USER MOD reduce.3.24.130724 H: found=0, std=0, add=411, rem=0, adj=15 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 155:sc= 2.07 USER MOD Set 1.2: A 15 CYS SG : rot -56:sc= 0.251 USER MOD Set 1.3: A 17 THR OG1 : rot 96:sc= -0.754! USER MOD Set 1.4: A 33 CYS SG : rot -135:sc= 1.16 USER MOD Set 1.5: A 36 CYS SG : rot 145:sc= 0.182 USER MOD Set 2.1: A 20 THR OG1 : rot -123:sc= 0.00345 USER MOD Set 2.2: A 34 ASN : amide:sc= -3.09! C(o=-3.1!,f=-11!) USER MOD Single : A 11 THR OG1 : rot 45:sc= 0.0933 USER MOD Single : A 13 THR OG1 : rot -78:sc= 0.00445 USER MOD Single : A 14 ASN : amide:sc= -3.7! C(o=-3.7!,f=-4.4!) USER MOD Single : A 18 GLN : amide:sc= -0.189 X(o=-0.19,f=-0.19) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -1.28 X(o=-1.3,f=-0.97) USER MOD Single : A 30 GLN : amide:sc= -0.0777 K(o=-0.078,f=-0.99!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HE2:sc= -9.32! C(o=-9.3!,f=-11!) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 142:sc= 0.136 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 140:sc= -0.836 USER MOD Single : A 57 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.308) USER MOD Single : A 58 LYS NZ :NH3+ 161:sc= -0.0253 (180deg=-0.336) USER MOD Single : A 60 ASN : amide:sc= -0.0454 K(o=-0.045,f=-1.8!) USER MOD ----------------------------------------------------------------- ATOM 970 N THR A 11 12.093 6.619 31.299 1.00 0.00 N ATOM 971 CA THR A 11 11.554 5.225 31.351 1.00 0.00 C ATOM 972 C THR A 11 10.050 5.249 31.639 1.00 0.00 C ATOM 973 O THR A 11 9.582 5.986 32.482 1.00 0.00 O ATOM 974 CB THR A 11 12.268 4.476 32.481 1.00 0.00 C ATOM 975 OG1 THR A 11 13.660 4.424 32.210 1.00 0.00 O ATOM 976 CG2 THR A 11 11.716 3.056 32.596 1.00 0.00 C ATOM 0 HA THR A 11 11.721 4.732 30.394 1.00 0.00 H new ATOM 0 HB THR A 11 12.099 5.002 33.421 1.00 0.00 H new ATOM 0 HG1 THR A 11 13.970 5.307 31.919 1.00 0.00 H new ATOM 0 HG21 THR A 11 12.229 2.530 33.401 1.00 0.00 H new ATOM 0 HG22 THR A 11 10.648 3.097 32.812 1.00 0.00 H new ATOM 0 HG23 THR A 11 11.876 2.526 31.657 1.00 0.00 H new ATOM 984 N CYS A 12 9.289 4.433 30.955 1.00 0.00 N ATOM 985 CA CYS A 12 7.821 4.407 31.212 1.00 0.00 C ATOM 986 C CYS A 12 7.580 3.901 32.634 1.00 0.00 C ATOM 987 O CYS A 12 7.786 2.741 32.938 1.00 0.00 O ATOM 988 CB CYS A 12 7.123 3.483 30.214 1.00 0.00 C ATOM 989 SG CYS A 12 5.336 3.773 30.285 1.00 0.00 S ATOM 0 H CYS A 12 9.619 3.789 30.236 1.00 0.00 H new ATOM 0 HA CYS A 12 7.415 5.412 31.097 1.00 0.00 H new ATOM 0 HB2 CYS A 12 7.494 3.669 29.206 1.00 0.00 H new ATOM 0 HB3 CYS A 12 7.344 2.442 30.448 1.00 0.00 H new ATOM 0 HG CYS A 12 4.797 3.437 29.151 1.00 0.00 H new ATOM 994 N THR A 13 7.130 4.764 33.501 1.00 0.00 N ATOM 995 CA THR A 13 6.871 4.351 34.906 1.00 0.00 C ATOM 996 C THR A 13 5.759 3.302 34.942 1.00 0.00 C ATOM 997 O THR A 13 5.517 2.689 35.963 1.00 0.00 O ATOM 998 CB THR A 13 6.441 5.570 35.728 1.00 0.00 C ATOM 999 OG1 THR A 13 5.259 6.124 35.166 1.00 0.00 O ATOM 1000 CG2 THR A 13 7.555 6.618 35.715 1.00 0.00 C ATOM 0 H THR A 13 6.930 5.743 33.295 1.00 0.00 H new ATOM 0 HA THR A 13 7.783 3.927 35.327 1.00 0.00 H new ATOM 0 HB THR A 13 6.247 5.265 36.756 1.00 0.00 H new ATOM 0 HG1 THR A 13 5.489 6.647 34.370 1.00 0.00 H new ATOM 0 HG21 THR A 13 7.247 7.484 36.300 1.00 0.00 H new ATOM 0 HG22 THR A 13 8.461 6.192 36.147 1.00 0.00 H new ATOM 0 HG23 THR A 13 7.753 6.926 34.688 1.00 0.00 H new ATOM 1008 N ASN A 14 5.071 3.092 33.846 1.00 0.00 N ATOM 1009 CA ASN A 14 3.963 2.088 33.835 1.00 0.00 C ATOM 1010 C ASN A 14 4.408 0.763 33.203 1.00 0.00 C ATOM 1011 O ASN A 14 3.970 -0.284 33.628 1.00 0.00 O ATOM 1012 CB ASN A 14 2.785 2.645 33.028 1.00 0.00 C ATOM 1013 CG ASN A 14 2.048 3.706 33.848 1.00 0.00 C ATOM 1014 OD1 ASN A 14 2.392 3.960 34.987 1.00 0.00 O ATOM 1015 ND2 ASN A 14 1.033 4.330 33.318 1.00 0.00 N ATOM 0 H ASN A 14 5.229 3.572 32.960 1.00 0.00 H new ATOM 0 HA ASN A 14 3.672 1.898 34.868 1.00 0.00 H new ATOM 0 HB2 ASN A 14 3.145 3.079 32.095 1.00 0.00 H new ATOM 0 HB3 ASN A 14 2.101 1.839 32.762 1.00 0.00 H new ATOM 0 HD21 ASN A 14 0.527 5.032 33.858 1.00 0.00 H new ATOM 0 HD22 ASN A 14 0.745 4.117 32.363 1.00 0.00 H new ATOM 1022 N CYS A 15 5.237 0.774 32.182 1.00 0.00 N ATOM 1023 CA CYS A 15 5.644 -0.526 31.544 1.00 0.00 C ATOM 1024 C CYS A 15 7.142 -0.544 31.237 1.00 0.00 C ATOM 1025 O CYS A 15 7.633 -1.434 30.571 1.00 0.00 O ATOM 1026 CB CYS A 15 4.844 -0.743 30.252 1.00 0.00 C ATOM 1027 SG CYS A 15 5.501 0.297 28.921 1.00 0.00 S ATOM 0 H CYS A 15 5.645 1.612 31.767 1.00 0.00 H new ATOM 0 HA CYS A 15 5.431 -1.333 32.245 1.00 0.00 H new ATOM 0 HB2 CYS A 15 4.891 -1.792 29.959 1.00 0.00 H new ATOM 0 HB3 CYS A 15 3.794 -0.506 30.423 1.00 0.00 H new ATOM 0 HG CYS A 15 5.486 1.542 29.296 1.00 0.00 H new ATOM 1032 N PHE A 16 7.874 0.407 31.739 1.00 0.00 N ATOM 1033 CA PHE A 16 9.348 0.437 31.521 1.00 0.00 C ATOM 1034 C PHE A 16 9.714 0.491 30.029 1.00 0.00 C ATOM 1035 O PHE A 16 10.877 0.439 29.682 1.00 0.00 O ATOM 1036 CB PHE A 16 9.989 -0.799 32.163 1.00 0.00 C ATOM 1037 CG PHE A 16 9.568 -0.892 33.613 1.00 0.00 C ATOM 1038 CD1 PHE A 16 10.175 -0.073 34.574 1.00 0.00 C ATOM 1039 CD2 PHE A 16 8.570 -1.797 33.998 1.00 0.00 C ATOM 1040 CE1 PHE A 16 9.786 -0.159 35.916 1.00 0.00 C ATOM 1041 CE2 PHE A 16 8.182 -1.884 35.340 1.00 0.00 C ATOM 1042 CZ PHE A 16 8.790 -1.065 36.300 1.00 0.00 C ATOM 0 H PHE A 16 7.510 1.177 32.300 1.00 0.00 H new ATOM 0 HA PHE A 16 9.730 1.345 31.987 