ARG A 25 2.140 18.627 27.808 1.00 0.00 H new ATOM 0 HH22 ARG A 25 2.559 20.026 28.803 1.00 0.00 H new ATOM 1213 N ASN A 26 0.298 12.837 32.033 1.00 0.00 N ATOM 1214 CA ASN A 26 -0.997 12.634 32.754 1.00 0.00 C ATOM 1215 C ASN A 26 -1.182 13.773 33.772 1.00 0.00 C ATOM 1216 O ASN A 26 -0.211 14.246 34.325 1.00 0.00 O ATOM 1217 CB ASN A 26 -0.903 11.289 33.491 1.00 0.00 C ATOM 1218 CG ASN A 26 -2.296 10.772 33.844 1.00 0.00 C ATOM 1219 OD1 ASN A 26 -2.947 10.145 33.033 1.00 0.00 O ATOM 1220 ND2 ASN A 26 -2.786 11.011 35.031 1.00 0.00 N ATOM 0 H ASN A 26 1.103 12.987 32.641 1.00 0.00 H new ATOM 0 HA ASN A 26 -1.841 12.633 32.064 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -0.386 10.561 32.866 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -0.312 11.406 34.399 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -3.716 10.671 35.277 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -2.239 11.538 35.712 1.00 0.00 H new ATOM 1227 N PRO A 27 -2.397 14.213 34.040 1.00 0.00 N ATOM 1228 CA PRO A 27 -2.649 15.300 35.039 1.00 0.00 C ATOM 1229 C PRO A 27 -1.858 15.128 36.345 1.00 0.00 C ATOM 1230 O PRO A 27 -1.911 15.973 37.216 1.00 0.00 O ATOM 1231 CB PRO A 27 -4.150 15.184 35.317 1.00 0.00 C ATOM 1232 CG PRO A 27 -4.729 14.681 34.040 1.00 0.00 C ATOM 1233 CD PRO A 27 -3.667 13.762 33.424 1.00 0.00 C ATOM 0 HA PRO A 27 -2.334 16.269 34.652 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -4.349 14.498 36.140 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -4.578 16.147 35.594 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -5.657 14.138 34.220 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -4.967 15.506 33.369 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -3.868 12.714 33.648 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -3.639 13.857 32.338 1.00 0.00 H new ATOM 1241 N GLU A 28 -1.113 14.060 36.490 1.00 0.00 N ATOM 1242 CA GLU A 28 -0.315 13.861 37.737 1.00 0.00 C ATOM 1243 C GLU A 28 1.113 14.348 37.486 1.00 0.00 C ATOM 1244 O GLU A 28 1.862 14.615 38.404 1.00 0.00 O ATOM 1245 CB GLU A 28 -0.276 12.373 38.089 1.00 0.00 C ATOM 1246 CG GLU A 28 -1.690 11.875 38.395 1.00 0.00 C ATOM 1247 CD GLU A 28 -1.639 10.386 38.746 1.00 0.00 C ATOM 1248 OE1 GLU A 28 -0.545 9.851 38.814 1.00 0.00 O ATOM 1249 OE2 GLU A 28 -2.695 9.806 38.937 1.00 0.00 O ATOM 0 H GLU A 28 -1.024 13.317 35.797 1.00 0.00 H new ATOM 0 HA GLU A 28 -0.768 14.417 38.557 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.148 11.805 37.261 1.00 0.00 H new ATOM 0 HB3 GLU A 28 0.371 12.211 38.951 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -2.116 12.441 39.224 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -2.338 12.035 37.533 1.00 0.00 H new ATOM 1256 N GLY A 29 1.489 14.468 36.241 1.00 0.00 N ATOM 1257 CA GLY A 29 2.864 14.940 35.901 1.00 0.00 C ATOM 1258 C GLY A 29 3.815 13.750 35.742 1.00 0.00 C ATOM 1259 O GLY A 29 5.012 13.921 35.622 1.00 0.00 O ATOM 0 H GLY A 29 0.897 14.257 35.437 1.00 0.00 H new ATOM 0 HA2 GLY A 29 2.838 15.519 34.978 1.00 0.00 H new ATOM 0 HA3 GLY A 29 3.231 15.604 36.683 1.00 0.00 H new ATOM 1263 N GLN A 30 3.304 12.544 35.734 1.00 0.00 N ATOM 1264 CA GLN A 30 4.200 11.357 35.570 1.00 0.00 C ATOM 1265 C GLN A 30 4.393 11.064 34.070 1.00 0.00 C ATOM 1266 O GLN A 30 3.483 11.258 33.288 1.00 0.00 O ATOM 1267 CB GLN A 30 3.584 10.138 36.265 1.00 0.00 C ATOM 1268 CG GLN A 30 2.207 9.833 35.673 1.00 0.00 C ATOM 1269 CD GLN A 30 1.510 8.774 36.530 1.00 0.00 C ATOM 1270 OE1 GLN A 30 2.140 7.854 37.013 1.00 0.00 O ATOM 1271 NE2 GLN A 30 0.226 8.864 36.742 1.00 0.00 N ATOM 0 H GLN A 30 2.312 12.330 35.833 1.00 0.00 H new ATOM 0 HA GLN A 30 5.168 11.570 36.024 1.00 0.00 H new ATOM 0 HB2 GLN A 30 4.238 9.274 36.147 1.00 0.00 H new ATOM 0 HB3 GLN A 30 3.494 10.327 37.335 1.00 0.00 H new ATOM 0 HG2 GLN A 30 1.605 10.741 35.636 1.00 0.00 H new ATOM 0 HG3 GLN A 30 2.310 9.477 34.648 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -0.305 9.635 36.338 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -0.247 8.163 37.312 1.00 0.00 H new ATOM 1280 N PRO A 31 5.553 10.602 33.655 1.00 0.00 N ATOM 1281 CA PRO A 31 5.828 10.290 