USER MOD reduce.3.24.130724 H: found=0, std=0, add=411, rem=0, adj=16 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= 1.52 USER MOD Set 1.2: A 15 CYS SG : rot -57:sc= -0.0738! USER MOD Set 1.3: A 17 THR OG1 : rot 98:sc= -0.672! USER MOD Set 1.4: A 33 CYS SG : rot -133:sc= 1.53 USER MOD Set 1.5: A 36 CYS SG : rot 145:sc= 0.107 USER MOD Set 1.6: A 52 LYS NZ :NH3+ -138:sc= 0.868 (180deg=-1.21!) USER MOD Set 2.1: A 20 THR OG1 : rot -126:sc=-0.00379 USER MOD Set 2.2: A 34 ASN : amide:sc= -9.38! K(o=-9.4!,f=-2.5) USER MOD Set 3.1: A 13 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 14 ASN : amide:sc= -4.91! C(o=-4.9!,f=-4!) USER MOD Single : A 11 THR OG1 : rot 40:sc= 0.0641 USER MOD Single : A 18 GLN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -4.19! C(o=-4.2!,f=-17!) USER MOD Single : A 30 GLN : amide:sc= -1.26! K(o=-1.3!,f=0) USER MOD Single : A 41 LYS NZ :NH3+ -165:sc= -0.0138 (180deg=-0.361) USER MOD Single : A 43 HIS : no HE2:sc= -8.95! C(o=-8.9!,f=-11!) USER MOD Single : A 50 SER OG : rot -9:sc= 0.366! USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.295 USER MOD Single : A 57 LYS NZ :NH3+ -159:sc= -0.0188 (180deg=-0.299) USER MOD Single : A 58 LYS NZ :NH3+ -151:sc= -0.155 (180deg=-1.05) USER MOD Single : A 60 ASN : amide:sc= -0.0331 K(o=-0.033,f=-1.8!) USER MOD ----------------------------------------------------------------- ATOM 970 N THR A 11 11.691 7.193 31.422 1.00 0.00 N ATOM 971 CA THR A 11 11.257 5.766 31.518 1.00 0.00 C ATOM 972 C THR A 11 9.772 5.699 31.882 1.00 0.00 C ATOM 973 O THR A 11 9.296 6.431 32.728 1.00 0.00 O ATOM 974 CB THR A 11 12.076 5.053 32.594 1.00 0.00 C ATOM 975 OG1 THR A 11 13.445 5.045 32.215 1.00 0.00 O ATOM 976 CG2 THR A 11 11.576 3.615 32.745 1.00 0.00 C ATOM 0 HA THR A 11 11.415 5.279 30.556 1.00 0.00 H new ATOM 0 HB THR A 11 11.966 5.575 33.544 1.00 0.00 H new ATOM 0 HG1 THR A 11 13.676 5.905 31.807 1.00 0.00 H new ATOM 0 HG21 THR A 11 12.159 3.106 33.512 1.00 0.00 H new ATOM 0 HG22 THR A 11 10.525 3.624 33.034 1.00 0.00 H new ATOM 0 HG23 THR A 11 11.687 3.090 31.796 1.00 0.00 H new ATOM 984 N CYS A 12 9.038 4.821 31.253 1.00 0.00 N ATOM 985 CA CYS A 12 7.583 4.702 31.562 1.00 0.00 C ATOM 986 C CYS A 12 7.395 4.115 32.962 1.00 0.00 C ATOM 987 O CYS A 12 7.663 2.954 33.205 1.00 0.00 O ATOM 988 CB CYS A 12 6.910 3.792 30.540 1.00 0.00 C ATOM 989 SG CYS A 12 5.118 4.029 30.637 1.00 0.00 S ATOM 0 H CYS A 12 9.383 4.180 30.538 1.00 0.00 H new ATOM 0 HA CYS A 12 7.131 5.693 31.520 1.00 0.00 H new ATOM 0 HB2 CYS A 12 7.267 4.023 29.536 1.00 0.00 H new ATOM 0 HB3 CYS A 12 7.164 2.751 30.737 1.00 0.00 H new ATOM 0 HG CYS A 12 4.565 3.608 29.538 1.00 0.00 H new ATOM 994 N THR A 13 6.923 4.913 33.877 1.00 0.00 N ATOM 995 CA THR A 13 6.708 4.430 35.270 1.00 0.00 C ATOM 996 C THR A 13 5.593 3.387 35.313 1.00 0.00 C ATOM 997 O THR A 13 5.398 2.730 36.317 1.00 0.00 O ATOM 998 CB THR A 13 6.308 5.608 36.159 1.00 0.00 C ATOM 999 OG1 THR A 13 5.186 6.263 35.587 1.00 0.00 O ATOM 1000 CG2 THR A 13 7.474 6.588 36.273 1.00 0.00 C ATOM 0 H THR A 13 6.674 5.889 33.718 1.00 0.00 H new ATOM 0 HA THR A 13 7.635 3.980 35.626 1.00 0.00 H new ATOM 0 HB THR A 13 6.051 5.244 37.154 1.00 0.00 H new ATOM 0 HG1 THR A 13 4.924 7.018 36.154 1.00 0.00 H new ATOM 0 HG21 THR A 13 7.184 7.426 36.907 1.00 0.00 H new ATOM 0 HG22 THR A 13 8.334 6.081 36.711 1.00 0.00 H new ATOM 0 HG23 THR A 13 7.737 6.957 35.282 1.00 0.00 H new ATOM 1008 N ASN A 14 4.844 3.234 34.252 1.00 0.00 N ATOM 1009 CA ASN A 14 3.729 2.240 34.264 1.00 0.00 C ATOM 1010 C ASN A 14 4.170 0.922 33.624 1.00 0.00 C ATOM 1011 O ASN A 14 3.698 -0.130 34.008 1.00 0.00 O ATOM 1012 CB ASN A 14 2.539 2.809 33.490 1.00 0.00 C ATOM 1013 CG ASN A 14 1.904 3.938 34.305 1.00 0.00 C ATOM 1014 OD1 ASN A 14 0.903 4.501 33.908 1.00 0.00 O ATOM 1015 ND2 ASN A 14 2.452 4.299 35.434 1.00 0.00 N ATOM 0 H ASN A 14 4.955 3.752 33.381 1.00 0.00 H new ATOM 0 HA ASN A 14 3.445 2.045 35.298 1.00 0.00 H new ATOM 0 HB2 ASN A 14 2.866 3.184 32.520 1.00 0.00 H new ATOM 0 HB3 ASN A 14 1.806 2.025 33.298 1.00 0.00 H new ATOM 0 HD21 ASN A 14 2.040 5.054 35.983 1.00 0.00 H new ATOM 0 HD22 ASN A 14 3.292 3.826 35.767 1.00 0.00 H new ATOM 1022 N CYS A 15 5.047 0.949 32.646 1.00 0.00 N ATOM 1023 CA CYS A 15 5.474 -0.332 31.996 1.00 0.00 C ATOM 1024 C CYS A 15 6.983 -0.329 31.720 1.00 0.00 C ATOM 1025 O CYS A 15 7.490 -1.178 31.014 1.00 0.00 O ATOM 1026 CB CYS A 15 4.688 -0.533 30.696 1.00 0.00 C ATOM 1027 SG CYS A 15 5.358 0.514 29.381 1.00 0.00 S ATOM 0 H CYS A 15 5.481 1.793 32.273 1.00 0.00 H new ATOM 0 HA CYS A 15 5.262 -1.159 32.674 1.00 0.00 H new ATOM 0 HB2 CYS A 15 4.734 -1.579 30.395 1.00 0.00 H new ATOM 0 HB3 CYS A 15 3.637 -0.294 30.859 1.00 0.00 H new ATOM 0 HG CYS A 15 5.325 1.758 29.757 1.00 0.00 H new ATOM 1032 N PHE A 16 7.708 0.593 32.295 1.00 0.00 N ATOM 1033 CA PHE A 16 9.190 0.632 32.109 1.00 0.00 C ATOM 1034 C PHE A 16 9.581 0.734 30.630 1.00 0.00 C ATOM 1035 O PHE A 16 10.750 0.730 30.302 1.00 0.00 O ATOM 1036 CB PHE A 16 9.815 -0.632 32.710 1.00 0.00 C ATOM 1037 CG PHE A 16 9.414 -0.758 34.161 1.00 0.00 C ATOM 1038 CD1 PHE A 16 10.140 -0.087 35.152 1.00 0.00 C ATOM 1039 CD2 PHE A 16 8.316 -1.551 34.515 1.00 0.00 C ATOM 1040 CE1 PHE A 16 9.768 -0.209 36.496 1.00 0.00 C ATOM 1041 CE2 PHE A 16 7.943 -1.673 35.858 1.00 0.00 C ATOM 1042 CZ PHE A 16 8.669 -1.002 36.850 1.00 0.00 C ATOM 0 H PHE A 16 7.333 1.330 32.893 1.00 0.00 H new ATOM 0 HA PHE A 16 9.563 1.521 32.617 1.00 0.00 H new ATOM 0 HB2 PHE A 16 9.487 -1.511 32.155 1.00 0.00 H new ATOM 0 HB3 PHE A 16 10.901 -0.588 32.625 1.00 0.00 H new ATOM 0 HD1 PHE A 16 10.987 0.525 34.880 1.00 0.00 H new ATOM 0 HD2 PHE A 16 7.756 -2.069 33.751 1.00 0.00 H new ATOM 0 HE1 PHE A 16 10.329 0.309 37.260 1.00 0.00 H new ATOM 0 HE2 PHE A 16 7.095 -2.285 36.130 1.00 0.00 H new ATOM 0 HZ PHE A 16 8.382 -1.096 37.887 1.00 0.00 H new ATOM 1052 N THR A 17 8.641 0.806 29.728 1.00 0.00 N ATOM 1053 CA THR A 17 9.025 0.882 28.287 1.00 0.00 C ATOM 1054 C THR A 