1.00 0.00 H new ATOM 0 HB2 PHE A 16 9.686 -1.698 31.627 1.00 0.00 H new ATOM 0 HB3 PHE A 16 11.075 -0.737 32.092 1.00 0.00 H new ATOM 0 HD1 PHE A 16 10.944 0.626 34.279 1.00 0.00 H new ATOM 0 HD2 PHE A 16 8.100 -2.428 33.258 1.00 0.00 H new ATOM 0 HE1 PHE A 16 10.254 0.474 36.655 1.00 0.00 H new ATOM 0 HE2 PHE A 16 7.413 -2.583 35.635 1.00 0.00 H new ATOM 0 HZ PHE A 16 8.491 -1.132 37.336 1.00 0.00 H new ATOM 1052 N THR A 17 8.764 0.569 29.135 1.00 0.00 N ATOM 1053 CA THR A 17 9.126 0.597 27.684 1.00 0.00 C ATOM 1054 C THR A 17 10.032 1.798 27.405 1.00 0.00 C ATOM 1055 O THR A 17 9.720 2.912 27.766 1.00 0.00 O ATOM 1056 CB THR A 17 7.849 0.724 26.842 1.00 0.00 C ATOM 1057 OG1 THR A 17 7.113 -0.487 26.920 1.00 0.00 O ATOM 1058 CG2 THR A 17 8.201 1.009 25.378 1.00 0.00 C ATOM 0 H THR A 17 7.766 0.614 29.340 1.00 0.00 H new ATOM 0 HA THR A 17 9.649 -0.324 27.425 1.00 0.00 H new ATOM 0 HB THR A 17 7.251 1.549 27.229 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.426 -0.408 27.615 1.00 0.00 H new ATOM 0 HG21 THR A 17 7.285 1.096 24.794 1.00 0.00 H new ATOM 0 HG22 THR A 17 8.763 1.941 25.314 1.00 0.00 H new ATOM 0 HG23 THR A 17 8.806 0.193 24.984 1.00 0.00 H new ATOM 1066 N GLN A 18 11.147 1.574 26.755 1.00 0.00 N ATOM 1067 CA GLN A 18 12.087 2.693 26.431 1.00 0.00 C ATOM 1068 C GLN A 18 11.917 3.087 24.961 1.00 0.00 C ATOM 1069 O GLN A 18 12.250 4.184 24.556 1.00 0.00 O ATOM 1070 CB GLN A 18 13.528 2.221 26.666 1.00 0.00 C ATOM 1071 CG GLN A 18 14.520 3.340 26.327 1.00 0.00 C ATOM 1072 CD GLN A 18 14.252 4.548 27.224 1.00 0.00 C ATOM 1073 OE1 GLN A 18 14.364 4.454 28.429 1.00 0.00 O ATOM 1074 NE2 GLN A 18 13.892 5.681 26.687 1.00 0.00 N ATOM 0 H GLN A 18 11.449 0.655 26.432 1.00 0.00 H new ATOM 0 HA GLN A 18 11.872 3.552 27.067 1.00 0.00 H new ATOM 0 HB2 GLN A 18 13.653 1.918 27.706 1.00 0.00 H new ATOM 0 HB3 GLN A 18 13.735 1.345 26.052 1.00 0.00 H new ATOM 0 HG2 GLN A 18 15.542 2.989 26.468 1.00 0.00 H new ATOM 0 HG3 GLN A 18 14.421 3.623 25.279 1.00 0.00 H new ATOM 0 HE21 GLN A 18 13.798 5.758 25.674 1.00 0.00 H new ATOM 0 HE22 GLN A 18 13.704 6.489 27.280 1.00 0.00 H new ATOM 1083 N THR A 19 11.408 2.192 24.156 1.00 0.00 N ATOM 1084 CA THR A 19 11.221 2.487 22.704 1.00 0.00 C ATOM 1085 C THR A 19 9.751 2.827 22.435 1.00 0.00 C ATOM 1086 O THR A 19 8.859 2.083 22.792 1.00 0.00 O ATOM 1087 CB THR A 19 11.614 1.242 21.904 1.00 0.00 C ATOM 1088 OG1 THR A 19 12.887 0.786 22.341 1.00 0.00 O ATOM 1089 CG2 THR A 19 11.683 1.580 20.414 1.00 0.00 C ATOM 0 H THR A 19 11.111 1.260 24.445 1.00 0.00 H new ATOM 0 HA THR A 19 11.841 3.334 22.410 1.00 0.00 H new ATOM 0 HB THR A 19 10.867 0.464 22.061 1.00 0.00 H new ATOM 0 HG1 THR A 19 13.141 -0.012 21.832 1.00 0.00 H new ATOM 0 HG21 THR A 19 11.963 0.689 19.851 1.00 0.00 H new ATOM 0 HG22 THR A 19 10.708 1.932 20.075 1.00 0.00 H new ATOM 0 HG23 THR A 19 12.427 2.360 20.252 1.00 0.00 H new ATOM 1097 N THR A 20 9.488 3.947 21.814 1.00 0.00 N ATOM 1098 CA THR A 20 8.074 4.331 21.529 1.00 0.00 C ATOM 1099 C THR A 20 8.057 5.480 20.513 1.00 0.00 C ATOM 1100 O THR A 20 8.955 6.299 20.500 1.00 0.00 O ATOM 1101 CB THR A 20 7.406 4.790 22.829 1.00 0.00 C ATOM 1102 OG1 THR A 20 6.172 5.427 22.531 1.00 0.00 O ATOM 1103 CG2 THR A 20 8.320 5.776 23.563 1.00 0.00 C ATOM 0 H THR A 20 10.191 4.612 21.492 1.00 0.00 H new ATOM 0 HA THR A 20 7.534 3.476 21.122 1.00 0.00 H new ATOM 0 HB THR A 20 7.226 3.922 23.463 1.00 0.00 H new ATOM 0 HG1 THR A 20 6.176 6.336 22.897 1.00 0.00 H new ATOM 0 HG21 THR A 20 7.840 6.099 24.487 1.00 0.00 H new ATOM 0 HG22 THR A 20 9.267 5.289 23.797 1.00 0.00 H new ATOM 0 HG23 THR A 20 8.505 6.642 22.928 1.00 0.00 H new ATOM 1111 N PRO A 21 7.055 5.561 19.669 1.00 0.00 N ATOM 1112 CA PRO A 21 6.968 6.655 18.659 1.00 0.00 C ATOM 1113 C PRO A 21 6.720 8.018 19.316 1.00 0.00 C ATOM 1114 O PRO A 21 6.947 9.052 18.720 1.00 0.00 O ATOM 1115 CB PRO A 21 5.788 6.239 17.768 1.00 0.00 C ATOM 1116 CG PRO A 21 4.937 5.381 18.644 1.00 0.00 C ATOM 1117 CD PRO A 21 5.905 4.642 19.571 1.00 0.00 C ATOM 0 HA PRO A 21 7.895 6.778 18.100 1.00 0.00 H new ATOM 0 HB2 PRO A 21 5.237 7.108 17.409 1.00 0.00 H new ATOM 0 HB3 PRO A 21 6.129 5.692 16.889 1.00 0.00 H new ATOM 0 HG2 PRO A 21 4.232 5.984 19.216 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.350 4.679 18.052 1.00 0.00 H new ATOM 0 HD2 PRO A 21 5.459 4.451 20.547 1.00 0.00 H new ATOM 0 HD3 PRO A 21 6.197 3.676 19.159 1.00 0.00 H new ATOM 1125 N VAL A 22 6.259 8.032 20.539 1.00 0.00 N ATOM 1126 CA VAL A 22 6.008 9.339 21.210 1.00 0.00 C ATOM 1127 C VAL A 22 5.788 9.143 22.713 1.00 0.00 C ATOM 1128 O VAL A 22 5.251 8.149 23.157 1.00 0.00 O ATOM 1129 CB VAL A 22 4.783 10.012 20.589 1.00 0.00 C ATOM 1130 CG1 VAL A 22 3.539 9.144 20.803 1.00 0.00 C ATOM 1131 CG2 VAL A 22 4.573 11.382 21.237 1.00 0.00 C ATOM 0 H VAL A 22 6.048 7.204 21.096 1.00 0.00 H new ATOM 0 HA VAL A 22 6.882 9.975 21.069 1.00 0.00 H new ATOM 0 HB VAL A 22 4.947 10.135 19.518 1.00 0.00 H new ATOM 0 HG11 VAL A 22 2.673 9.633 20.357 1.00 0.00 H new ATOM 0 HG12 VAL A 22 3.689 8.172 20.334 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.369 9.009 21.871 1.00 0.00 H new ATOM 0 HG21 VAL A 22 3.700 11.863 20.796 1.00 0.00 H new ATOM 0 HG22 VAL A 22 4.416 11.257 22.308 1.00 0.00 H new ATOM 0 HG23 VAL A 22 5.453 12.003 21.069 1.00 0.00 H new ATOM 1141 N TRP A 23 6.210 10.099 23.498 1.00 0.00 N ATOM 1142 CA TRP A 23 6.046 9.999 24.979 1.00 0.00 C ATOM 1143 C