32.217 1.00 0.00 C ATOM 1282 C PRO A 31 5.291 8.913 31.798 1.00 0.00 C ATOM 1283 O PRO A 31 5.506 7.922 32.466 1.00 0.00 O ATOM 1284 CB PRO A 31 7.355 10.317 32.161 1.00 0.00 C ATOM 1285 CG PRO A 31 7.761 9.769 33.487 1.00 0.00 C ATOM 1286 CD PRO A 31 6.742 10.322 34.488 1.00 0.00 C ATOM 0 HA PRO A 31 5.342 10.990 31.537 1.00 0.00 H new ATOM 0 HB2 PRO A 31 7.737 9.709 31.341 1.00 0.00 H new ATOM 0 HB3 PRO A 31 7.733 11.328 32.012 1.00 0.00 H new ATOM 0 HG2 PRO A 31 7.753 8.679 33.480 1.00 0.00 H new ATOM 0 HG3 PRO A 31 8.773 10.079 33.746 1.00 0.00 H new ATOM 0 HD2 PRO A 31 6.520 9.600 35.274 1.00 0.00 H new ATOM 0 HD3 PRO A 31 7.110 11.224 34.978 1.00 0.00 H new ATOM 1294 N LEU A 32 4.595 8.856 30.690 1.00 0.00 N ATOM 1295 CA LEU A 32 4.027 7.554 30.210 1.00 0.00 C ATOM 1296 C LEU A 32 4.286 7.385 28.712 1.00 0.00 C ATOM 1297 O LEU A 32 4.344 8.345 27.969 1.00 0.00 O ATOM 1298 CB LEU A 32 2.514 7.548 30.428 1.00 0.00 C ATOM 1299 CG LEU A 32 2.183 7.728 31.912 1.00 0.00 C ATOM 1300 CD1 LEU A 32 0.675 7.937 32.054 1.00 0.00 C ATOM 1301 CD2 LEU A 32 2.602 6.487 32.705 1.00 0.00 C ATOM 0 H LEU A 32 4.394 9.658 30.093 1.00 0.00 H new ATOM 0 HA LEU A 32 4.501 6.744 30.765 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.054 8.348 29.848 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.093 6.610 30.067 1.00 0.00 H new ATOM 0 HG LEU A 32 2.724 8.590 32.303 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.423 8.067 33.107 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.377 8.825 31.497 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.148 7.068 31.660 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.360 6.630 33.758 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.069 5.615 32.325 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.675 6.331 32.597 1.00 0.00 H new ATOM 1313 N CYS A 33 4.408 6.165 28.261 1.00 0.00 N ATOM 1314 CA CYS A 33 4.625 5.923 26.809 1.00 0.00 C ATOM 1315 C CYS A 33 3.295 6.095 26.069 1.00 0.00 C ATOM 1316 O CYS A 33 2.272 6.368 26.666 1.00 0.00 O ATOM 1317 CB CYS A 33 5.182 4.510 26.599 1.00 0.00 C ATOM 1318 SG CYS A 33 3.889 3.264 26.835 1.00 0.00 S ATOM 0 H CYS A 33 4.366 5.325 28.838 1.00 0.00 H new ATOM 0 HA CYS A 33 5.346 6.639 26.415 1.00 0.00 H new ATOM 0 HB2 CYS A 33 5.597 4.424 25.595 1.00 0.00 H new ATOM 0 HB3 CYS A 33 5.999 4.329 27.298 1.00 0.00 H new ATOM 0 HG CYS A 33 4.350 2.294 27.568 1.00 0.00 H new ATOM 1323 N ASN A 34 3.299 5.947 24.772 1.00 0.00 N ATOM 1324 CA ASN A 34 2.039 6.113 23.987 1.00 0.00 C ATOM 1325 C ASN A 34 0.991 5.066 24.391 1.00 0.00 C ATOM 1326 O ASN A 34 -0.167 5.380 24.584 1.00 0.00 O ATOM 1327 CB ASN A 34 2.366 5.970 22.490 1.00 0.00 C ATOM 1328 CG ASN A 34 2.763 7.325 21.903 1.00 0.00 C ATOM 1329 OD1 ASN A 34 3.934 7.630 21.798 1.00 0.00 O ATOM 1330 ND2 ASN A 34 1.827 8.146 21.506 1.00 0.00 N ATOM 0 H ASN A 34 4.124 5.717 24.218 1.00 0.00 H new ATOM 0 HA ASN A 34 1.623 7.099 24.192 1.00 0.00 H new ATOM 0 HB2 ASN A 34 3.178 5.255 22.355 1.00 0.00 H new ATOM 0 HB3 ASN A 34 1.501 5.575 21.958 1.00 0.00 H new ATOM 0 HD21 ASN A 34 2.078 9.050 21.105 1.00 0.00 H new ATOM 0 HD22 ASN A 34 0.846 7.883 21.597 1.00 0.00 H new ATOM 1337 N ALA A 35 1.370 3.822 24.476 1.00 0.00 N ATOM 1338 CA ALA A 35 0.376 2.761 24.815 1.00 0.00 C ATOM 1339 C ALA A 35 -0.252 2.979 26.202 1.00 0.00 C ATOM 1340 O ALA A 35 -1.459 2.990 26.341 1.00 0.00 O ATOM 1341 CB ALA A 35 1.070 1.399 24.755 1.00 0.00 C ATOM 0 H ALA A 35 2.323 3.492 24.326 1.00 0.00 H new ATOM 0 HA ALA A 35 -0.436 2.804 24.089 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.354 0.615 25.001 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.459 1.233 23.751 1.00 0.00 H new ATOM 0 HB3 ALA A 35 1.892 1.378 25.471 1.00 0.00 H new ATOM 1347 N CYS A 36 0.539 3.136 27.232 1.00 0.00 N ATOM 1348 CA CYS A 36 -0.046 3.330 28.597 1.00 0.00 C ATOM 1349 C CYS A 36 -0.922 4.582 28.632 1.00 0.00 C ATOM 1350 O CYS A 36 -1.976 4.594 29.235 1.00 0.00 O ATOM 1351 CB CYS A 36 1.068 3.499 29.628 1.00 0.00 C ATOM 1352 SG CYS A 36 2.001 1.961 29.774 1.00 0.00 S ATOM 0 H CYS A 36 1.558 3.139 27.190 1.00 0.00 H new ATOM 0 HA CYS A 36 -0.647 