17 9.912 2.107 28.056 1.00 0.00 C ATOM 1055 O THR A 17 9.520 3.228 28.309 1.00 0.00 O ATOM 1056 CB THR A 17 7.762 1.001 27.426 1.00 0.00 C ATOM 1057 OG1 THR A 17 7.058 -0.231 27.450 1.00 0.00 O ATOM 1058 CG2 THR A 17 8.134 1.344 25.981 1.00 0.00 C ATOM 0 H THR A 17 7.639 0.816 29.920 1.00 0.00 H new ATOM 0 HA THR A 17 9.571 -0.020 28.012 1.00 0.00 H new ATOM 0 HB THR A 17 7.134 1.796 27.828 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.338 -0.183 28.113 1.00 0.00 H new ATOM 0 HG21 THR A 17 7.227 1.425 25.381 1.00 0.00 H new ATOM 0 HG22 THR A 17 8.670 2.293 25.959 1.00 0.00 H new ATOM 0 HG23 THR A 17 8.770 0.558 25.573 1.00 0.00 H new ATOM 1066 N GLN A 18 11.108 1.893 27.570 1.00 0.00 N ATOM 1067 CA GLN A 18 12.037 3.032 27.309 1.00 0.00 C ATOM 1068 C GLN A 18 11.993 3.397 25.822 1.00 0.00 C ATOM 1069 O GLN A 18 12.653 4.318 25.386 1.00 0.00 O ATOM 1070 CB GLN A 18 13.463 2.628 27.701 1.00 0.00 C ATOM 1071 CG GLN A 18 13.945 1.464 26.828 1.00 0.00 C ATOM 1072 CD GLN A 18 15.312 0.989 27.326 1.00 0.00 C ATOM 1073 OE1 GLN A 18 15.547 0.919 28.516 1.00 0.00 O ATOM 1074 NE2 GLN A 18 16.233 0.662 26.460 1.00 0.00 N ATOM 0 H GLN A 18 11.482 0.972 27.342 1.00 0.00 H new ATOM 0 HA GLN A 18 11.731 3.895 27.901 1.00 0.00 H new ATOM 0 HB2 GLN A 18 14.134 3.479 27.587 1.00 0.00 H new ATOM 0 HB3 GLN A 18 13.491 2.339 28.752 1.00 0.00 H new ATOM 0 HG2 GLN A 18 13.227 0.645 26.866 1.00 0.00 H new ATOM 0 HG3 GLN A 18 14.014 1.780 25.787 1.00 0.00 H new ATOM 0 HE21 GLN A 18 16.037 0.720 25.461 1.00 0.00 H new ATOM 0 HE22 GLN A 18 17.148 0.348 26.783 1.00 0.00 H new ATOM 1083 N THR A 19 11.216 2.682 25.044 1.00 0.00 N ATOM 1084 CA THR A 19 11.112 2.978 23.579 1.00 0.00 C ATOM 1085 C THR A 19 9.656 3.300 23.225 1.00 0.00 C ATOM 1086 O THR A 19 8.749 2.568 23.571 1.00 0.00 O ATOM 1087 CB THR A 19 11.574 1.754 22.782 1.00 0.00 C ATOM 1088 OG1 THR A 19 12.920 1.457 23.122 1.00 0.00 O ATOM 1089 CG2 THR A 19 11.490 2.048 21.282 1.00 0.00 C ATOM 0 H THR A 19 10.645 1.900 25.364 1.00 0.00 H new ATOM 0 HA THR A 19 11.742 3.833 23.333 1.00 0.00 H new ATOM 0 HB THR A 19 10.932 0.906 23.021 1.00 0.00 H new ATOM 0 HG1 THR A 19 13.220 0.673 22.616 1.00 0.00 H new ATOM 0 HG21 THR A 19 11.820 1.174 20.721 1.00 0.00 H new ATOM 0 HG22 THR A 19 10.460 2.283 21.015 1.00 0.00 H new ATOM 0 HG23 THR A 19 12.130 2.897 21.041 1.00 0.00 H new ATOM 1097 N THR A 20 9.422 4.387 22.538 1.00 0.00 N ATOM 1098 CA THR A 20 8.023 4.745 22.163 1.00 0.00 C ATOM 1099 C THR A 20 8.036 5.842 21.093 1.00 0.00 C ATOM 1100 O THR A 20 8.931 6.663 21.062 1.00 0.00 O ATOM 1101 CB THR A 20 7.289 5.265 23.399 1.00 0.00 C ATOM 1102 OG1 THR A 20 6.125 5.976 22.999 1.00 0.00 O ATOM 1103 CG2 THR A 20 8.207 6.199 24.189 1.00 0.00 C ATOM 0 H THR A 20 10.138 5.041 22.221 1.00 0.00 H new ATOM 0 HA THR A 20 7.519 3.862 21.771 1.00 0.00 H new ATOM 0 HB THR A 20 7.003 4.421 24.027 1.00 0.00 H new ATOM 0 HG1 THR A 20 6.138 6.873 23.393 1.00 0.00 H new ATOM 0 HG21 THR A 20 7.680 6.568 25.069 1.00 0.00 H new ATOM 0 HG22 THR A 20 9.098 5.655 24.501 1.00 0.00 H new ATOM 0 HG23 THR A 20 8.497 7.041 23.561 1.00 0.00 H new ATOM 1111 N PRO A 21 7.050 5.876 20.228 1.00 0.00 N ATOM 1112 CA PRO A 21 6.965 6.918 19.162 1.00 0.00 C ATOM 1113 C PRO A 21 6.752 8.321 19.746 1.00 0.00 C ATOM 1114 O PRO A 21 7.056 9.315 19.118 1.00 0.00 O ATOM 1115 CB PRO A 21 5.760 6.483 18.312 1.00 0.00 C ATOM 1116 CG PRO A 21 4.931 5.634 19.220 1.00 0.00 C ATOM 1117 CD PRO A 21 5.917 4.935 20.154 1.00 0.00 C ATOM 0 HA PRO A 21 7.887 6.989 18.585 1.00 0.00 H new ATOM 0 HB2 PRO A 21 5.197 7.345 17.955 1.00 0.00 H new ATOM 0 HB3 PRO A 21 6.079 5.925 17.432 1.00 0.00 H new ATOM 0 HG2 PRO A 21 4.222 6.241 19.783 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.349 4.908 18.653 1.00 0.00 H new ATOM 0 HD2 PRO A 21 5.480 4.755 21.136 1.00 0.00 H new ATOM 0 HD3 PRO A 21 6.225 3.967 19.760 1.00 0.00 H new ATOM 1125 N VAL A 22 6.222 8.409 20.937 1.00 0.00 N ATOM 1126 CA VAL A 22 5.986 9.752 21.542 1.00 0.00 C ATOM 1127 C VAL A 22 5.748 9.618 23.049 1.00 0.00 C ATOM 1128 O VAL A 22 5.150 8.670 23.516 1.00 0.00 O ATOM 1129 CB VAL A 22 4.768 10.398 20.879 1.00 0.00 C ATOM 1130 CG1 VAL A 22 3.541 9.503 21.067 1.00 0.00 C ATOM 1131 CG2 VAL A 22 4.504 11.765 21.514 1.00 0.00 C ATOM 0 H VAL A 22 5.944 7.615 21.514 1.00 0.00 H new ATOM 0 HA VAL A 22 6.864 10.378 21.382 1.00 0.00 H new ATOM 0 HB VAL A 22 4.963 10.523 19.814 1.00 0.00 H new ATOM 0 HG11 VAL A 22 2.676 9.967 20.593 1.00 0.00 H new ATOM 0 HG12 VAL A 22 3.727 8.531 20.611 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.345 9.373 22.131 1.00 0.00 H new ATOM 0 HG21 VAL A 22 3.636 12.224 21.041 1.00 0.00 H new ATOM 0 HG22 VAL A 22 4.313 11.640 22.580 1.00 0.00 H new ATOM 0 HG23 VAL A 22 5.375 12.405 21.374 1.00 0.00 H new ATOM 1141 N TRP A 23 6.230 10.564 23.812 1.00 0.00 N ATOM 1142 CA TRP A 23 6.060 10.506 25.295 1.00 0.00 C ATOM 1143 C TRP A 23 4.815 11.284 25.725 1.00 0.00 C ATOM 1144 O TRP A 23 4.584 12.403 25.312 1.00 0.00 O ATOM 1145 CB TRP A 23 7.311 11.087 25.956 1.00 0.00 C ATOM 1146 CG TRP A 23 8.432 10.115 25.767 1.00 0.00 C ATOM 1147 CD1 TRP A 23 9.414 10.218 24.842 1.00 0.00 C ATOM 1148 CD2 TRP A 23 8.677 8.874 26.487 1.00 0.00 C ATOM 1149 NE1 TRP A 23 10.250 9.122 24.954 1.00 0.00 N ATOM 1150 CE2 TRP A 23 9.838 8.265 25.956 1.00 0.00 C ATOM 1151 CE3 TRP A 23 8.011 8.229 27.543 1.00 0.00 C ATOM 1152 CZ2 TRP A 23 10.320 7.052 26.456 1.00 0.00 C ATOM 1153 CZ3 TRP A 23 8.491 7.012 28.048 1.00 0.00 C ATOM 1154 CH2 TRP A 23 9.643 6.424 27.506 1.00 0.00 C ATOM 0 H TRP A 23 6.738 11.380 23.469 1.00 0.00 H new ATOM 0 HA TRP A 23 5.928 9.470 25.607 1.00 0.00 H new ATOM 0 HB2 TRP A 23 7.564 12.050 25.512 1.00 0.00 H new ATOM 0 HB3 TRP A 23 7.134 11.262 27.017 1.00 0.00 H new ATOM 0 HD1 TRP A 23 9.527 11.024 24.132 1.00 0.00 H new ATOM 0 HE1 TRP A 23 11.070 8.966 24.368 1.00 0.00 H new ATOM 0 HE3 TRP A 23 7.123 8.674 27.969 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 11.208 6.604 26.035 