TRP A 23 4.777 10.723 25.433 1.00 0.00 C ATOM 1144 O TRP A 23 4.506 11.840 25.038 1.00 0.00 O ATOM 1145 CB TRP A 23 7.265 10.622 25.660 1.00 0.00 C ATOM 1146 CG TRP A 23 8.439 9.724 25.455 1.00 0.00 C ATOM 1147 CD1 TRP A 23 9.444 9.933 24.577 1.00 0.00 C ATOM 1148 CD2 TRP A 23 8.728 8.461 26.114 1.00 0.00 C ATOM 1149 NE1 TRP A 23 10.340 8.886 24.665 1.00 0.00 N ATOM 1150 CE2 TRP A 23 9.941 7.951 25.597 1.00 0.00 C ATOM 1151 CE3 TRP A 23 8.064 7.719 27.104 1.00 0.00 C ATOM 1152 CZ2 TRP A 23 10.474 6.744 26.048 1.00 0.00 C ATOM 1153 CZ3 TRP A 23 8.594 6.506 27.559 1.00 0.00 C ATOM 1154 CH2 TRP A 23 9.795 6.021 27.032 1.00 0.00 C ATOM 0 H TRP A 23 6.665 10.952 23.174 1.00 0.00 H new ATOM 0 HA TRP A 23 5.960 8.948 25.256 1.00 0.00 H new ATOM 0 HB2 TRP A 23 7.467 11.609 25.244 1.00 0.00 H new ATOM 0 HB3 TRP A 23 7.075 10.758 26.725 1.00 0.00 H new ATOM 0 HD1 TRP A 23 9.532 10.781 23.914 1.00 0.00 H new ATOM 0 HE1 TRP A 23 11.192 8.813 24.109 1.00 0.00 H new ATOM 0 HE3 TRP A 23 7.137 8.087 27.518 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 11.402 6.372 25.641 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 8.074 5.943 28.320 1.00 0.00 H new ATOM 0 HH2 TRP A 23 10.199 5.084 27.387 1.00 0.00 H new ATOM 1165 N ARG A 24 4.006 10.086 26.277 1.00 0.00 N ATOM 1166 CA ARG A 24 2.750 10.702 26.799 1.00 0.00 C ATOM 1167 C ARG A 24 2.978 11.080 28.265 1.00 0.00 C ATOM 1168 O ARG A 24 3.990 10.744 28.848 1.00 0.00 O ATOM 1169 CB ARG A 24 1.603 9.684 26.712 1.00 0.00 C ATOM 1170 CG ARG A 24 1.257 9.372 25.247 1.00 0.00 C ATOM 1171 CD ARG A 24 0.320 10.439 24.666 1.00 0.00 C ATOM 1172 NE ARG A 24 0.142 10.209 23.203 1.00 0.00 N ATOM 1173 CZ ARG A 24 -0.873 10.742 22.577 1.00 0.00 C ATOM 1174 NH1 ARG A 24 -1.773 11.412 23.245 1.00 0.00 N ATOM 1175 NH2 ARG A 24 -1.000 10.589 21.287 1.00 0.00 N ATOM 0 H ARG A 24 4.198 9.149 26.632 1.00 0.00 H new ATOM 0 HA ARG A 24 2.491 11.583 26.212 1.00 0.00 H new ATOM 0 HB2 ARG A 24 1.886 8.766 27.226 1.00 0.00 H new ATOM 0 HB3 ARG A 24 0.723 10.077 27.222 1.00 0.00 H new ATOM 0 HG2 ARG A 24 2.171 9.324 24.656 1.00 0.00 H new ATOM 0 HG3 ARG A 24 0.784 8.392 25.182 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -0.646 10.402 25.170 1.00 0.00 H new ATOM 0 HD3 ARG A 24 0.732 11.433 24.840 1.00 0.00 H new ATOM 0 HE ARG A 24 0.813 9.636 22.691 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -1.683 11.519 24.255 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -2.566 11.828 22.756 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -0.306 10.053 20.766 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -1.793 11.006 20.800 1.00 0.00 H new ATOM 1189 N ARG A 25 2.045 11.763 28.872 1.00 0.00 N ATOM 1190 CA ARG A 25 2.206 12.149 30.305 1.00 0.00 C ATOM 1191 C ARG A 25 0.848 12.113 31.005 1.00 0.00 C ATOM 1192 O ARG A 25 -0.181 11.942 30.382 1.00 0.00 O ATOM 1193 CB ARG A 25 2.837 13.540 30.420 1.00 0.00 C ATOM 1194 CG ARG A 25 2.103 14.541 29.519 1.00 0.00 C ATOM 1195 CD ARG A 25 2.871 15.874 29.463 1.00 0.00 C ATOM 1196 NE ARG A 25 2.296 16.814 30.466 1.00 0.00 N ATOM 1197 CZ ARG A 25 2.940 17.903 30.788 1.00 0.00 C ATOM 1198 NH1 ARG A 25 4.097 18.166 30.244 1.00 0.00 N ATOM 1199 NH2 ARG A 25 2.427 18.730 31.657 1.00 0.00 N ATOM 0 H ARG A 25 1.176 12.071 28.437 1.00 0.00 H new ATOM 0 HA ARG A 25 2.872 11.436 30.791 1.00 0.00 H new ATOM 0 HB2 ARG A 25 2.799 13.878 31.455 1.00 0.00 H new ATOM 0 HB3 ARG A 25 3.889 13.493 30.139 1.00 0.00 H new ATOM 0 HG2 ARG A 25 2.001 14.130 28.515 1.00 0.00 H new ATOM 0 HG3 ARG A 25 1.095 14.710 29.898 1.00 0.00 H new ATOM 0 HD2 ARG A 25 3.928 15.707 29.668 1.00 0.00 H new ATOM 0 HD3 ARG A 25 2.804 16.304 28.464 1.00 0.00 H new ATOM 0 HE ARG A 25 1.398 16.606 30.902 1.00 0.00 H new ATOM 0 HH11 ARG A 25 4.500 17.520 29.565 1.00 0.00 H new ATOM 0 HH12 ARG A 25 4.598 19.018 30.497 1.00 0.00 H new ATOM 0 HH21 ARG A 25 1.524 18.525 32.084 1.00 0.00 H new ATOM 0 HH22 ARG A 25 2.929 19.581 31.909 1.00 0.00 H new ATOM 1213 N ASN A 26 0.850 12.250 32.303 1.00 0.00 N ATOM 1214 CA ASN A 26 -0.418 12.204 33.090 1.00 0.00 C ATOM 1215 C ASN A 26 -0.454 13.444 33.998 1.00 0.00 C ATOM 1216 O ASN A 26 0.587 13.900 34.424 1.00 0.00 O ATOM 1217 CB ASN A 26 -0.374 10.924 33.939 1.00 0.00 C ATOM 1218 CG ASN A 26 -1.777 10.501 34.373 1.00 0.00 C ATOM 1219 OD1 ASN A 26 -2.500 9.885 33.614 1.00 0.00 O ATOM 1220 ND2 ASN A 26 -2.194 10.797 35.574 1.00 0.00 N ATOM 0 H ASN A 26 1.691 12.394 32.862 1.00 0.00 H new ATOM 0 HA ASN A 26 -1.302 12.199 32.453 1.00 0.00 H new ATOM 0 HB2 ASN A 26 0.090 10.121 33.367 1.00 0.00 H new ATOM 0 HB3 ASN A 26 0.248 11.089 34.819 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -3.126 10.512 35.875 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -1.588 11.314 36.211 1.00 0.00 H new ATOM 1227 N PRO A 27 -1.610 14.000 34.301 1.00 0.00 N ATOM 1228 CA PRO A 27 -1.709 15.201 35.193 1.00 0.00 C ATOM 1229 C PRO A 27 -0.856 15.102 36.472 1.00 0.00 C ATOM 1230 O PRO A 27 -0.866 15.999 37.292 1.00 0.00 O ATOM 1231 CB PRO A 27 -3.197 15.263 35.544 1.00 0.00 C ATOM 1232 CG PRO A 27 -3.885 14.671 34.363 1.00 0.00 C ATOM 1233 CD PRO A 27 -2.948 13.583 33.826 1.00 0.00 C ATOM 0 HA PRO A 27 -1.328 16.091 34.692 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -3.414 14.701 36.452 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -3.521 16.289 35.719 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -4.850 14.250 34.645 