2.451 28.831 1.00 0.00 H new ATOM 0 HB2 CYS A 36 1.731 4.311 29.331 1.00 0.00 H new ATOM 0 HB3 CYS A 36 0.644 3.771 30.594 1.00 0.00 H new ATOM 0 HG CYS A 36 3.252 2.232 30.003 1.00 0.00 H new ATOM 1357 N GLY A 37 -0.492 5.639 28.009 1.00 0.00 N ATOM 1358 CA GLY A 37 -1.306 6.884 28.032 1.00 0.00 C ATOM 1359 C GLY A 37 -2.609 6.653 27.269 1.00 0.00 C ATOM 1360 O GLY A 37 -3.681 6.993 27.727 1.00 0.00 O ATOM 0 H GLY A 37 0.383 5.697 27.487 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.521 7.172 29.061 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.748 7.705 27.581 1.00 0.00 H new ATOM 1364 N LEU A 38 -2.520 6.082 26.103 1.00 0.00 N ATOM 1365 CA LEU A 38 -3.747 5.829 25.306 1.00 0.00 C ATOM 1366 C LEU A 38 -4.614 4.771 25.994 1.00 0.00 C ATOM 1367 O LEU A 38 -5.806 4.936 26.149 1.00 0.00 O ATOM 1368 CB LEU A 38 -3.330 5.328 23.918 1.00 0.00 C ATOM 1369 CG LEU A 38 -2.668 6.457 23.118 1.00 0.00 C ATOM 1370 CD1 LEU A 38 -2.012 5.862 21.871 1.00 0.00 C ATOM 1371 CD2 LEU A 38 -3.712 7.498 22.685 1.00 0.00 C ATOM 0 H LEU A 38 -1.649 5.779 25.668 1.00 0.00 H new ATOM 0 HA LEU A 38 -4.325 6.749 25.218 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.638 4.492 24.019 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.203 4.957 23.381 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.923 6.946 23.746 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.538 6.657 21.295 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -1.260 5.132 22.169 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.770 5.373 21.259 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.223 8.290 22.119 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -4.466 7.019 22.061 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -4.189 7.924 23.568 1.00 0.00 H new ATOM 1383 N PHE A 39 -4.026 3.675 26.386 1.00 0.00 N ATOM 1384 CA PHE A 39 -4.820 2.592 27.033 1.00 0.00 C ATOM 1385 C PHE A 39 -5.260 2.956 28.455 1.00 0.00 C ATOM 1386 O PHE A 39 -6.407 2.784 28.813 1.00 0.00 O ATOM 1387 CB PHE A 39 -3.975 1.321 27.095 1.00 0.00 C ATOM 1388 CG PHE A 39 -4.819 0.200 27.651 1.00 0.00 C ATOM 1389 CD1 PHE A 39 -4.961 0.047 29.035 1.00 0.00 C ATOM 1390 CD2 PHE A 39 -5.473 -0.676 26.780 1.00 0.00 C ATOM 1391 CE1 PHE A 39 -5.755 -0.988 29.548 1.00 0.00 C ATOM 1392 CE2 PHE A 39 -6.267 -1.708 27.291 1.00 0.00 C ATOM 1393 CZ PHE A 39 -6.410 -1.865 28.673 1.00 0.00 C ATOM 0 H PHE A 39 -3.029 3.482 26.286 1.00 0.00 H new ATOM 0 HA PHE A 39 -5.717 2.444 26.432 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -3.611 1.061 26.101 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -3.099 1.481 27.724 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -4.459 0.726 29.708 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -5.365 -0.556 25.712 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -5.862 -1.109 30.616 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -6.771 -2.385 26.617 1.00 0.00 H new ATOM 0 HZ PHE A 39 -7.025 -2.661 29.066 1.00 0.00 H new ATOM 1403 N LEU A 40 -4.359 3.405 29.286 1.00 0.00 N ATOM 1404 CA LEU A 40 -4.744 3.712 30.695 1.00 0.00 C ATOM 1405 C LEU A 40 -5.830 4.792 30.741 1.00 0.00 C ATOM 1406 O LEU A 40 -6.835 4.636 31.408 1.00 0.00 O ATOM 1407 CB LEU A 40 -3.506 4.184 31.472 1.00 0.00 C ATOM 1408 CG LEU A 40 -3.761 4.098 32.987 1.00 0.00 C ATOM 1409 CD1 LEU A 40 -3.650 2.643 33.469 1.00 0.00 C ATOM 1410 CD2 LEU A 40 -2.723 4.948 33.730 1.00 0.00 C ATOM 0 H LEU A 40 -3.380 3.572 29.054 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.143 2.807 31.153 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.645 3.570 31.206 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -3.264 5.210 31.195 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.766 4.468 33.192 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.833 2.600 34.543 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.388 2.031 32.950 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.650 2.264 33.256 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.904 4.887 34.803 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.723 4.576 33.509 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.804 