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 7.970 6.525 28.859 1.00 0.00 H new ATOM 0 HH2 TRP A 23 10.007 5.486 27.899 1.00 0.00 H new ATOM 1165 N ARG A 24 4.012 10.677 26.560 1.00 0.00 N ATOM 1166 CA ARG A 24 2.761 11.327 27.051 1.00 0.00 C ATOM 1167 C ARG A 24 2.985 11.834 28.477 1.00 0.00 C ATOM 1168 O ARG A 24 3.986 11.538 29.100 1.00 0.00 O ATOM 1169 CB ARG A 24 1.633 10.287 27.071 1.00 0.00 C ATOM 1170 CG ARG A 24 1.290 9.823 25.648 1.00 0.00 C ATOM 1171 CD ARG A 24 0.329 10.806 24.968 1.00 0.00 C ATOM 1172 NE ARG A 24 0.185 10.441 23.529 1.00 0.00 N ATOM 1173 CZ ARG A 24 -0.829 10.886 22.839 1.00 0.00 C ATOM 1174 NH1 ARG A 24 -1.760 11.587 23.425 1.00 0.00 N ATOM 1175 NH2 ARG A 24 -0.920 10.616 21.565 1.00 0.00 N ATOM 0 H ARG A 24 4.174 9.740 26.929 1.00 0.00 H new ATOM 0 HA ARG A 24 2.496 12.157 26.396 1.00 0.00 H new ATOM 0 HB2 ARG A 24 1.933 9.430 27.675 1.00 0.00 H new ATOM 0 HB3 ARG A 24 0.748 10.714 27.542 1.00 0.00 H new ATOM 0 HG2 ARG A 24 2.203 9.736 25.060 1.00 0.00 H new ATOM 0 HG3 ARG A 24 0.838 8.832 25.684 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -0.643 10.781 25.460 1.00 0.00 H new ATOM 0 HD3 ARG A 24 0.707 11.824 25.060 1.00 0.00 H new ATOM 0 HE ARG A 24 0.880 9.842 23.084 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -1.695 11.787 24.423 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -2.553 11.935 22.885 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -0.199 10.057 21.109 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -1.713 10.964 21.025 1.00 0.00 H new ATOM 1189 N ARG A 25 2.055 12.591 28.999 1.00 0.00 N ATOM 1190 CA ARG A 25 2.189 13.122 30.390 1.00 0.00 C ATOM 1191 C ARG A 25 0.870 12.908 31.134 1.00 0.00 C ATOM 1192 O ARG A 25 -0.168 12.720 30.531 1.00 0.00 O ATOM 1193 CB ARG A 25 2.494 14.622 30.346 1.00 0.00 C ATOM 1194 CG ARG A 25 3.902 14.858 29.786 1.00 0.00 C ATOM 1195 CD ARG A 25 4.965 14.252 30.721 1.00 0.00 C ATOM 1196 NE ARG A 25 6.130 15.180 30.828 1.00 0.00 N ATOM 1197 CZ ARG A 25 6.686 15.697 29.765 1.00 0.00 C ATOM 1198 NH1 ARG A 25 6.324 15.312 28.572 1.00 0.00 N ATOM 1199 NH2 ARG A 25 7.643 16.574 29.899 1.00 0.00 N ATOM 0 H ARG A 25 1.200 12.867 28.517 1.00 0.00 H new ATOM 0 HA ARG A 25 3.000 12.600 30.899 1.00 0.00 H new ATOM 0 HB2 ARG A 25 1.757 15.133 29.726 1.00 0.00 H new ATOM 0 HB3 ARG A 25 2.417 15.046 31.347 1.00 0.00 H new ATOM 0 HG2 ARG A 25 3.985 14.412 28.795 1.00 0.00 H new ATOM 0 HG3 ARG A 25 4.079 15.927 29.670 1.00 0.00 H new ATOM 0 HD2 ARG A 25 4.537 14.075 31.708 1.00 0.00 H new ATOM 0 HD3 ARG A 25 5.292 13.285 30.338 1.00 0.00 H new ATOM 0 HE ARG A 25 6.499 15.415 31.749 1.00 0.00 H new ATOM 0 HH11 ARG A 25 5.601 14.601 28.463 1.00 0.00 H new ATOM 0 HH12 ARG A 25 6.764 15.722 27.748 1.00 0.00 H new ATOM 0 HH21 ARG A 25 7.953 16.852 30.830 1.00 0.00 H new ATOM 0 HH22 ARG A 25 8.081 16.981 29.073 1.00 0.00 H new ATOM 1213 N ASN A 26 0.909 12.928 32.442 1.00 0.00 N ATOM 1214 CA ASN A 26 -0.329 12.719 33.256 1.00 0.00 C ATOM 1215 C ASN A 26 -0.491 13.909 34.214 1.00 0.00 C ATOM 1216 O ASN A 26 0.492 14.467 34.657 1.00 0.00 O ATOM 1217 CB ASN A 26 -0.149 11.423 34.061 1.00 0.00 C ATOM 1218 CG ASN A 26 -1.185 11.333 35.183 1.00 0.00 C ATOM 1219 OD1 ASN A 26 -1.086 12.029 36.173 1.00 0.00 O ATOM 1220 ND2 ASN A 26 -2.185 10.503 35.065 1.00 0.00 N ATOM 0 H ASN A 26 1.756 13.082 32.988 1.00 0.00 H new ATOM 0 HA ASN A 26 -1.212 12.645 32.621 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -0.247 10.562 33.400 1.00 0.00 H new ATOM 0 HB3 ASN A 26 0.855 11.388 34.483 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -2.884 10.439 35.805 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -2.267 9.919 34.233 1.00 0.00 H new ATOM 1227 N PRO A 27 -1.699 14.306 34.553 1.00 0.00 N ATOM 1228 CA PRO A 27 -1.913 15.447 35.492 1.00 0.00 C ATOM 1229 C PRO A 27 -1.085 15.301 36.779 1.00 0.00 C ATOM 1230 O PRO A 27 -1.106 16.162 37.635 1.00 0.00 O ATOM 1231 CB PRO A 27 -3.428 15.434 35.786 1.00 0.00 C ATOM 1232 CG PRO A 27 -3.947 14.147 35.217 1.00 0.00 C ATOM 1233 CD PRO A 27 -2.988 13.752 34.096 1.00 0.00 C ATOM 0 HA PRO A 27 -1.587 16.392 35.058 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -3.618 15.492 36.858 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -3.922 16.291 35.328 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -3.989 13.373 35.983 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -4.960 14.272 34.835 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -2.940 12.671 33.968 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -3.292 14.173 33.138 1.00 0.00 H new ATOM 1241 N GLU A 28 -0.338 14.233 36.911 1.00 0.00 N ATOM 1242 CA GLU A 28 0.514 14.047 38.125 1.00 0.00 C ATOM 1243 C GLU A 28 1.948 14.456 37.776 1.00 0.00 C ATOM 1244 O GLU A 28 2.764 14.713 38.639 1.00 0.00 O ATOM 1245 CB GLU A 28 0.497 12.575 38.550 1.00 0.00 C ATOM 1246 CG GLU A 28 -0.883 12.207 39.106 1.00 0.00 C ATOM 1247 CD GLU A 28 -1.126 12.951 40.421 1.00 0.00 C ATOM 1248 OE1 GLU A 28 -0.156 13.272 41.086 1.00 0.00 O ATOM 1249 OE2 GLU A 28 -2.280 13.188 40.738 1.00 0.00 O ATOM 0 H GLU A 28 -0.282 13.479 36.227 1.00 0.00 H new ATOM 0 HA GLU A 28 0.133 14.658 38.943 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.737 11.939 37.698 1.00 0.00 H new ATOM 0 HB3 GLU A 28 1.262 12.397 39.306 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.657 12.465 38.383 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -0.945 11.131 39.269 1.00 0.00 H new ATOM 1256 N GLY A 29 2.250 14.519 36.507 1.00 0.00 N ATOM 1257 CA GLY A 29 3.619 14.911 36.062 1.00 0.00 C ATOM 1258 C GLY A 29 4.508 13.674 35.923 1.00 0.00 C ATOM 1259 O GLY A 29 5.704 13.779 35.730 1.00 0.00 O ATOM 0 H GLY A 29 1.598 14.313 35.750 1.00 0.00 H new ATOM 0 HA2 GLY A 29 3.562 15.435 35.108 1.00 0.00 H new ATOM 0 HA3 GLY A 29 4.058 15.603 36.780 1.00 0.00 H new ATOM 1263 N GLN A 30 3.939 12.501 36.002 1.00 0.00 N ATOM 1264 CA GLN A 30 4.755 11.261 35.854 1.00 0.00 C ATOM 1265 C GLN A 30 4.860 10.911 34.361 1.00 0.00 