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -4.078 15.429 33.604 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -3.219 12.599 34.208 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -2.986 13.524 32.738 1.00 0.00 H new ATOM 1241 N GLU A 28 -0.094 14.051 36.637 1.00 0.00 N ATOM 1242 CA GLU A 28 0.783 13.931 37.840 1.00 0.00 C ATOM 1243 C GLU A 28 2.190 14.382 37.442 1.00 0.00 C ATOM 1244 O GLU A 28 3.036 14.642 38.274 1.00 0.00 O ATOM 1245 CB GLU A 28 0.847 12.472 38.300 1.00 0.00 C ATOM 1246 CG GLU A 28 -0.500 12.045 38.888 1.00 0.00 C ATOM 1247 CD GLU A 28 -0.403 10.588 39.346 1.00 0.00 C ATOM 1248 OE1 GLU A 28 0.630 9.982 39.110 1.00 0.00 O ATOM 1249 OE2 GLU A 28 -1.357 10.107 39.936 1.00 0.00 O ATOM 0 H GLU A 28 -0.042 13.267 35.987 1.00 0.00 H new ATOM 0 HA GLU A 28 0.387 14.543 38.650 1.00 0.00 H new ATOM 0 HB2 GLU A 28 1.106 11.829 37.459 1.00 0.00 H new ATOM 0 HB3 GLU A 28 1.632 12.352 39.046 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -0.765 12.687 39.728 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -1.288 12.154 38.143 1.00 0.00 H new ATOM 1256 N GLY A 29 2.434 14.466 36.162 1.00 0.00 N ATOM 1257 CA GLY A 29 3.775 14.890 35.664 1.00 0.00 C ATOM 1258 C GLY A 29 4.690 13.675 35.498 1.00 0.00 C ATOM 1259 O GLY A 29 5.875 13.813 35.261 1.00 0.00 O ATOM 0 H GLY A 29 1.754 14.257 35.432 1.00 0.00 H new ATOM 0 HA2 GLY A 29 3.669 15.407 34.710 1.00 0.00 H new ATOM 0 HA3 GLY A 29 4.222 15.598 36.362 1.00 0.00 H new ATOM 1263 N GLN A 30 4.160 12.484 35.598 1.00 0.00 N ATOM 1264 CA GLN A 30 5.017 11.275 35.417 1.00 0.00 C ATOM 1265 C GLN A 30 5.112 10.957 33.917 1.00 0.00 C ATOM 1266 O GLN A 30 4.140 11.090 33.201 1.00 0.00 O ATOM 1267 CB GLN A 30 4.397 10.078 36.145 1.00 0.00 C ATOM 1268 CG GLN A 30 2.961 9.856 35.667 1.00 0.00 C ATOM 1269 CD GLN A 30 2.297 8.792 36.546 1.00 0.00 C ATOM 1270 OE1 GLN A 30 2.972 8.039 37.220 1.00 0.00 O ATOM 1271 NE2 GLN A 30 0.996 8.698 36.570 1.00 0.00 N ATOM 0 H GLN A 30 3.177 12.297 35.796 1.00 0.00 H new ATOM 0 HA GLN A 30 6.008 11.468 35.828 1.00 0.00 H new ATOM 0 HB2 GLN A 30 4.992 9.183 35.961 1.00 0.00 H new ATOM 0 HB3 GLN A 30 4.407 10.252 37.221 1.00 0.00 H new ATOM 0 HG2 GLN A 30 2.400 10.789 35.718 1.00 0.00 H new ATOM 0 HG3 GLN A 30 2.957 9.538 34.624 1.00 0.00 H new ATOM 0 HE21 GLN A 30 0.429 9.330 36.005 1.00 0.00 H new ATOM 0 HE22 GLN A 30 0.546 7.993 37.154 1.00 0.00 H new ATOM 1280 N PRO A 31 6.255 10.535 33.429 1.00 0.00 N ATOM 1281 CA PRO A 31 6.421 10.199 31.985 1.00 0.00 C ATOM 1282 C PRO A 31 5.808 8.834 31.641 1.00 0.00 C ATOM 1283 O PRO A 31 5.900 7.889 32.400 1.00 0.00 O ATOM 1284 CB PRO A 31 7.940 10.170 31.809 1.00 0.00 C ATOM 1285 CG PRO A 31 8.446 9.704 33.132 1.00 0.00 C ATOM 1286 CD PRO A 31 7.513 10.327 34.174 1.00 0.00 C ATOM 0 HA PRO A 31 5.918 10.910 31.330 1.00 0.00 H new ATOM 0 HB2 PRO A 31 8.236 9.494 31.007 1.00 0.00 H new ATOM 0 HB3 PRO A 31 8.332 11.155 31.556 1.00 0.00 H new ATOM 0 HG2 PRO A 31 8.433 8.616 33.195 1.00 0.00 H new ATOM 0 HG3 PRO A 31 9.477 10.020 33.291 1.00 0.00 H new ATOM 0 HD2 PRO A 31 7.369 9.667 35.029 1.00 0.00 H new ATOM 0 HD3 PRO A 31 7.911 11.266 34.559 1.00 0.00 H new ATOM 1294 N LEU A 32 5.181 8.735 30.499 1.00 0.00 N ATOM 1295 CA LEU A 32 4.546 7.445 30.082 1.00 0.00 C ATOM 1296 C LEU A 32 4.801 7.207 28.592 1.00 0.00 C ATOM 1297 O LEU A 32 4.857 8.138 27.814 1.00 0.00 O ATOM 1298 CB LEU A 32 3.035 7.532 30.320 1.00 0.00 C ATOM 1299 CG LEU A 32 2.728 7.654 31.819 1.00 0.00 C ATOM 1300 CD1 LEU A 32 1.246 7.991 32.001 1.00 0.00 C ATOM 1301 CD2 LEU A 32 3.035 6.332 32.541 1.00 0.00 C ATOM 0 H LEU A 32 5.079 9.498 29.830 1.00 0.00 H new ATOM 0 HA LEU A 32 4.971 6.626 30.662 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.627 8.392 29.789 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.546 6.646 29.915 1.00 0.00 H new ATOM 0 HG LEU A 32 3.350 8.442 32.244 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.021 8.079 33.064 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.024 8.935 31.503 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.637 7.199 31.565 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.812 6.437 33.603 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.422 5.536 32.118 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.089 6.085 32.415 1.00 0.00 H new ATOM 1313 N CYS A 33 4.930 5.971 28.177 1.00 0.00 N ATOM 1314 CA CYS A 33 5.156 5.701 26.729 1.00 0.00 C ATOM 1315 C CYS A 33 3.857 5.975 25.972 1.00 0.00 C ATOM 1316 O CYS A 33 2.876 6.402 26.546 1.00 0.00 O ATOM 1317 CB CYS A 33 5.608 4.252 26.511 1.00 0.00 C ATOM 1318 SG CYS A 33 4.219 3.116 26.746 1.00 0.00 S ATOM 0 H CYS A 33 4.889 5.146 28.775 1.00 0.00 H new ATOM 0 HA CYS A 33 5.945 6.354 26.356 1.00 0.00 H new ATOM 0 HB2 CYS A 33 6.013 4.138 25.506 1.00 0.00 H new ATOM 0 HB3 CYS A 33 6.409 4.006 27.207 1.00 0.00 H new ATOM 0 HG CYS A 33 4.602 2.107 27.471 1.00 0.00 H new ATOM 1323 N ASN A 34 3.845 5.765 24.685 1.00 0.00 N ATOM 1324 CA ASN A 34 2.610 6.055 23.902 1.00 0.00 C ATOM 1325 C ASN A 34 1.479 5.067 24.231 1.00 0.00 C ATOM 1326 O ASN A 34 0.334 5.452 24.355 1.00 0.00 O ATOM 1327 CB ASN A 34 2.936 5.980 22.408 1.00 0.00 C ATOM 1328 CG ASN A 34 3.232 4.534 22.008 1.00 0.00 C ATOM 1329 OD1 ASN A 34 3.623 3.728 22.827 1.00 0.00 O ATOM 1330 ND2 ASN A 34 3.067 4.173 20.766 1.00 0.00 N ATOM 0 H ASN A 34 4.632 5.407 24.143 1.00 0.00 H new ATOM 0 HA ASN A 34 2.265 7.054 24.169 1.00 0.00 