5.986 33.407 1.00 0.00 H new ATOM 1422 N LYS A 41 -5.641 5.886 30.056 1.00 0.00 N ATOM 1423 CA LYS A 41 -6.669 6.966 30.086 1.00 0.00 C ATOM 1424 C LYS A 41 -7.991 6.463 29.490 1.00 0.00 C ATOM 1425 O LYS A 41 -9.054 6.718 30.021 1.00 0.00 O ATOM 1426 CB LYS A 41 -6.161 8.172 29.289 1.00 0.00 C ATOM 1427 CG LYS A 41 -7.129 9.345 29.468 1.00 0.00 C ATOM 1428 CD LYS A 41 -6.686 10.533 28.604 1.00 0.00 C ATOM 1429 CE LYS A 41 -5.414 11.174 29.173 1.00 0.00 C ATOM 1430 NZ LYS A 41 -5.309 12.576 28.677 1.00 0.00 N ATOM 0 H LYS A 41 -4.823 6.079 29.479 1.00 0.00 H new ATOM 0 HA LYS A 41 -6.847 7.261 31.120 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -5.165 8.453 29.630 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -6.076 7.914 28.233 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -8.138 9.040 29.190 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.163 9.641 30.516 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -6.505 10.198 27.583 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -7.484 11.274 28.560 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -5.442 11.162 30.263 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -4.537 10.602 28.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -4.448 13.016 29.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -5.264 12.574 27.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -6.141 13.117 28.987 1.00 0.00 H new ATOM 1444 N LEU A 42 -7.939 5.762 28.389 1.00 0.00 N ATOM 1445 CA LEU A 42 -9.201 5.264 27.765 1.00 0.00 C ATOM 1446 C LEU A 42 -9.838 4.169 28.620 1.00 0.00 C ATOM 1447 O LEU A 42 -11.045 4.097 28.746 1.00 0.00 O ATOM 1448 CB LEU A 42 -8.906 4.691 26.374 1.00 0.00 C ATOM 1449 CG LEU A 42 -8.547 5.811 25.389 1.00 0.00 C ATOM 1450 CD1 LEU A 42 -8.061 5.182 24.078 1.00 0.00 C ATOM 1451 CD2 LEU A 42 -9.778 6.688 25.100 1.00 0.00 C ATOM 0 H LEU A 42 -7.082 5.513 27.896 1.00 0.00 H new ATOM 0 HA LEU A 42 -9.891 6.105 27.687 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -8.084 3.978 26.436 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -9.775 4.144 26.009 1.00 0.00 H new ATOM 0 HG LEU A 42 -7.766 6.433 25.826 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -7.803 5.970 23.370 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -7.182 4.567 24.273 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -8.852 4.561 23.657 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -9.506 7.478 24.400 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -10.568 6.075 24.666 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -10.133 7.134 26.029 1.00 0.00 H new ATOM 1463 N HIS A 43 -9.053 3.292 29.177 1.00 0.00 N ATOM 1464 CA HIS A 43 -9.637 2.181 29.981 1.00 0.00 C ATOM 1465 C HIS A 43 -9.921 2.627 31.419 1.00 0.00 C ATOM 1466 O HIS A 43 -10.955 2.307 31.969 1.00 0.00 O ATOM 1467 CB HIS A 43 -8.654 1.012 29.977 1.00 0.00 C ATOM 1468 CG HIS A 43 -8.670 0.357 28.623 1.00 0.00 C ATOM 1469 ND1 HIS A 43 -8.170 0.984 27.492 1.00 0.00 N ATOM 1470 CD2 HIS A 43 -9.112 -0.873 28.206 1.00 0.00 C ATOM 1471 CE1 HIS A 43 -8.321 0.137 26.458 1.00 0.00 C ATOM 1472 NE2 HIS A 43 -8.890 -1.011 26.838 1.00 0.00 N ATOM 0 H HIS A 43 -8.035 3.295 29.112 1.00 0.00 H new ATOM 0 HA HIS A 43 -10.586 1.878 29.538 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -7.650 1.365 30.212 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -8.926 0.290 30.747 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -7.762 1.918 27.451 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -9.563 -1.620 28.842 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -8.019 0.358 25.445 1.00 0.00 H new ATOM 1480 N GLY A 44 -9.042 3.367 32.037 1.00 0.00 N ATOM 1481 CA GLY A 44 -9.320 3.816 33.432 1.00 0.00 C ATOM 1482 C GLY A 44 -9.156 2.655 34.416 1.00 0.00 C ATOM 1483 O GLY A 44 -9.534 2.753 35.566 1.00 0.00 O ATOM 0 H GLY A 44 -8.154 3.678 31.643 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -8.642 4.626 33.701 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -10.333 4.214 33.496 1.00 0.00 H new ATOM 1487 N VAL A 45 -8.603 1.555 33.976 1.00 0.00 N ATOM 1488 CA