C ATOM 1266 O GLN A 30 3.887 11.014 33.641 1.00 0.00 O ATOM 1267 CB GLN A 30 4.070 10.118 36.606 1.00 0.00 C ATOM 1268 CG GLN A 30 4.091 10.419 38.107 1.00 0.00 C ATOM 1269 CD GLN A 30 3.282 9.358 38.855 1.00 0.00 C ATOM 1270 OE1 GLN A 30 3.100 9.448 40.053 1.00 0.00 O ATOM 1271 NE2 GLN A 30 2.786 8.349 38.194 1.00 0.00 N ATOM 0 H GLN A 30 2.943 12.348 36.163 1.00 0.00 H new ATOM 0 HA GLN A 30 5.753 11.416 36.264 1.00 0.00 H new ATOM 0 HB2 GLN A 30 3.043 10.003 36.260 1.00 0.00 H new ATOM 0 HB3 GLN A 30 4.581 9.176 36.405 1.00 0.00 H new ATOM 0 HG2 GLN A 30 5.118 10.431 38.471 1.00 0.00 H new ATOM 0 HG3 GLN A 30 3.674 11.408 38.296 1.00 0.00 H new ATOM 0 HE21 GLN A 30 2.939 8.273 37.188 1.00 0.00 H new ATOM 0 HE22 GLN A 30 2.245 7.635 38.683 1.00 0.00 H new ATOM 1280 N PRO A 31 6.013 10.507 33.881 1.00 0.00 N ATOM 1281 CA PRO A 31 6.192 10.157 32.439 1.00 0.00 C ATOM 1282 C PRO A 31 5.492 8.845 32.062 1.00 0.00 C ATOM 1283 O PRO A 31 5.488 7.889 32.811 1.00 0.00 O ATOM 1284 CB PRO A 31 7.714 10.034 32.283 1.00 0.00 C ATOM 1285 CG PRO A 31 8.207 9.651 33.640 1.00 0.00 C ATOM 1286 CD PRO A 31 7.268 10.332 34.638 1.00 0.00 C ATOM 0 HA PRO A 31 5.749 10.904 31.781 1.00 0.00 H new ATOM 0 HB2 PRO A 31 7.976 9.281 31.540 1.00 0.00 H new ATOM 0 HB3 PRO A 31 8.155 10.974 31.953 1.00 0.00 H new ATOM 0 HG2 PRO A 31 8.194 8.569 33.769 1.00 0.00 H new ATOM 0 HG3 PRO A 31 9.236 9.978 33.788 1.00 0.00 H new ATOM 0 HD2 PRO A 31 7.117 9.719 35.527 1.00 0.00 H new ATOM 0 HD3 PRO A 31 7.668 11.288 34.975 1.00 0.00 H new ATOM 1294 N LEU A 32 4.906 8.803 30.894 1.00 0.00 N ATOM 1295 CA LEU A 32 4.202 7.568 30.432 1.00 0.00 C ATOM 1296 C LEU A 32 4.498 7.346 28.948 1.00 0.00 C ATOM 1297 O LEU A 32 4.622 8.285 28.186 1.00 0.00 O ATOM 1298 CB LEU A 32 2.689 7.739 30.612 1.00 0.00 C ATOM 1299 CG LEU A 32 2.334 7.900 32.096 1.00 0.00 C ATOM 1300 CD1 LEU A 32 0.863 8.307 32.219 1.00 0.00 C ATOM 1301 CD2 LEU A 32 2.564 6.579 32.848 1.00 0.00 C ATOM 0 H LEU A 32 4.885 9.580 30.233 1.00 0.00 H new ATOM 0 HA LEU A 32 4.549 6.716 31.017 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.348 8.611 30.055 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.169 6.874 30.200 1.00 0.00 H new ATOM 0 HG LEU A 32 2.972 8.668 32.533 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.604 8.423 33.271 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.702 9.252 31.700 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.234 7.536 31.774 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.308 6.709 33.899 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.936 5.800 32.415 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.611 6.290 32.763 1.00 0.00 H new ATOM 1313 N CYS A 33 4.592 6.115 28.520 1.00 0.00 N ATOM 1314 CA CYS A 33 4.857 5.858 27.078 1.00 0.00 C ATOM 1315 C CYS A 33 3.575 6.139 26.295 1.00 0.00 C ATOM 1316 O CYS A 33 2.569 6.518 26.862 1.00 0.00 O ATOM 1317 CB CYS A 33 5.324 4.412 26.867 1.00 0.00 C ATOM 1318 SG CYS A 33 3.971 3.247 27.146 1.00 0.00 S ATOM 0 H CYS A 33 4.497 5.283 29.103 1.00 0.00 H new ATOM 0 HA CYS A 33 5.653 6.512 26.722 1.00 0.00 H new ATOM 0 HB2 CYS A 33 5.707 4.294 25.853 1.00 0.00 H new ATOM 0 HB3 CYS A 33 6.147 4.189 27.546 1.00 0.00 H new ATOM 0 HG CYS A 33 4.383 2.278 27.909 1.00 0.00 H new ATOM 1323 N ASN A 34 3.593 5.986 25.000 1.00 0.00 N ATOM 1324 CA ASN A 34 2.361 6.281 24.219 1.00 0.00 C ATOM 1325 C ASN A 34 1.278 5.236 24.506 1.00 0.00 C ATOM 1326 O ASN A 34 0.113 5.561 24.614 1.00 0.00 O ATOM 1327 CB ASN A 34 2.690 6.299 22.722 1.00 0.00 C ATOM 1328 CG ASN A 34 3.134 4.909 22.261 1.00 0.00 C ATOM 1329 OD1 ASN A 34 2.910 4.535 21.127 1.00 0.00 O ATOM 1330 ND2 ASN A 34 3.767 4.127 23.091 1.00 0.00 N ATOM 0 H ASN A 34 4.397 5.674 24.455 1.00 0.00 H new ATOM 0 HA ASN A 34 1.983 7.259 24.517 1.00 0.00 H new ATOM 0 HB2 ASN A 34 1.815 6.616 22.154 1.00 0.00 H new ATOM 0 HB3 ASN A 34 3.479 7.025 22.524 1.00 0.00 H new ATOM 0 HD21 ASN A 34 4.073 3.203 22.788 1.00 0.00 H new ATOM 0 HD22 ASN A 34 3.956 4.440 24.043 1.00 0.00 H new ATOM 1337 N ALA A 35 1.636 3.985 24.617 1.00 0.00 N ATOM 1338 CA ALA A 35 0.603 2.939 24.880 1.00 0.00 C ATOM 1339 C ALA A 35 -0.067 3.141 26.251 1.00 0.00 C ATOM 1340 O ALA A 35 -1.277 3.202 26.344 1.00 0.00 O ATOM 1341 CB ALA A 35 1.252 1.556 24.810 1.00 0.00 C ATOM 0 H ALA A 35 2.593 3.642 24.538 1.00 0.00 H new ATOM 0 HA ALA A 35 -0.172 3.022 24.118 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.500 0.791 25.002 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.679 1.404 23.819 1.00 0.00 H new ATOM 0 HB3 ALA A 35 2.040 1.486 25.560 1.00 0.00 H new ATOM 1347 N CYS A 36 0.687 3.234 27.320 1.00 0.00 N ATOM 1348 CA CYS A 36 0.042 3.416 28.660 1.00 0.00 C ATOM 1349 C CYS A 36 -0.835 4.666 28.638 1.00 0.00 C ATOM 1350 O CYS A 36 -1.935 4.677 29.154 1.00 0.00 O ATOM 1351 CB CYS A 36 1.101 3.605 29.750 1.00 0.00 C ATOM 1352 SG CYS A 36 2.000 2.063 30.035 1.00 0.00 S ATOM 0 H CYS A 36 1.706 3.193 27.325 1.00 0.00 H new ATOM 0 HA CYS A 36 -0.551 2.527 28.873 1.00 0.00 H new ATOM 0 HB2 CYS A 36 1.798 4.390 29.456 1.00 0.00 H new ATOM 0 HB3 CYS A 36 0.625 3.931 30.675 1.00 0.00 H new ATOM 0 HG CYS A 36 3.240 2.330 30.321 1.00 0.00 H new ATOM 1357 N GLY A 37 -0.348 5.721 28.049 1.00 0.00 N ATOM 1358 CA GLY A 37 -1.146 6.976 28.000 1.00 0.00 C ATOM 1359 C GLY A 37 -2.456 6.721 27.258 1.00 0.00 C ATOM 1360 O GLY A 37 -3.522 7.078 27.719 1.00 0.00 O ATOM 0 H GLY A 37 0.567 5.769 27.600 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.351 7.328 29.011 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.579 7.760 27.499 1.00 0.00 H new ATOM 1364 N LEU A 38 -2.388 6.111 26.108 1.00 0.00 N ATOM 1365 CA LEU A 38 -3.632 5.840 25.337 1.00 0.00 C ATOM 1366 C LEU A 38 -4.488 4.795 26.057 1.00 0.00 C ATOM 1367 O LEU A 38 -5.680 4.963 26.223 1.00 0.00 O ATOM 1368 CB LEU A 38 -3.255 5.301 23.956 1.00 0.00 C ATOM 1369 CG LEU A 38 -2.498 6.367 23.155 1.00 0.00 C ATOM 1370 CD1 LEU A 38 -1.861 5.703 21.933 1.00 0.00 C ATOM 1371 