H new ATOM 0 HB2 ASN A 34 2.098 6.363 21.825 1.00 0.00 H new ATOM 0 HB3 ASN A 34 3.796 6.611 22.183 1.00 0.00 H new ATOM 0 HD21 ASN A 34 3.266 3.214 20.483 1.00 0.00 H new ATOM 0 HD22 ASN A 34 2.738 4.850 20.077 1.00 0.00 H new ATOM 1337 N ALA A 35 1.774 3.799 24.340 1.00 0.00 N ATOM 1338 CA ALA A 35 0.700 2.799 24.620 1.00 0.00 C ATOM 1339 C ALA A 35 0.032 3.035 25.983 1.00 0.00 C ATOM 1340 O ALA A 35 -1.177 3.097 26.080 1.00 0.00 O ATOM 1341 CB ALA A 35 1.305 1.395 24.580 1.00 0.00 C ATOM 0 H ALA A 35 2.713 3.411 24.247 1.00 0.00 H new ATOM 0 HA ALA A 35 -0.070 2.907 23.856 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.528 0.658 24.783 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.731 1.210 23.594 1.00 0.00 H new ATOM 0 HB3 ALA A 35 2.088 1.314 25.334 1.00 0.00 H new ATOM 1347 N CYS A 36 0.796 3.146 27.039 1.00 0.00 N ATOM 1348 CA CYS A 36 0.177 3.351 28.383 1.00 0.00 C ATOM 1349 C CYS A 36 -0.633 4.647 28.396 1.00 0.00 C ATOM 1350 O CYS A 36 -1.749 4.690 28.872 1.00 0.00 O ATOM 1351 CB CYS A 36 1.262 3.446 29.458 1.00 0.00 C ATOM 1352 SG CYS A 36 2.158 1.879 29.593 1.00 0.00 S ATOM 0 H CYS A 36 1.815 3.104 27.030 1.00 0.00 H new ATOM 0 HA CYS A 36 -0.475 2.502 28.590 1.00 0.00 H new ATOM 0 HB2 CYS A 36 1.957 4.249 29.212 1.00 0.00 H new ATOM 0 HB3 CYS A 36 0.811 3.698 30.418 1.00 0.00 H new ATOM 0 HG CYS A 36 3.406 2.115 29.870 1.00 0.00 H new ATOM 1357 N GLY A 37 -0.081 5.709 27.885 1.00 0.00 N ATOM 1358 CA GLY A 37 -0.825 6.999 27.887 1.00 0.00 C ATOM 1359 C GLY A 37 -2.144 6.827 27.131 1.00 0.00 C ATOM 1360 O GLY A 37 -3.205 7.131 27.638 1.00 0.00 O ATOM 0 H GLY A 37 0.849 5.741 27.467 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.019 7.318 28.911 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.224 7.779 27.419 1.00 0.00 H new ATOM 1364 N LEU A 38 -2.085 6.336 25.925 1.00 0.00 N ATOM 1365 CA LEU A 38 -3.332 6.140 25.134 1.00 0.00 C ATOM 1366 C LEU A 38 -4.230 5.087 25.791 1.00 0.00 C ATOM 1367 O LEU A 38 -5.413 5.295 25.978 1.00 0.00 O ATOM 1368 CB LEU A 38 -2.956 5.652 23.730 1.00 0.00 C ATOM 1369 CG LEU A 38 -2.336 6.792 22.911 1.00 0.00 C ATOM 1370 CD1 LEU A 38 -1.635 6.203 21.681 1.00 0.00 C ATOM 1371 CD2 LEU A 38 -3.428 7.774 22.450 1.00 0.00 C ATOM 0 H LEU A 38 -1.224 6.061 25.451 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.870 7.087 25.086 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.251 4.824 23.803 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.842 5.272 23.222 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.618 7.327 23.532 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.192 7.008 21.094 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.853 5.515 22.003 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.361 5.666 21.071 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.974 8.577 21.870 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -4.154 7.246 21.832 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.930 8.195 23.321 1.00 0.00 H new ATOM 1383 N PHE A 39 -3.683 3.950 26.120 1.00 0.00 N ATOM 1384 CA PHE A 39 -4.509 2.874 26.737 1.00 0.00 C ATOM 1385 C PHE A 39 -4.985 3.264 28.136 1.00 0.00 C ATOM 1386 O PHE A 39 -6.136 3.083 28.481 1.00 0.00 O ATOM 1387 CB PHE A 39 -3.687 1.590 26.838 1.00 0.00 C ATOM 1388 CG PHE A 39 -4.535 0.509 27.462 1.00 0.00 C ATOM 1389 CD1 PHE A 39 -4.668 0.444 28.855 1.00 0.00 C ATOM 1390 CD2 PHE A 39 -5.194 -0.422 26.652 1.00 0.00 C ATOM 1391 CE1 PHE A 39 -5.458 -0.553 29.437 1.00 0.00 C ATOM 1392 CE2 PHE A 39 -5.984 -1.421 27.234 1.00 0.00 C ATOM 1393 CZ PHE A 39 -6.116 -1.487 28.627 1.00 0.00 C ATOM 0 H PHE A 39 -2.698 3.719 25.988 1.00 0.00 H new ATOM 0 HA PHE A 39 -5.382 2.721 26.103 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -3.351 1.280 25.849 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -2.794 1.761 27.439 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -4.160 1.164 29.480 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -5.093 -0.370 25.578 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -5.561 -0.602 30.511 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -6.492 -2.141 26.609 1.00 0.00 H new ATOM 0 HZ PHE A 39 -6.725 -2.258 29.076 1.00 0.00 H new ATOM 1403 N LEU A 40 -4.107 3.760 28.960 1.00 0.00 N ATOM 1404 CA LEU A 40 -4.523 4.110 30.346 1.00 0.00 C ATOM 1405 C LEU A 40 -5.631 5.163 30.304 1.00 0.00 C ATOM 1406 O LEU A 40 -6.636 5.043 30.975 1.00 0.00 O ATOM 1407 CB LEU A 40 -3.322 4.660 31.123 1.00 0.00 C ATOM 1408 CG LEU A 40 -3.666 4.758 32.619 1.00 0.00 C ATOM 1409 CD1 LEU A 40 -3.557 3.378 33.288 1.00 0.00 C ATOM 1410 CD2 LEU A 40 -2.697 5.728 33.301 1.00 0.00 C ATOM 0 H LEU A 40 -3.128 3.937 28.737 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.896 3.215 30.843 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.458 4.011 30.981 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -3.048 5.643 30.739 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.689 5.120 32.721 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.804 3.466 34.346 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.251 2.686 32.810 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.539 3.002 33.183 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.939 5.799 34.361 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.676 5.364 33.185 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.785 6.713 32.842 1.00 0.00 H new ATOM 1422 N LYS A 