VAL A 45 -8.416 0.381 34.882 1.00 0.00 C ATOM 1489 C VAL A 45 -7.032 -0.226 34.634 1.00 0.00 C ATOM 1490 O VAL A 45 -6.341 0.135 33.702 1.00 0.00 O ATOM 1491 CB VAL A 45 -9.506 -0.661 34.609 1.00 0.00 C ATOM 1492 CG1 VAL A 45 -10.852 -0.143 35.125 1.00 0.00 C ATOM 1493 CG2 VAL A 45 -9.613 -0.910 33.102 1.00 0.00 C ATOM 0 H VAL A 45 -8.270 1.418 33.022 1.00 0.00 H new ATOM 0 HA VAL A 45 -8.490 0.701 35.921 1.00 0.00 H new ATOM 0 HB VAL A 45 -9.248 -1.590 35.118 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -11.626 -0.885 34.930 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -10.785 0.038 36.198 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -11.104 0.787 34.615 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -10.389 -1.651 32.910 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -9.868 0.021 32.597 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -8.659 -1.278 32.725 1.00 0.00 H new ATOM 1503 N VAL A 46 -6.618 -1.136 35.473 1.00 0.00 N ATOM 1504 CA VAL A 46 -5.274 -1.762 35.315 1.00 0.00 C ATOM 1505 C VAL A 46 -5.107 -2.335 33.904 1.00 0.00 C ATOM 1506 O VAL A 46 -6.053 -2.775 33.284 1.00 0.00 O ATOM 1507 CB VAL A 46 -5.127 -2.867 36.361 1.00 0.00 C ATOM 1508 CG1 VAL A 46 -5.159 -2.227 37.749 1.00 0.00 C ATOM 1509 CG2 VAL A 46 -6.291 -3.853 36.236 1.00 0.00 C ATOM 0 H VAL A 46 -7.158 -1.476 36.269 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.500 -1.009 35.460 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.188 -3.399 36.209 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -5.055 -3.001 38.509 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -4.338 -1.516 37.841 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -6.107 -1.707 37.888 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.183 -4.640 36.983 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -7.232 -3.327 36.396 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -6.288 -4.296 35.240 1.00 0.00 H new ATOM 1519 N ARG A 47 -3.899 -2.323 33.399 1.00 0.00 N ATOM 1520 CA ARG A 47 -3.627 -2.853 32.027 1.00 0.00 C ATOM 1521 C ARG A 47 -2.648 -4.029 32.133 1.00 0.00 C ATOM 1522 O ARG A 47 -1.531 -3.840 32.565 1.00 0.00 O ATOM 1523 CB ARG A 47 -2.955 -1.746 31.202 1.00 0.00 C ATOM 1524 CG ARG A 47 -2.692 -2.237 29.772 1.00 0.00 C ATOM 1525 CD ARG A 47 -1.944 -1.161 28.977 1.00 0.00 C ATOM 1526 NE ARG A 47 -0.487 -1.260 29.273 1.00 0.00 N ATOM 1527 CZ ARG A 47 0.385 -0.672 28.502 1.00 0.00 C ATOM 1528 NH1 ARG A 47 -0.010 0.015 27.465 1.00 0.00 N ATOM 1529 NH2 ARG A 47 1.659 -0.778 28.764 1.00 0.00 N ATOM 0 H ARG A 47 -3.078 -1.963 33.886 1.00 0.00 H new ATOM 0 HA ARG A 47 -4.558 -3.174 31.559 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -3.592 -0.862 31.179 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -2.017 -1.451 31.672 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -2.106 -3.156 29.796 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -3.636 -2.474 29.281 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -2.120 -1.292 27.909 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -2.315 -0.171 29.243 1.00 0.00 H new ATOM 0 HE ARG A 47 -0.170 -1.791 30.084 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -1.005 0.094 27.254 1.00 0.00 H new ATOM 0 HH12 ARG A 47 0.676 0.473 26.865 1.00 0.00 H new ATOM 0 HH21 ARG A 47 1.971 -1.320 29.570 1.00 0.00 H new ATOM 0 HH22 ARG A 47 2.343 -0.319 28.163 1.00 0.00 H new ATOM 1543 N PRO A 48 -3.021 -5.222 31.723 1.00 0.00 N ATOM 1544 CA PRO A 48 -2.089 -6.381 31.771 1.00 0.00 C ATOM 1545 C PRO A 48 -0.714 -5.971 31.239 1.00 0.00 C ATOM 1546 O PRO A 48 -0.424 -6.098 30.067 1.00 0.00 O ATOM 1547 CB PRO A 48 -2.763 -7.417 30.865 1.00 0.00 C ATOM 1548 CG PRO A 48 -4.223 -7.126 30.988 1.00 0.00 C ATOM 1549 CD PRO A 48 -4.338 -5.608 31.184 1.00 0.00 C ATOM 0 HA PRO A 48 -1.915 -6.765 32.776 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -2.425 -7.322 29.833 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -2.532 -8.433 31.184 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -4.761 -7.446 30.096 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -4.658 -7.662 31.832 