CD2 LEU A 38 -3.457 7.471 22.686 1.00 0.00 C ATOM 0 H LEU A 38 -1.525 5.789 25.669 1.00 0.00 H new ATOM 0 HA LEU A 38 -4.200 6.766 25.244 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.637 4.410 24.063 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.154 5.002 23.417 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.733 6.814 23.789 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.319 6.451 21.354 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -1.170 4.926 22.260 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.640 5.258 21.313 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.902 8.219 22.119 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -4.230 7.036 22.053 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.920 7.943 23.553 1.00 0.00 H new ATOM 1383 N PHE A 39 -3.898 3.701 26.456 1.00 0.00 N ATOM 1384 CA PHE A 39 -4.688 2.630 27.130 1.00 0.00 C ATOM 1385 C PHE A 39 -5.148 3.056 28.526 1.00 0.00 C ATOM 1386 O PHE A 39 -6.306 2.928 28.871 1.00 0.00 O ATOM 1387 CB PHE A 39 -3.831 1.373 27.275 1.00 0.00 C ATOM 1388 CG PHE A 39 -4.655 0.299 27.944 1.00 0.00 C ATOM 1389 CD1 PHE A 39 -4.690 0.211 29.342 1.00 0.00 C ATOM 1390 CD2 PHE A 39 -5.405 -0.593 27.169 1.00 0.00 C ATOM 1391 CE1 PHE A 39 -5.471 -0.770 29.963 1.00 0.00 C ATOM 1392 CE2 PHE A 39 -6.189 -1.573 27.790 1.00 0.00 C ATOM 1393 CZ PHE A 39 -6.221 -1.661 29.186 1.00 0.00 C ATOM 0 H PHE A 39 -2.904 3.502 26.345 1.00 0.00 H new ATOM 0 HA PHE A 39 -5.566 2.437 26.513 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -3.490 1.033 26.297 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -2.941 1.589 27.866 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -4.114 0.901 29.941 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -5.379 -0.525 26.091 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -5.495 -0.840 31.040 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -6.769 -2.260 27.192 1.00 0.00 H new ATOM 0 HZ PHE A 39 -6.825 -2.417 29.665 1.00 0.00 H new ATOM 1403 N LEU A 40 -4.247 3.511 29.350 1.00 0.00 N ATOM 1404 CA LEU A 40 -4.638 3.882 30.740 1.00 0.00 C ATOM 1405 C LEU A 40 -5.697 4.989 30.718 1.00 0.00 C ATOM 1406 O LEU A 40 -6.704 4.905 31.392 1.00 0.00 O ATOM 1407 CB LEU A 40 -3.395 4.355 31.503 1.00 0.00 C ATOM 1408 CG LEU A 40 -3.701 4.480 33.004 1.00 0.00 C ATOM 1409 CD1 LEU A 40 -3.895 3.089 33.637 1.00 0.00 C ATOM 1410 CD2 LEU A 40 -2.530 5.190 33.691 1.00 0.00 C ATOM 0 H LEU A 40 -3.261 3.642 29.124 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.063 3.011 31.240 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.577 3.651 31.350 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -3.065 5.317 31.112 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.620 5.052 33.133 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.111 3.200 34.700 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.726 2.580 33.149 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.985 2.502 33.511 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.737 5.284 34.757 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.618 4.610 33.548 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.401 6.182 33.257 1.00 0.00 H new ATOM 1422 N LYS A 41 -5.479 6.028 29.962 1.00 0.00 N ATOM 1423 CA LYS A 41 -6.475 7.138 29.915 1.00 0.00 C ATOM 1424 C LYS A 41 -7.819 6.626 29.384 1.00 0.00 C ATOM 1425 O LYS A 41 -8.867 6.937 29.916 1.00 0.00 O ATOM 1426 CB LYS A 41 -5.953 8.239 28.990 1.00 0.00 C ATOM 1427 CG LYS A 41 -6.837 9.480 29.115 1.00 0.00 C ATOM 1428 CD LYS A 41 -6.331 10.558 28.154 1.00 0.00 C ATOM 1429 CE LYS A 41 -7.046 11.879 28.441 1.00 0.00 C ATOM 1430 NZ LYS A 41 -8.515 11.697 28.276 1.00 0.00 N ATOM 0 H LYS A 41 -4.655 6.158 29.374 1.00 0.00 H new ATOM 0 HA LYS A 41 -6.620 7.530 30.922 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.923 8.487 29.249 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -5.947 7.888 27.958 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -7.872 9.228 28.885 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -6.819 9.852 30.139 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -5.254 10.684 28.267 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -6.510 10.253 27.123 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -6.822 12.213 29.454 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -6.687 12.654 27.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -8.976 12.628 28.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -8.703 11.163 27.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -8.894 11.173 29.091 1.00 0.00 H new ATOM 1444 N LEU A 42 -7.799 5.862 28.325 1.00 0.00 N ATOM 1445 CA LEU A 42 -9.077 5.352 27.748 1.00 0.00 C ATOM 1446 C LEU A 42 -9.707 4.312 28.680 1.00 0.00 C ATOM 1447 O LEU A 42 -10.911 4.263 28.840 1.00 0.00 O ATOM 1448 CB LEU A 42 -8.804 4.694 26.388 1.00 0.00 C ATOM 1449 CG LEU A 42 -8.369 5.741 25.353 1.00 0.00 C ATOM 1450 CD1 LEU A 42 -7.870 5.022 24.096 1.00 0.00 C ATOM 1451 CD2 LEU A 42 -9.546 6.658 24.980 1.00 0.00 C ATOM 0 H LEU A 42 -6.954 5.569 27.835 1.00 0.00 H new ATOM 0 HA LEU A 42 -9.761 6.192 27.628 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -8.027 3.937 26.495 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -9.701 4.183 26.040 1.00 0.00 H new ATOM 0 HG LEU A 42 -7.574 6.352 25.781 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -7.559 5.758 23.355 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -7.023 4.385 24.353 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -8.672 4.410 23.684 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -9.216 7.393 24.245 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -10.354 6.060 24.558 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -9.904 7.172 25.872 1.00 0.00 H new ATOM 1463 N HIS A 43 -8.915 3.456 29.270 1.00 0.00 N ATOM 1464 CA HIS A 43 -9.485 2.392 30.151 1.00 0.00 C ATOM 1465 C HIS A 43 -9.728 2.900 31.576 1.00 0.00 C ATOM 1466 O HIS A 43 -10.766 2.643 32.154 