41 -5.460 6.197 29.529 1.00 0.00 N ATOM 1423 CA LYS A 41 -6.511 7.250 29.460 1.00 0.00 C ATOM 1424 C LYS A 41 -7.806 6.668 28.882 1.00 0.00 C ATOM 1425 O LYS A 41 -8.886 6.931 29.373 1.00 0.00 O ATOM 1426 CB LYS A 41 -6.032 8.392 28.563 1.00 0.00 C ATOM 1427 CG LYS A 41 -7.062 9.525 28.581 1.00 0.00 C ATOM 1428 CD LYS A 41 -6.579 10.662 27.681 1.00 0.00 C ATOM 1429 CE LYS A 41 -7.595 11.804 27.712 1.00 0.00 C ATOM 1430 NZ LYS A 41 -7.234 12.813 26.679 1.00 0.00 N ATOM 0 H LYS A 41 -4.641 6.358 28.942 1.00 0.00 H new ATOM 0 HA LYS A 41 -6.702 7.623 30.466 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -5.066 8.759 28.909 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -5.890 8.032 27.544 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -8.029 9.158 28.236 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.203 9.887 29.599 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -5.605 11.018 28.018 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -6.451 10.303 26.660 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -8.598 11.419 27.526 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -7.609 12.266 28.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -7.924 13.591 26.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -6.284 13.187 26.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -7.242 12.366 25.740 1.00 0.00 H new ATOM 1444 N LEU A 42 -7.712 5.909 27.823 1.00 0.00 N ATOM 1445 CA LEU A 42 -8.946 5.348 27.198 1.00 0.00 C ATOM 1446 C LEU A 42 -9.590 4.304 28.114 1.00 0.00 C ATOM 1447 O LEU A 42 -10.799 4.241 28.233 1.00 0.00 O ATOM 1448 CB LEU A 42 -8.593 4.679 25.863 1.00 0.00 C ATOM 1449 CG LEU A 42 -8.199 5.730 24.814 1.00 0.00 C ATOM 1450 CD1 LEU A 42 -7.642 5.018 23.574 1.00 0.00 C ATOM 1451 CD2 LEU A 42 -9.419 6.575 24.409 1.00 0.00 C ATOM 0 H LEU A 42 -6.837 5.654 27.365 1.00 0.00 H new ATOM 0 HA LEU A 42 -9.647 6.166 27.036 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -7.771 3.978 26.008 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -9.445 4.102 25.504 1.00 0.00 H new ATOM 0 HG LEU A 42 -7.443 6.389 25.242 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -7.360 5.758 22.825 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.766 4.433 23.853 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -8.404 4.356 23.161 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -9.119 7.314 23.665 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -10.187 5.927 23.987 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -9.816 7.085 25.287 1.00 0.00 H new ATOM 1463 N HIS A 43 -8.812 3.460 28.737 1.00 0.00 N ATOM 1464 CA HIS A 43 -9.410 2.402 29.603 1.00 0.00 C ATOM 1465 C HIS A 43 -9.697 2.933 31.011 1.00 0.00 C ATOM 1466 O HIS A 43 -10.736 2.654 31.576 1.00 0.00 O ATOM 1467 CB HIS A 43 -8.436 1.223 29.669 1.00 0.00 C ATOM 1468 CG HIS A 43 -8.427 0.540 28.328 1.00 0.00 C ATOM 1469 ND1 HIS A 43 -7.852 1.121 27.208 1.00 0.00 N ATOM 1470 CD2 HIS A 43 -8.960 -0.651 27.901 1.00 0.00 C ATOM 1471 CE1 HIS A 43 -8.056 0.291 26.170 1.00 0.00 C ATOM 1472 NE2 HIS A 43 -8.725 -0.805 26.537 1.00 0.00 N ATOM 0 H HIS A 43 -7.793 3.457 28.685 1.00 0.00 H new ATOM 0 HA HIS A 43 -10.361 2.083 29.176 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -7.435 1.571 29.924 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -8.739 0.524 30.449 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -7.363 2.016 27.177 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -9.482 -1.360 28.527 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -7.720 0.487 25.162 1.00 0.00 H new ATOM 1480 N GLY A 44 -8.815 3.702 31.584 1.00 0.00 N ATOM 1481 CA GLY A 44 -9.084 4.245 32.947 1.00 0.00 C ATOM 1482 C GLY A 44 -8.989 3.154 34.016 1.00 0.00 C ATOM 1483 O GLY A 44 -9.337 3.380 35.159 1.00 0.00 O ATOM 0 H GLY A 44 -7.924 3.978 31.172 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -8.370 5.038 33.171 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -10.077 4.694 32.971 1.00 0.00 H new ATOM 1487 N VAL A 45 -8.537 1.973 33.677 1.00 0.00 N ATOM 1488 CA VAL A 45 -8.442 0.888 34.707 1.00 0.00 C ATOM 1489 C VAL A 45 -7.188 0.042 34.474 1.00 0.00 C ATOM 1490 O VAL A 45 -6.768 -0.180 33.356 1.00 0.00 O ATOM 1491 CB VAL A 45 -9.692 0.010 34.634 1.00 0.00 C ATOM 1492 CG1 VAL A 45 -10.930 0.868 34.908 1.00 0.00 C ATOM 1493 CG2 VAL A 45 -9.806 -0.614 33.240 1.00 0.00 C ATOM 0 H VAL A 45 -8.231 1.712 32.740 1.00 0.00 H new ATOM 0 HA VAL A 45 -8.373 1.338 35.697 1.00 0.00 H new ATOM 0 HB VAL A 45 -9.620 -0.782 35.379 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -11.823 0.245 34.857 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -10.853 1.311 35.901 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -10.996 1.660 34.162 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -10.698 -1.239 33.193 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -9.876 0.176 32.492 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -8.925 -1.224 33.041 1.00 0.00 H new ATOM 1503 N VAL A 46 -6.578 -0.413 35.537 1.00 0.00 N ATOM 1504 CA VAL A 46 -5.336 -1.230 35.410 1.00 0.00 C ATOM 1505 C VAL A 46 -5.569 -2.425 34.489 1.00 0.00 C ATOM 1506 O VAL A 46 -6.622 -3.031 34.482 1.00 0.00 O ATOM 1507 CB VAL A 46 -4.908 -1.738 36.786 1.00 0.00 C ATOM 1508 CG1 VAL A 46 -4.568 -0.549 37.686 1.00 0.00 C ATOM 1509 CG2 VAL A 46 -6.048 -2.546 37.408 1.00 0.00 C ATOM 0 H VAL A 46 -6.890 -0.252 36.495 