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -4.551 -5.098 30.244 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -5.143 -5.354 31.874 1.00 0.00 H new ATOM 1557 N LEU A 49 0.123 -5.449 32.090 1.00 0.00 N ATOM 1558 CA LEU A 49 1.461 -4.999 31.627 1.00 0.00 C ATOM 1559 C LEU A 49 2.187 -6.190 30.999 1.00 0.00 C ATOM 1560 O LEU A 49 3.191 -6.042 30.333 1.00 0.00 O ATOM 1561 CB LEU A 49 2.259 -4.431 32.805 1.00 0.00 C ATOM 1562 CG LEU A 49 1.483 -3.280 33.465 1.00 0.00 C ATOM 1563 CD1 LEU A 49 2.299 -2.726 34.637 1.00 0.00 C ATOM 1564 CD2 LEU A 49 1.219 -2.158 32.447 1.00 0.00 C ATOM 0 H LEU A 49 -0.062 -5.315 33.084 1.00 0.00 H new ATOM 0 HA LEU A 49 1.356 -4.210 30.883 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.451 -5.216 33.536 1.00 0.00 H new ATOM 0 HB3 LEU A 49 3.229 -4.074 32.458 1.00 0.00 H new ATOM 0 HG LEU A 49 0.526 -3.658 33.825 1.00 0.00 H new ATOM 0 HD11 LEU A 49 1.752 -1.909 35.108 1.00 0.00 H new ATOM 0 HD12 LEU A 49 2.470 -3.517 35.367 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.257 -2.357 34.271 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.669 -1.351 32.930 1.00 0.00 H new ATOM 0 HD22 LEU A 49 2.169 -1.776 32.072 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.632 -2.551 31.617 1.00 0.00 H new ATOM 1576 N SER A 50 1.668 -7.370 31.201 1.00 0.00 N ATOM 1577 CA SER A 50 2.305 -8.581 30.610 1.00 0.00 C ATOM 1578 C SER A 50 2.326 -8.436 29.084 1.00 0.00 C ATOM 1579 O SER A 50 2.958 -9.201 28.384 1.00 0.00 O ATOM 1580 CB SER A 50 1.508 -9.826 31.004 1.00 0.00 C ATOM 1581 OG SER A 50 2.296 -10.983 30.757 1.00 0.00 O ATOM 0 H SER A 50 0.828 -7.548 31.751 1.00 0.00 H new ATOM 0 HA SER A 50 3.324 -8.683 30.982 1.00 0.00 H new ATOM 0 HB2 SER A 50 1.232 -9.777 32.057 1.00 0.00 H new ATOM 0 HB3 SER A 50 0.581 -9.874 30.433 1.00 0.00 H new ATOM 0 HG SER A 50 2.761 -10.885 29.900 1.00 0.00 H new ATOM 1587 N LEU A 51 1.643 -7.447 28.572 1.00 0.00 N ATOM 1588 CA LEU A 51 1.617 -7.219 27.096 1.00 0.00 C ATOM 1589 C LEU A 51 2.923 -6.546 26.680 1.00 0.00 C ATOM 1590 O LEU A 51 3.387 -6.695 25.567 1.00 0.00 O ATOM 1591 CB LEU A 51 0.474 -6.263 26.764 1.00 0.00 C ATOM 1592 CG LEU A 51 -0.870 -6.857 27.209 1.00 0.00 C ATOM 1593 CD1 LEU A 51 -1.873 -5.719 27.395 1.00 0.00 C ATOM 1594 CD2 LEU A 51 -1.402 -7.815 26.135 1.00 0.00 C ATOM 0 H LEU A 51 1.097 -6.781 29.118 1.00 0.00 H new ATOM 0 HA LEU A 51 1.488 -8.169 26.578 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.637 -5.306 27.259 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.455 -6.068 25.692 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.733 -7.402 28.143 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.833 -6.128 27.711 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.504 -5.030 28.154 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.998 -5.187 26.452 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.356 -8.232 26.459 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.542 -7.272 25.200 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.687 -8.623 25.981 1.00 0.00 H new ATOM 1606 N LYS A 52 3.498 -5.781 27.566 1.00 0.00 N ATOM 1607 CA LYS A 52 4.763 -5.051 27.249 1.00 0.00 C ATOM 1608 C LYS A 52 5.723 -5.938 26.450 1.00 0.00 C ATOM 1609 O LYS A 52 5.867 -7.118 26.696 1.00 0.00 O ATOM 1610 CB LYS A 52 5.413 -4.609 28.571 1.00 0.00 C ATOM 1611 CG LYS A 52 6.858 -4.112 28.382 1.00 0.00 C ATOM 1612 CD LYS A 52 6.915 -2.865 27.492 1.00 0.00 C ATOM 1613 CE LYS A 52 8.375 -2.429 27.350 1.00 0.00 C ATOM 1614 NZ LYS A 52 8.849 -1.854 28.639 1.00 0.00 N ATOM 0 H LYS A 52 3.142 -5.627 28.509 1.00 0.00 H new ATOM 0 HA LYS A 52 4.536 -4.180 26.635 1.00 0.00 H new ATOM 0 HB2 LYS A 52 4.815 -3.815 29.018 1.00 0.00 H new ATOM 0 HB3 LYS A 52 5.408 -5.444 29.271 1.00 0.00 H new ATOM 0 HG2 LYS A 52 7.295 -3.886 29.354 1.00 0.00 H new ATOM 0 HG3 LYS A 52 7.461 -4.904 27.938 1.00 0.00 H new ATOM 0 HD2 LYS A 52 6.488 -3.080 26.512 1.00 0.00 H new ATOM 0 HD3 LYS A 52 6.322 -2.062 27.929 1.00 0.00 H new ATOM 0 HE2 LYS A 52 8.994 -3.281 27.070 1.00 0.00 H new ATOM 0 HE3 LYS A 52 8.469 -1.691 26.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 9.634 -1.197 28.