1.00 0.00 O ATOM 1467 CB HIS A 43 -8.509 1.215 30.191 1.00 0.00 C ATOM 1468 CG HIS A 43 -8.550 0.497 28.869 1.00 0.00 C ATOM 1469 ND1 HIS A 43 -7.987 1.029 27.721 1.00 0.00 N ATOM 1470 CD2 HIS A 43 -9.099 -0.705 28.496 1.00 0.00 C ATOM 1471 CE1 HIS A 43 -8.209 0.159 26.720 1.00 0.00 C ATOM 1472 NE2 HIS A 43 -8.883 -0.916 27.138 1.00 0.00 N ATOM 0 H HIS A 43 -7.899 3.447 29.181 1.00 0.00 H new ATOM 0 HA HIS A 43 -10.447 2.086 29.741 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -7.499 1.571 30.395 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -8.776 0.533 30.998 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -7.494 1.919 27.648 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -9.619 -1.383 29.156 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -7.882 0.311 25.702 1.00 0.00 H new ATOM 1480 N GLY A 44 -8.807 3.616 32.159 1.00 0.00 N ATOM 1481 CA GLY A 44 -9.032 4.120 33.544 1.00 0.00 C ATOM 1482 C GLY A 44 -8.935 2.984 34.570 1.00 0.00 C ATOM 1483 O GLY A 44 -9.224 3.179 35.734 1.00 0.00 O ATOM 0 H GLY A 44 -7.913 3.873 31.740 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -8.296 4.889 33.778 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -10.014 4.589 33.608 1.00 0.00 H new ATOM 1487 N VAL A 45 -8.537 1.801 34.167 1.00 0.00 N ATOM 1488 CA VAL A 45 -8.434 0.672 35.148 1.00 0.00 C ATOM 1489 C VAL A 45 -7.198 -0.180 34.853 1.00 0.00 C ATOM 1490 O VAL A 45 -6.814 -0.370 33.716 1.00 0.00 O ATOM 1491 CB VAL A 45 -9.685 -0.203 35.061 1.00 0.00 C ATOM 1492 CG1 VAL A 45 -10.903 0.611 35.499 1.00 0.00 C ATOM 1493 CG2 VAL A 45 -9.885 -0.679 33.620 1.00 0.00 C ATOM 0 H VAL A 45 -8.280 1.568 33.208 1.00 0.00 H new ATOM 0 HA VAL A 45 -8.346 1.089 36.151 1.00 0.00 H new ATOM 0 HB VAL A 45 -9.566 -1.068 35.713 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -11.797 -0.010 35.438 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -10.765 0.948 36.526 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -11.017 1.476 34.845 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -10.778 -1.302 33.563 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -10.003 0.184 32.965 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -9.017 -1.258 33.304 1.00 0.00 H new ATOM 1503 N VAL A 46 -6.569 -0.684 35.881 1.00 0.00 N ATOM 1504 CA VAL A 46 -5.349 -1.518 35.687 1.00 0.00 C ATOM 1505 C VAL A 46 -5.644 -2.693 34.754 1.00 0.00 C ATOM 1506 O VAL A 46 -6.731 -3.237 34.729 1.00 0.00 O ATOM 1507 CB VAL A 46 -4.865 -2.056 37.036 1.00 0.00 C ATOM 1508 CG1 VAL A 46 -4.466 -0.888 37.940 1.00 0.00 C ATOM 1509 CG2 VAL A 46 -5.983 -2.858 37.706 1.00 0.00 C ATOM 0 H VAL A 46 -6.850 -0.552 36.853 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.575 -0.894 35.240 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.003 -2.704 36.874 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.122 -1.272 38.900 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.665 -0.320 37.468 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.327 -0.239 38.097 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -5.633 -3.238 38.666 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -6.848 -2.214 37.865 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -6.265 -3.694 37.066 1.00 0.00 H new ATOM 1519 N ARG A 47 -4.662 -3.088 33.993 1.00 0.00 N ATOM 1520 CA ARG A 47 -4.826 -4.232 33.052 1.00 0.00 C ATOM 1521 C ARG A 47 -3.466 -4.938 32.957 1.00 0.00 C ATOM 1522 O ARG A 47 -2.458 -4.275 32.819 1.00 0.00 O ATOM 1523 CB ARG A 47 -5.234 -3.682 31.677 1.00 0.00 C ATOM 1524 CG ARG A 47 -5.467 -4.822 30.670 1.00 0.00 C ATOM 1525 CD ARG A 47 -6.874 -5.422 30.843 1.00 0.00 C ATOM 1526 NE ARG A 47 -7.782 -4.814 29.828 1.00 0.00 N ATOM 1527 CZ ARG A 47 -8.966 -5.318 29.612 1.00 0.00 C ATOM 1528 NH1 ARG A 47 -9.378 -6.343 30.307 1.00 0.00 N ATOM 1529 NH2 ARG A 47 -9.741 -4.791 28.703 1.00 0.00 N ATOM 0 H ARG A 47 -3.737 -2.659 33.983 1.00 0.00 H new ATOM 0 HA ARG A 47 -5.591 -4.929 33.393 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -6.143 -3.088 31.775 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -4.456 -3.016 31.303 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -5.349 -4.446 29.654 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -4.715 -5.598 30.812 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -6.841 -6.505 30.720 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -7.247 -5.227 31.848 1.00 0.00 H new ATOM 0 HE ARG A 47 -7.475 -3.998 29.299 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -8.774 -6.751 31.020 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -10.304 -6.736 30.137 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -9.420 -3.987 28.163 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -10.667 -5.183 28.532 1.00 0.00 H new ATOM 1543 N PRO A 48 -3.409 -6.251 33.039 1.00 0.00 N ATOM 1544 CA PRO A 48 -2.121 -6.996 32.966 1.00 0.00 C ATOM 1545 C PRO A 48 -1.077 -6.308 32.081 1.00 0.00 C ATOM 1546 O PRO A 48 -1.133 -6.374 30.869 1.00 0.00 O ATOM 1547 CB PRO A 48 -2.549 -8.331 32.369 1.00 0.00 C ATOM 1548 CG PRO A 48 -3.911 -8.575 32.947 1.00 0.00 C ATOM 1549 CD PRO A 48 -4.537 -7.191 33.212 1.00 0.00 C ATOM 0 HA PRO A 48 -1.632 -7.073 33.937 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -2.581 -8.288 31.280 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -1.855 -9.127 32.637 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -4.526 -9.152 32.256 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -3.842 -9.151 33.870 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -5.345 -6.978 32.513 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -4.959 -7.129 34.215 1.00 0.00 H new ATOM 1557 N LEU A 49 -0.114 -5.665 32.682 1.00 0.00 N ATOM 1558 CA LEU A 49 0.942 -4.994 31.874 1.00 0.00 C ATOM 1559 C LEU A 49 1.644 -6.058 31.031 1.00 0.00 C ATOM 1560 O LEU A 49 2.386 -5.755 30.117 1.00 0.00 O ATOM 1561 CB LEU A 49 1.962 -4.302 32.786 1.00 0.00 C ATOM 1562 CG LEU A 49 1.292 -3.190 33.610 1.00 0.00 C ATOM 1563 