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 8.069 -1.343 29.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 9.175 -2.620 29.262 1.00 0.00 H new ATOM 1628 N THR A 53 6.394 -5.340 25.502 1.00 0.00 N ATOM 1629 CA THR A 53 7.385 -6.069 24.662 1.00 0.00 C ATOM 1630 C THR A 53 8.486 -5.084 24.264 1.00 0.00 C ATOM 1631 O THR A 53 8.344 -3.889 24.434 1.00 0.00 O ATOM 1632 CB THR A 53 6.701 -6.625 23.413 1.00 0.00 C ATOM 1633 OG1 THR A 53 7.678 -6.892 22.416 1.00 0.00 O ATOM 1634 CG2 THR A 53 5.683 -5.613 22.886 1.00 0.00 C ATOM 0 H THR A 53 6.293 -4.352 25.270 1.00 0.00 H new ATOM 0 HA THR A 53 7.811 -6.904 25.219 1.00 0.00 H new ATOM 0 HB THR A 53 6.183 -7.550 23.666 1.00 0.00 H new ATOM 0 HG1 THR A 53 7.240 -7.250 21.616 1.00 0.00 H new ATOM 0 HG21 THR A 53 5.198 -6.014 21.996 1.00 0.00 H new ATOM 0 HG22 THR A 53 4.932 -5.420 23.652 1.00 0.00 H new ATOM 0 HG23 THR A 53 6.192 -4.683 22.634 1.00 0.00 H new ATOM 1642 N ASP A 54 9.591 -5.565 23.762 1.00 0.00 N ATOM 1643 CA ASP A 54 10.711 -4.646 23.383 1.00 0.00 C ATOM 1644 C ASP A 54 10.666 -4.338 21.885 1.00 0.00 C ATOM 1645 O ASP A 54 11.545 -3.687 21.355 1.00 0.00 O ATOM 1646 CB ASP A 54 12.038 -5.327 23.722 1.00 0.00 C ATOM 1647 CG ASP A 54 12.231 -5.344 25.241 1.00 0.00 C ATOM 1648 OD1 ASP A 54 11.769 -4.418 25.887 1.00 0.00 O ATOM 1649 OD2 ASP A 54 12.847 -6.277 25.729 1.00 0.00 O ATOM 0 H ASP A 54 9.770 -6.555 23.596 1.00 0.00 H new ATOM 0 HA ASP A 54 10.613 -3.710 23.933 1.00 0.00 H new ATOM 0 HB2 ASP A 54 12.046 -6.345 23.332 1.00 0.00 H new ATOM 0 HB3 ASP A 54 12.863 -4.797 23.246 1.00 0.00 H new ATOM 1654 N VAL A 55 9.649 -4.795 21.200 1.00 0.00 N ATOM 1655 CA VAL A 55 9.524 -4.530 19.734 1.00 0.00 C ATOM 1656 C VAL A 55 8.176 -3.853 19.487 1.00 0.00 C ATOM 1657 O VAL A 55 7.170 -4.240 20.047 1.00 0.00 O ATOM 1658 CB VAL A 55 9.583 -5.855 18.974 1.00 0.00 C ATOM 1659 CG1 VAL A 55 9.523 -5.595 17.466 1.00 0.00 C ATOM 1660 CG2 VAL A 55 10.888 -6.573 19.322 1.00 0.00 C ATOM 0 H VAL A 55 8.890 -5.348 21.599 1.00 0.00 H new ATOM 0 HA VAL A 55 10.335 -3.888 19.390 1.00 0.00 H new ATOM 0 HB VAL A 55 8.734 -6.476 19.259 1.00 0.00 H new ATOM 0 HG11 VAL A 55 9.566 -6.544 16.931 1.00 0.00 H new ATOM 0 HG12 VAL A 55 8.593 -5.082 17.222 1.00 0.00 H new ATOM 0 HG13 VAL A 55 10.368 -4.974 17.170 1.00 0.00 H new ATOM 0 HG21 VAL A 55 10.937 -7.519 18.783 1.00 0.00 H new ATOM 0 HG22 VAL A 55 11.734 -5.948 19.036 1.00 0.00 H new ATOM 0 HG23 VAL A 55 10.924 -6.764 20.395 1.00 0.00 H new ATOM 1670 N ILE A 56 8.147 -2.845 18.655 1.00 0.00 N ATOM 1671 CA ILE A 56 6.865 -2.134 18.363 1.00 0.00 C ATOM 1672 C ILE A 56 6.396 -2.527 16.963 1.00 0.00 C ATOM 1673 O ILE A 56 7.198 -2.802 16.094 1.00 0.00 O ATOM 1674 CB ILE A 56 7.082 -0.620 18.408 1.00 0.00 C ATOM 1675 CG1 ILE A 56 7.585 -0.212 19.796 1.00 0.00 C ATOM 1676 CG2 ILE A 56 5.752 0.083 18.122 1.00 0.00 C ATOM 1677 CD1 ILE A 56 8.002 1.259 19.773 1.00 0.00 C ATOM 0 H ILE A 56 8.962 -2.481 18.161 1.00 0.00 H new ATOM 0 HA ILE A 56 6.119 -2.410 19.108 1.00 0.00 H new ATOM 0 HB ILE A 56 7.821 -0.334 17.660 1.00 0.00 H new ATOM 0 HG12 ILE A 56 6.803 -0.368 20.539 1.00 0.00 H new ATOM 0 HG13 ILE A 56 8.430 -0.836 20.087 1.00 0.00 H new ATOM 0 HG21 ILE A 56 5.897 1.163 18.152 1.00 0.00 H new ATOM 0 HG22 ILE A 56 5.392 -0.207 17.135 1.00 0.00 H new ATOM 0 HG23 ILE A 56 5.019 -0.205 18.875 1.00 0.00 H new ATOM 0 HD11 ILE A 56 8.360 1.551 20.760 1.00 0.00 H new ATOM 0 HD12 ILE A 56 8.798 1.400 19.042 1.00 0.00 H new ATOM 0 HD13 ILE A 56 7.146 1.876 19.501 1.00 0.00 H new ATOM 1689 N LYS A 57 5.113 -2.552 16.725 1.00 0.00 N ATOM 1690 CA LYS A 57 4.635 -2.925 15.365 1.00 0.00 C ATOM 1691 C LYS A 57 4.749 -1.700 14.459 1.00 0.00 C ATOM 1692 O LYS A 57 4.060 -0.714 14.637 1.00 0.00 O ATOM 1693 CB LYS A 57 3.175 -3.385 15.433 1.00 0.00 C ATOM 1694 CG LYS A 57 2.769 -3.972 14.077 1.00 0.00 C ATOM 1695 CD LYS A 57 1.319 -4.475 14.124 1.00 0.00 C ATOM 1696 CE LYS A 57 1.187 -5.639 15.117 1.00 0.00 C ATOM 1697 NZ LYS A 57 0.027 -6.490 14.727 1.00 0.00 N ATOM 0 H LYS A 57 4.384 -2.333 17.404 1.00 0.00 H new ATOM 0 HA LYS A 57 5.240 -3.741 14.969 1.00 0.00 H new ATOM 0 HB2 LYS A 57 3.052 -4.132 16.218 1.00 0.00 H new ATOM 0 HB3 LYS A 57 2.528 -2.546 15.688 1.00 0.00 H new ATOM 0 HG2 LYS A 57 2.873 -3.215 13.300 1.00 0.00 H new ATOM 0 HG3 LYS A 57 3.437 -4.792 13.814 1.00 0.00 H new ATOM 0 HD2 LYS A 57 0.655 -3.662 14.417 1.00 0.00 H new ATOM 0 HD3 LYS A 57 1.008 -4.799 13.131 1.00 0.00 H new ATOM 0 HE2 LYS A 57 2.102 -6.232 15.124 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.048 -5.256 16.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -0.065 -7.280 15.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -0.843 -5.920 14.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 0.178 -6.865 13.769 1.00 0.00 H new ATOM 1711 N LYS A 58 5.612 -1.755 13.480 1.00 0.00 N ATOM 1712 CA LYS A 58 5.766 -0.594 12.560 1.00 0.00 C ATOM 1713 C LYS A 58 4.664 -0.651 11.505 1.00 0.00 C ATOM 1714 O LYS A 58 4.554 -1.608 10.763 1.00 0.00 O ATOM 1715 CB LYS A 58 7.136 -0.651 11.876 1.00 0.00 C ATOM 1716 CG LYS A 58 8.232 -0.334 12.895 1.00 0.00 C ATOM 1717 CD LYS A 58 9.611 -0.606 12.283 1.00 0.00 C ATOM 1718 CE LYS A 58 9.930 0.447 11.216 1.00 0.00 C ATOM 1719 NZ LYS A 58 11.383 0.393 10.886 1.00 0.00 N ATOM 0 H LYS A 58 6.215 -2.552 13.279 1.00 0.00 H new ATOM 0 HA LYS A 58 5.691 0.335 13.125 1.00 0.00 H new ATOM 0 HB2 LYS A 58 7.299 -1.640 11.447 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.173 0.063 11.053 1.00 0.00 H new ATOM 0 HG2 LYS A 58 8.162 0.709 13.205 1.00 0.00 H new ATOM 0 HG3 LYS A 58 8.095 -0.942 13.789 1.00 0.00 H new ATOM 0 HD2 LYS A 58 10.373 -0.588 13.062 1.00 0.00 H new ATOM 0 HD3 LYS A 58 9.631 -1.602 11.840 1.00 0.00 H new ATOM 0 HE2 LYS A 58 9.335 0.265 10.321 1.00 0.00 H new ATOM 0 HE3 LYS A 58 9.665 1.440 11.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 11.601 1.107 10.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 11.941 0.586 11.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 11.622 -0.552 10.523 1.00 0.00 H new ATOM 1733 N ARG A 59 3.835 0.359 11.439 1.00 0.00 N ATOM 1734 CA ARG A 59 2.726 0.361 10.440 1.00 0.00 C ATOM 1735 C ARG A 59 3.120 1.234 9.255 1.00 0.00 C ATOM 1736 O ARG A 59 4.193 1.802 9.216 1.00 0.00 O ATOM 1737 CB ARG A 59 1.454 0.939 11.066 1.00 0.00 C ATOM 1738 CG ARG A 59 1.002 0.067 12.239 1.00 0.00 C ATOM 1739 CD ARG A 59 -0.443 0.416 12.610 1.00 0.00 C ATOM 1740 NE ARG A 59 -1.367 -0.072 11.547 1.00 0.00 N ATOM 1741 CZ ARG A 59 -2.647 -0.162 11.792 1.00 0.00 C ATOM 1742 NH1 ARG A 59 -3.116 0.232 12.944 1.00 0.00 N ATOM 1743 NH2 ARG A 59 -3.458 -0.638 10.886 1.00 0.00 N ATOM 0 H ARG A 59 3.879 1.185 12.036 1.00 0.00 H new ATOM 0 HA ARG A 59 2.542 -0.663 10.116 1.00 0.00 H new ATOM 0 HB2 ARG A 59 1.639 1.957 11.409 1.00 0.00 H new ATOM 0 HB3 ARG A 59 0.663 0.994 10.318 1.00 0.00 H new ATOM 0 HG2 ARG A 59 1.075 -0.987 11.971 1.00 0.00 H new ATOM 0 HG3 ARG A 59 1.657 0.224 13.096 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -0.702 -0.037 13.567 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -0.548 1.494 12.729 1.00 0.00 H new ATOM 0 HE ARG A 59 -1.001 -0.335 10.632 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -2.484 0.609 13.650 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -4.115 0.163 13.138 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -3.093 -0.941 9.983 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -4.457 -0.707 11.081 1.00 0.00 H new ATOM 1757 N ASN A 60 2.263 1.336 8.282 1.00 0.00 N ATOM 1758 CA ASN A 60 2.592 2.163 7.092 1.00 0.00 C ATOM 1759 C ASN A 60 2.386 3.640 7.422 1.00 0.00 C ATOM 1760 O ASN A 60 2.307 4.029 8.572 1.00 0.00 O ATOM 1761 CB ASN A 60 1.681 1.770 5.927 1.00 0.00 C ATOM 1762 CG ASN A 60 0.232 2.120 6.267 1.00 0.00 C ATOM 1763 OD1 ASN A 60 -0.122 2.242 7.424 1.00 0.00 O ATOM 1764 ND2 ASN A 60 -0.627 2.293 5.300 1.00 0.00 N ATOM 0 H ASN A 60 1.349 0.883 8.259 1.00 0.00 H new ATOM 0 HA ASN A 60 3.632 1.995 6.813 1.00 0.00 H new ATOM 0 HB2 ASN A 60 1.988 2.291 5.020 1.00 0.00 H new ATOM 0 HB3 ASN A 60 1.770 0.702 5.727 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -1.595 2.531 5.515 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -0.330 2.191 4.330 1.00 0.00 H new