CD1 LEU A 49 2.296 -2.654 34.641 1.00 0.00 C ATOM 1564 CD2 LEU A 49 0.837 -2.041 32.694 1.00 0.00 C ATOM 0 H LEU A 49 -0.013 -5.576 33.693 1.00 0.00 H new ATOM 0 HA LEU A 49 0.489 -4.236 31.235 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.414 -5.034 33.455 1.00 0.00 H new ATOM 0 HB3 LEU A 49 2.767 -3.880 32.184 1.00 0.00 H new ATOM 0 HG LEU A 49 0.418 -3.600 34.116 1.00 0.00 H new ATOM 0 HD11 LEU A 49 1.827 -1.865 35.229 1.00 0.00 H new ATOM 0 HD12 LEU A 49 2.606 -3.463 35.302 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.168 -2.253 34.125 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.365 -1.263 33.294 1.00 0.00 H new ATOM 0 HD22 LEU A 49 1.701 -1.625 32.175 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.122 -2.419 31.963 1.00 0.00 H new ATOM 1576 N SER A 50 1.414 -7.307 31.336 1.00 0.00 N ATOM 1577 CA SER A 50 2.070 -8.394 30.558 1.00 0.00 C ATOM 1578 C SER A 50 1.767 -8.190 29.074 1.00 0.00 C ATOM 1579 O SER A 50 2.329 -8.846 28.221 1.00 0.00 O ATOM 1580 CB SER A 50 1.531 -9.754 31.008 1.00 0.00 C ATOM 1581 OG SER A 50 1.943 -10.751 30.082 1.00 0.00 O ATOM 0 H SER A 50 0.801 -7.620 32.089 1.00 0.00 H new ATOM 0 HA SER A 50 3.147 -8.367 30.726 1.00 0.00 H new ATOM 0 HB2 SER A 50 1.900 -9.993 32.005 1.00 0.00 H new ATOM 0 HB3 SER A 50 0.443 -9.725 31.069 1.00 0.00 H new ATOM 0 HG SER A 50 2.349 -10.323 29.300 1.00 0.00 H new ATOM 1587 N LEU A 51 0.899 -7.267 28.757 1.00 0.00 N ATOM 1588 CA LEU A 51 0.588 -7.008 27.322 1.00 0.00 C ATOM 1589 C LEU A 51 1.756 -6.233 26.712 1.00 0.00 C ATOM 1590 O LEU A 51 2.164 -6.474 25.593 1.00 0.00 O ATOM 1591 CB LEU A 51 -0.665 -6.137 27.216 1.00 0.00 C ATOM 1592 CG LEU A 51 -1.870 -6.834 27.863 1.00 0.00 C ATOM 1593 CD1 LEU A 51 -2.926 -5.781 28.207 1.00 0.00 C ATOM 1594 CD2 LEU A 51 -2.485 -7.846 26.889 1.00 0.00 C ATOM 0 H LEU A 51 0.395 -6.684 29.425 1.00 0.00 H new ATOM 0 HA LEU A 51 0.427 -7.954 26.804 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.489 -5.178 27.703 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.880 -5.927 26.168 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.539 -7.355 28.762 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -3.787 -6.266 28.667 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.503 -5.055 28.902 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.241 -5.271 27.297 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.338 -8.333 27.361 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.815 -7.329 25.988 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.740 -8.596 26.625 1.00 0.00 H new ATOM 1606 N LYS A 52 2.296 -5.303 27.451 1.00 0.00 N ATOM 1607 CA LYS A 52 3.440 -4.492 26.942 1.00 0.00 C ATOM 1608 C LYS A 52 4.479 -5.403 26.289 1.00 0.00 C ATOM 1609 O LYS A 52 4.576 -6.575 26.592 1.00 0.00 O ATOM 1610 CB LYS A 52 4.073 -3.747 28.126 1.00 0.00 C ATOM 1611 CG LYS A 52 5.354 -2.991 27.697 1.00 0.00 C ATOM 1612 CD LYS A 52 6.615 -3.804 28.036 1.00 0.00 C ATOM 1613 CE LYS A 52 7.854 -2.918 27.889 1.00 0.00 C ATOM 1614 NZ LYS A 52 7.899 -2.342 26.516 1.00 0.00 N ATOM 0 H LYS A 52 1.991 -5.068 28.395 1.00 0.00 H new ATOM 0 HA LYS A 52 3.086 -3.780 26.197 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.353 -3.041 28.540 1.00 0.00 H new ATOM 0 HB3 LYS A 52 4.315 -4.457 28.917 1.00 0.00 H new ATOM 0 HG2 LYS A 52 5.322 -2.793 26.626 1.00 0.00 H new ATOM 0 HG3 LYS A 52 5.395 -2.024 28.199 1.00 0.00 H new ATOM 0 HD2 LYS A 52 6.549 -4.188 29.054 1.00 0.00 H new ATOM 0 HD3 LYS A 52 6.692 -4.667 27.374 1.00 0.00 H new ATOM 0 HE2 LYS A 52 7.831 -2.118 28.629 1.00 0.00 H new ATOM 0 HE3 LYS A 52 8.755 -3.502 28.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 8.874 -2.379 26.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 7.277 -2.891 25.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 7.577 -1.353 26.544 1.00 0.00 H new ATOM 1628 N THR A 53 5.276 -4.857 25.409 1.00 0.00 N ATOM 1629 CA THR A 53 6.339 -5.661 24.742 1.00 0.00 C ATOM 1630 C THR A 53 7.535 -4.758 24.454 1.00 0.00 C ATOM 1631 O THR A 53 7.430 -3.547 24.473 1.00 0.00 O ATOM 1632 CB THR A 53 5.818 -6.244 23.428 1.00 0.00 C ATOM 1633 OG1 THR A 53 6.918 -6.665 22.632 1.00 0.00 O ATOM 1634 CG2 THR A 53 5.011 -5.185 22.673 1.00 0.00 C ATOM 0 H THR A 53 5.235 -3.879 25.122 1.00 0.00 H new ATOM 0 HA THR A 53 6.634 -6.480 25.398 1.00 0.00 H new ATOM 0 HB THR A 53 5.173 -7.097 23.641 1.00 0.00 H new ATOM 0 HG1 THR A 53 6.587 -7.041 21.790 1.00 0.00 H new ATOM 0 HG21 THR A 53 4.643 -5.607 21.738 1.00 0.00 H new ATOM 0 HG22 THR A 53 4.167 -4.866 23.285 1.00 0.00 H new ATOM 0 HG23 THR A 53 5.648 -4.327 22.458 1.00 0.00 H new ATOM 1642 N ASP A 54 8.672 -5.334 24.186 1.00 0.00 N ATOM 1643 CA ASP A 54 9.881 -4.509 23.898 1.00 0.00 C ATOM 1644 C ASP A 54 9.968 -4.291 22.388 1.00 0.00 C ATOM 1645 O ASP A 54 10.871 -3.648 21.889 1.00 0.00 O ATOM 1646 CB ASP A 54 11.128 -5.256 24.374 1.00 0.00 C ATOM 1647 CG ASP A 54 11.152 -5.291 25.904 1.00 0.00 C ATOM 1648 OD1 ASP A 54 10.469 -4.480 26.507 1.00 0.00 O ATOM 1649 OD2 ASP A 54 11.857 -6.127 26.446 1.00 0.00 O ATOM 0 H ASP A 54 8.819 -6.343 24.153 1.00 0.00 H new ATOM 0 HA ASP A 54 9.815 -3.551 24.414 1.00 0.00 H new ATOM 0 HB2 ASP A 54 11.130 -6.271 23.977 1.00 0.00 H new ATOM 0 HB3 ASP A 54 12.025 -4.764 23.997 1.00 0.00 H new ATOM 1654 N VAL A 55 9.018 -4.823 21.665 1.00 0.00 N ATOM 1655 CA VAL A 55 8.990 -4.670 20.180 1.00 0.00 C ATOM 1656 C VAL A 55 7.723 -3.906 19.792 1.00 0.00 C ATOM 1657 O VAL A 55 6.647 -4.190 20.281 1.00 0.00 O ATOM 1658 CB VAL A 55 8.965 -6.055 19.531 1.00 0.00 C ATOM 1659 CG1 VAL A 55 8.962 -5.909 18.007 1.00 0.00 C ATOM 1660 CG2 VAL A 55 10.201 -6.845 19.967 1.00 0.00 C ATOM 0 H VAL A 55 8.246 -5.368 22.049 1.00 0.00 H new ATOM 0 HA VAL A 55 9.872 -4.127 19.842 1.00 0.00 H new ATOM 0 HB VAL A 55 8.066 -6.585 19.844 1.00 0.00 H new ATOM 0 HG11 VAL A 55 8.944 -6.897 17.547 1.00 0.00 H new ATOM 0 HG12 VAL A 55 8.080 -5.348 17.697 1.00 0.00 H new ATOM 0 HG13 VAL A 55 9.860 -5.378 17.691 1.00 0.00 H new ATOM 0 HG21 VAL A 55 10.184 -7.832 19.505 1.00 0.00 H new ATOM 0 HG22 VAL A 55 11.101 -6.314 19.656 1.00 0.00 H new ATOM 0 HG23 VAL A 55 10.200 -6.952 21.052 1.00 0.00 H new ATOM 1670 N ILE A 56 7.841 -2.946 18.910 1.00 0.00 N ATOM 1671 CA ILE A 56 6.647 -2.159 18.468 1.00 0.00 C ATOM 1672 C ILE A 56 6.316 -2.505 17.018 1.00 0.00 C ATOM 1673 O ILE A 56 7.168 -2.479 16.153 1.00 0.00 O ATOM 1674 CB ILE A 56 6.934 -0.661 18.564 1.00 0.00 C ATOM 1675 CG1 ILE A 56 7.262 -0.299 20.012 1.00 0.00 C ATOM 1676 CG2 ILE A 56 5.699 0.120 18.111 1.00 0.00 C ATOM 1677 CD1 ILE A 56 7.783 1.138 20.072 1.00 0.00 C ATOM 0 H ILE A 56 8.721 -2.671 18.473 1.00 0.00 H new ATOM 0 HA ILE A 56 5.806 -2.408 19.115 1.00 0.00 H new ATOM 0 HB ILE A 56 7.781 -0.408 17.926 1.00 0.00 H new ATOM 0 HG12 ILE A 56 6.373 -0.401 20.634 1.00 0.00 H new ATOM 0 HG13 ILE A 56 8.010 -0.985 20.409 1.00 0.00 H new ATOM 0 HG21 ILE A 56 5.900 1.189 18.178 1.00 0.00 H new ATOM 0 HG22 ILE A 56 5.462 -0.141 17.080 1.00 0.00 H new ATOM 0 HG23 ILE A 56 4.854 -0.131 18.752 1.00 0.00 H new ATOM 0 HD11 ILE A 56 8.017 1.397 21.104 1.00 0.00 H new ATOM 0 HD12 ILE A 56 8.683 1.224 19.463 1.00 0.00 H new ATOM 0 HD13 ILE A 56 7.021 1.818 19.691 1.00 0.00 H new ATOM 1689 N LYS A 57 5.082 -2.818 16.742 1.00 0.00 N ATOM 1690 CA LYS A 57 4.705 -3.153 15.344 1.00 0.00 C ATOM 1691 C LYS A 57 4.527 -1.854 14.561 1.00 0.00 C ATOM 1692 O LYS A 57 3.832 -0.952 14.984 1.00 0.00 O ATOM 1693 CB LYS A 57 3.386 -3.926 15.337 1.00 0.00 C ATOM 1694 CG LYS A 57 3.128 -4.471 13.927 1.00 0.00 C ATOM 1695 CD LYS A 57 1.718 -5.075 13.831 1.00 0.00 C ATOM 1696 CE LYS A 57 1.714 -6.510 14.369 1.00 0.00 C ATOM 1697 NZ LYS A 57 2.390 -7.407 13.389 1.00 0.00 N ATOM 0 H LYS A 57 4.322 -2.856 17.421 1.00 0.00 H new ATOM 0 HA LYS A 57 5.484 -3.765 14.890 1.00 0.00 H new ATOM 0 HB2 LYS A 57 3.427 -4.745 16.055 1.00 0.00 H new ATOM 0 HB3 LYS A 57 2.567 -3.275 15.643 1.00 0.00 H new ATOM 0 HG2 LYS A 57 3.237 -3.670 13.196 1.00 0.00 H new ATOM 0 HG3 LYS A 57 3.872 -5.229 13.682 1.00 0.00 H new ATOM 0 HD2 LYS A 57 1.015 -4.465 14.398 1.00 0.00 H new ATOM 0 HD3 LYS A 57 1.382 -5.068 12.794 1.00 0.00 H new ATOM 0 HE2 LYS A 57 2.226 -6.551 15.330 1.00 0.00 H new ATOM 0 HE3 LYS A 57 0.690 -6.844 14.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 2.091 -8.389 13.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 2.130 -7.124 12.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 3.421 -7.335 13.506 1.00 0.00 H new ATOM 1711 N LYS A 58 5.143 -1.753 13.417 1.00 0.00 N ATOM 1712 CA LYS A 58 4.999 -0.516 12.601 1.00 0.00 C ATOM 1713 C LYS A 58 3.724 -0.641 11.765 1.00 0.00 C ATOM 1714 O LYS A 58 3.551 -1.587 11.023 1.00 0.00 O ATOM 1715 CB LYS A 58 6.217 -0.372 11.681 1.00 0.00 C ATOM 1716 CG LYS A 58 7.404 0.206 12.461 1.00 0.00 C ATOM 1717 CD LYS A 58 7.921 -0.828 13.465 1.00 0.00 C ATOM 1718 CE LYS A 58 9.276 -0.374 14.009 1.00 0.00 C ATOM 1719 NZ LYS A 58 10.259 -0.291 12.891 1.00 0.00 N ATOM 0 H LYS A 58 5.740 -2.474 13.012 1.00 0.00 H new ATOM 0 HA LYS A 58 4.937 0.362 13.243 1.00 0.00 H new ATOM 0 HB2 LYS A 58 6.484 -1.343 11.265 1.00 0.00 H new ATOM 0 HB3 LYS A 58 5.973 0.279 10.841 1.00 0.00 H new ATOM 0 HG2 LYS A 58 8.201 0.487 11.772 1.00 0.00 H new ATOM 0 HG3 LYS A 58 7.100 1.113 12.984 1.00 0.00 H new ATOM 0 HD2 LYS A 58 7.209 -0.945 14.282 1.00 0.00 H new ATOM 0 HD3 LYS A 58 8.017 -1.801 12.984 1.00 0.00 H new ATOM 0 HE2 LYS A 58 9.178 0.597 14.494 1.00 0.00 H new ATOM 0 HE3 LYS A 58 9.629 -1.074 14.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 11.216 -0.472 13.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 10.024 -1.001 12.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 10.224 0.658 12.468 1.00 0.00 H new ATOM 1733 N ARG A 59 2.816 0.290 11.892 1.00 0.00 N ATOM 1734 CA ARG A 59 1.542 0.202 11.119 1.00 0.00 C ATOM 1735 C ARG A 59 1.680 1.000 9.822 1.00 0.00 C ATOM 1736 O ARG A 59 2.693 1.621 9.566 1.00 0.00 O ATOM 1737 CB ARG A 59 0.397 0.791 11.950 1.00 0.00 C ATOM 1738 CG ARG A 59 0.228 0.023 13.269 1.00 0.00 C ATOM 1739 CD ARG A 59 -0.399 -1.353 13.018 1.00 0.00 C ATOM 1740 NE ARG A 59 -0.816 -1.951 14.318 1.00 0.00 N ATOM 1741 CZ ARG A 59 -1.632 -2.971 14.333 1.00 0.00 C ATOM 1742 NH1 ARG A 59 -2.068 -3.474 13.210 1.00 0.00 N ATOM 1743 NH2 ARG A 59 -2.011 -3.489 15.470 1.00 0.00 N ATOM 0 H ARG A 59 2.901 1.107 12.497 1.00 0.00 H new ATOM 0 HA ARG A 59 1.329 -0.842 10.890 1.00 0.00 H new ATOM 0 HB2 ARG A 59 0.597 1.842 12.159 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -0.531 0.750 11.379 1.00 0.00 H new ATOM 0 HG2 ARG A 59 1.197 -0.096 13.753 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -0.400 0.596 13.951 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -1.260 -1.257 12.356 1.00 0.00 H new ATOM 0 HD3 ARG A 59 0.317 -2.005 12.518 1.00 0.00 H new ATOM 0 HE ARG A 59 -0.465 -1.565 15.194 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -1.771 -3.071 12.321 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -2.705 -4.270 13.221 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -1.670 -3.097 16.348 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -2.648 -4.285 15.480 1.00 0.00 H new ATOM 1757 N ASN A 60 0.682 0.955 8.986 1.00 0.00 N ATOM 1758 CA ASN A 60 0.759 1.672 7.684 1.00 0.00 C ATOM 1759 C ASN A 60 0.541 3.170 7.885 1.00 0.00 C ATOM 1760 O ASN A 60 0.456 3.658 8.995 1.00 0.00 O ATOM 1761 CB ASN A 60 -0.320 1.127 6.745 1.00 0.00 C ATOM 1762 CG ASN A 60 0.046 -0.295 6.320 1.00 0.00 C ATOM 1763 OD1 ASN A 60 1.207 -0.652 6.296 1.00 0.00 O ATOM 1764 ND2 ASN A 60 -0.899 -1.128 5.982 1.00 0.00 N ATOM 0 H ASN A 60 -0.189 0.449 9.150 1.00 0.00 H new ATOM 0 HA ASN A 60 1.747 1.515 7.252 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -1.288 1.131 7.245 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -0.412 1.768 5.868 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -0.663 -2.079 5.698 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -1.874 -0.829 6.002 1.00 0.00 H new