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.554 -0.600 34.986 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.029 -2.374 36.683 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.263 -0.911 38.668 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.754 0.023 37.241 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.445 0.090 37.792 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -5.743 -2.909 38.390 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -6.928 -1.912 37.513 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -6.286 -3.394 36.766 1.00 0.00 H new ATOM 1519 N ARG A 47 -4.575 -2.767 33.714 1.00 0.00 N ATOM 1520 CA ARG A 47 -4.690 -3.920 32.777 1.00 0.00 C ATOM 1521 C ARG A 47 -3.331 -4.636 32.745 1.00 0.00 C ATOM 1522 O ARG A 47 -2.316 -3.979 32.624 1.00 0.00 O ATOM 1523 CB ARG A 47 -5.018 -3.365 31.385 1.00 0.00 C ATOM 1524 CG ARG A 47 -5.380 -4.493 30.409 1.00 0.00 C ATOM 1525 CD ARG A 47 -6.835 -4.947 30.625 1.00 0.00 C ATOM 1526 NE ARG A 47 -6.899 -6.439 30.604 1.00 0.00 N ATOM 1527 CZ ARG A 47 -6.371 -7.121 29.624 1.00 0.00 C ATOM 1528 NH1 ARG A 47 -5.886 -6.505 28.580 1.00 0.00 N ATOM 1529 NH2 ARG A 47 -6.365 -8.425 29.671 1.00 0.00 N ATOM 0 H ARG A 47 -3.675 -2.288 33.691 1.00 0.00 H new ATOM 0 HA ARG A 47 -5.468 -4.617 33.089 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -5.848 -2.662 31.457 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -4.162 -2.809 31.001 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -5.248 -4.150 29.383 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -4.705 -5.336 30.552 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -7.207 -4.570 31.577 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -7.476 -4.534 29.846 1.00 0.00 H new ATOM 0 HE ARG A 47 -7.362 -6.933 31.367 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -5.919 -5.487 28.528 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -5.474 -7.042 27.817 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -6.772 -8.908 30.472 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -5.953 -8.961 28.907 1.00 0.00 H new ATOM 1543 N PRO A 48 -3.282 -5.948 32.861 1.00 0.00 N ATOM 1544 CA PRO A 48 -1.996 -6.699 32.844 1.00 0.00 C ATOM 1545 C PRO A 48 -0.911 -6.029 31.996 1.00 0.00 C ATOM 1546 O PRO A 48 -0.902 -6.122 30.788 1.00 0.00 O ATOM 1547 CB PRO A 48 -2.412 -8.034 32.239 1.00 0.00 C ATOM 1548 CG PRO A 48 -3.788 -8.273 32.783 1.00 0.00 C ATOM 1549 CD PRO A 48 -4.415 -6.886 33.025 1.00 0.00 C ATOM 0 HA PRO A 48 -1.545 -6.768 33.834 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -2.416 -7.993 31.150 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -1.727 -8.832 32.526 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -4.387 -8.851 32.080 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -3.744 -8.845 33.710 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -5.212 -6.678 32.311 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -4.852 -6.814 34.021 1.00 0.00 H new ATOM 1557 N LEU A 49 0.015 -5.367 32.628 1.00 0.00 N ATOM 1558 CA LEU A 49 1.111 -4.711 31.864 1.00 0.00 C ATOM 1559 C LEU A 49 1.860 -5.793 31.086 1.00 0.00 C ATOM 1560 O LEU A 49 2.628 -5.516 30.187 1.00 0.00 O ATOM 1561 CB LEU A 49 2.062 -4.009 32.833 1.00 0.00 C ATOM 1562 CG LEU A 49 1.303 -2.926 33.610 1.00 0.00 C ATOM 1563 CD1 LEU A 49 2.177 -2.428 34.764 1.00 0.00 C ATOM 1564 CD2 LEU A 49 0.939 -1.752 32.682 1.00 0.00 C ATOM 0 H LEU A 49 0.061 -5.251 33.640 1.00 0.00 H new ATOM 0 HA LEU A 49 0.706 -3.969 31.176 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.491 -4.733 33.525 1.00 0.00 H new ATOM 0 HB3 LEU A 49 2.891 -3.563 32.284 1.00 0.00 H new ATOM 0 HG LEU A 49 0.380 -3.350 34.005 1.00 0.00 H new ATOM 0 HD11 LEU A 49 1.642 -1.658 35.320 1.00 0.00 H new ATOM 0 HD12 LEU A 49 2.410 -3.260 35.429 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.102 -2.012 34.366 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.401 -0.993 33.250 1.00 0.00 H new ATOM 0 HD22 LEU A 49 1.850 -1.319 32.269 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.308 -2.113 31.870 1.00 0.00 H new ATOM 1576 N SER A 50 1.638 -7.029 31.442 1.00 0.00 N ATOM 1577 CA SER A 50 2.328 -8.150 30.746 1.00 0.00 C ATOM 1578 C SER A 50 2.024 -8.071 29.249 1.00 0.00 C ATOM 1579 O SER A 50 2.580 -8.801 28.453 1.00 0.00 O ATOM 1580 CB SER A 50 1.829 -9.483 31.308 1.00 0.00 C ATOM 1581 OG SER A 50 0.454 -9.645 30.989 1.00 0.00 O ATOM 0 H SER A 50 1.004 -7.311 32.190 1.00 0.00 H new ATOM 0 HA SER A 50 3.404 -8.077 30.903 1.00 0.00 H new ATOM 0 HB2 SER A 50 2.410 -10.306 30.891 1.00 0.00 H new ATOM 0 HB3 SER A 50 1.968 -9.510 32.389 1.00 0.00 H new ATOM 0 HG SER A 50 0.134 -10.499 31.347 1.00 0.00 H new ATOM 1587 N LEU A 51 1.157 -7.175 28.860 1.00 0.00 N ATOM 1588 CA LEU A 51 0.833 -7.031 27.410 1.00 0.00 C ATOM 1589 C LEU A 51 2.008 -6.342 26.720 1.00 0.00 C ATOM 1590 O LEU A 51 2.381 -6.675 25.613 1.00 0.00 O ATOM 1591 CB LEU A 51 -0.410 -6.154 27.250 1.00 0.00 C ATOM 1592 CG LEU A 51 -1.624 -6.817 27.917 1.00 0.00 C ATOM 1593 CD1 LEU A 51 -2.694 -5.759 28.198 1.00 0.00 C ATOM 1594 CD2 LEU A 51 -2.225 -7.879 26.990 1.00 0.00 C ATOM 0 H LEU A 51 0.660 -6.537 29.482 1.00 0.00 H new ATOM 0 HA LEU A 51 0.649 -8.012 26.972 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.232 -5.175 27.696 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.613 -5.990 26.192 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.298 -7.284 28.846 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -3.556 -6.230 28.671 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.286 -4.997 28.862 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.003 -5.296 27.261 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.085 -8.341 27.475 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.542 -7.411 26.058 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.476 -8.641 26.776 1.00 0.00 H new ATOM 1606 N LYS A 52 2.590 -5.378 27.378 1.00 0.00 N ATOM 1607 CA LYS A 52 3.748 -4.643 26.791 1.00 0.00 C ATOM 1608 C LYS A 52 4.745 -5.636 26.182 1.00 0.00 C ATOM 1609 O LYS A 52 4.835 -6.777 26.592 1.00 0.00 O ATOM 1610 CB LYS A 52 4.419 -3.834 27.912 1.00 0.00 C ATOM 1611 CG LYS A 52 5.766 -3.232 27.453 1.00 0.00 C ATOM 1612 CD LYS A 52 6.934 -4.092 27.960 1.00 0.00 C ATOM 1613 CE LYS A 52 8.262 -3.520 27.463 1.00 0.00 C ATOM 1614 NZ LYS A 52 9.382 -4.346 27.997 1.00 0.00 N ATOM 0 H LYS A 52 2.310 -5.064 28.307 1.00 0.00 H new ATOM 0 HA LYS A 52 3.409 -3.974 26.000 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.752 -3.033 28.232 1.00 0.00 H new ATOM 0 HB3 LYS A 52 4.583 -4.477 28.777 1.00 0.00 H new ATOM 0 HG2 LYS A 52 5.794 -3.173 26.365 1.00 0.00 H new ATOM 0 HG3 LYS A 52 5.865 -2.214 27.830 1.00 0.00 H new ATOM 0 HD2 LYS A 52 6.927 -4.122 29.050 1.00 0.00 H new ATOM 0 HD3 LYS A 52 6.818 -5.118 27.612 1.00 0.00 H new ATOM 0 HE2 LYS A 52 8.285 -3.516 26.373 1.00 0.00 H new ATOM 0 HE3 LYS A 52 8.370 -2.485 27.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 10.122 -4.438 27.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 9.780 -3.887 28.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 9.027 -5.290 28.251 1.00 0.00 H new ATOM 1628 N THR A 53 5.519 -5.192 25.226 1.00 0.00 N ATOM 1629 CA THR A 53 6.548 -6.071 24.598 1.00 0.00 C ATOM 1630 C THR A 53 7.717 -5.204 24.130 1.00 0.00 C ATOM 1631 O THR A 53 7.638 -3.991 24.138 1.00 0.00 O ATOM 1632 CB THR A 53 5.951 -6.817 23.403 1.00 0.00 C ATOM 1633 OG1 THR A 53 7.008 -7.298 22.588 1.00 0.00 O ATOM 1634 CG2 THR A 53 5.052 -5.880 22.593 1.00 0.00 C ATOM 0 H THR A 53 5.480 -4.245 24.849 1.00 0.00 H new ATOM 0 HA THR A 53 6.893 -6.803 25.328 1.00 0.00 H new ATOM 0 HB THR A 53 5.349 -7.653 23.758 1.00 0.00 H new ATOM 0 HG1 THR A 53 6.790 -8.198 22.267 1.00 0.00 H new ATOM 0 HG21 THR A 53 4.632 -6.421 21.745 1.00 0.00 H new ATOM 0 HG22 THR A 53 4.243 -5.514 23.226 1.00 0.00 H new ATOM 0 HG23 THR A 53 5.639 -5.036 22.230 1.00 0.00 H new ATOM 1642 N ASP A 54 8.809 -5.802 23.733 1.00 0.00 N ATOM 1643 CA ASP A 54 9.982 -4.992 23.281 1.00 0.00 C ATOM 1644 C ASP A 54 9.934 -4.813 21.761 1.00 0.00 C ATOM 1645 O ASP A 54 10.767 -4.141 21.187 1.00 0.00 O ATOM 1646 CB ASP A 54 11.277 -5.716 23.658 1.00 0.00 C ATOM 1647 CG ASP A 54 11.456 -5.689 25.177 1.00 0.00 C ATOM 1648 OD1 ASP A 54 11.659 -4.611 25.710 1.00 0.00 O ATOM 1649 OD2 ASP A 54 11.393 -6.748 25.779 1.00 0.00 O ATOM 0 H ASP A 54 8.941 -6.813 23.702 1.00 0.00 H new ATOM 0 HA ASP A 54 9.949 -4.015 23.764 1.00 0.00 H new ATOM 0 HB2 ASP A 54 11.246 -6.746 23.304 1.00 0.00 H new ATOM 0 HB3 ASP A 54 12.128 -5.237 23.173 1.00 0.00 H new ATOM 1654 N VAL A 55 8.957 -5.396 21.107 1.00 0.00 N ATOM 1655 CA VAL A 55 8.834 -5.253 19.621 1.00 0.00 C ATOM 1656 C VAL A 55 7.562 -4.457 19.312 1.00 0.00 C ATOM 1657 O VAL A 55 6.516 -4.709 19.875 1.00 0.00 O ATOM 1658 CB VAL A 55 8.766 -6.642 18.970 1.00 0.00 C ATOM 1659 CG1 VAL A 55 7.413 -7.302 19.247 1.00 0.00 C ATOM 1660 CG2 VAL A 55 8.957 -6.500 17.459 1.00 0.00 C ATOM 0 H VAL A 55 8.234 -5.969 21.543 1.00 0.00 H new ATOM 0 HA VAL A 55 9.701 -4.727 19.220 1.00 0.00 H new ATOM 0 HB VAL A 55 9.554 -7.266 19.392 1.00 0.00 H new ATOM 0 HG11 VAL A 55 7.385 -8.285 18.777 1.00 0.00 H new ATOM 0 HG12 VAL A 55 7.274 -7.410 20.323 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.615 -6.682 18.838 1.00 0.00 H new ATOM 0 HG21 VAL A 55 8.910 -7.484 16.992 1.00 0.00 H new ATOM 0 HG22 VAL A 55 8.170 -5.866 17.051 1.00 0.00 H new ATOM 0 HG23 VAL A 55 9.928 -6.049 17.256 1.00 0.00 H new ATOM 1670 N ILE A 56 7.650 -3.491 18.432 1.00 0.00 N ATOM 1671 CA ILE A 56 6.457 -2.656 18.088 1.00 0.00 C ATOM 1672 C ILE A 56 6.026 -2.949 16.650 1.00 0.00 C ATOM 1673 O ILE A 56 6.828 -2.946 15.738 1.00 0.00 O ATOM 1674 CB ILE A 56 6.825 -1.177 18.221 1.00 0.00 C ATOM 1675 CG1 ILE A 56 7.267 -0.901 19.659 1.00 0.00 C ATOM 1676 CG2 ILE A 56 5.599 -0.318 17.898 1.00 0.00 C ATOM 1677 CD1 ILE A 56 7.826 0.519 19.762 1.00 0.00 C ATOM 0 H ILE A 56 8.504 -3.243 17.933 1.00 0.00 H new ATOM 0 HA ILE A 56 5.636 -2.892 18.765 1.00 0.00 H new ATOM 0 HB ILE A 56 7.633 -0.935 17.531 1.00 0.00 H new ATOM 0 HG12 ILE A 56 6.423 -1.020 20.338 1.00 0.00 H new ATOM 0 HG13 ILE A 56 8.025 -1.624 19.962 1.00 0.00 H new ATOM 0 HG21 ILE A 56 5.859 0.736 17.992 1.00 0.00 H new ATOM 0 HG22 ILE A 56 5.271 -0.521 16.879 1.00 0.00 H new ATOM 0 HG23 ILE A 56 4.794 -0.557 18.593 1.00 0.00 H new ATOM 0 HD11 ILE A 56 8.140 0.713 20.788 1.00 0.00 H new ATOM 0 HD12 ILE A 56 8.682 0.622 19.095 1.00 0.00 H new ATOM 0 HD13 ILE A 56 7.055 1.235 19.477 1.00 0.00 H new ATOM 1689 N LYS A 57 4.763 -3.205 16.438 1.00 0.00 N ATOM 1690 CA LYS A 57 4.287 -3.503 15.060 1.00 0.00 C ATOM 1691 C LYS A 57 4.122 -2.176 14.311 1.00 0.00 C ATOM 1692 O LYS A 57 3.427 -1.285 14.757 1.00 0.00 O ATOM 1693 CB LYS A 57 2.941 -4.229 15.157 1.00 0.00 C ATOM 1694 CG LYS A 57 2.396 -4.565 13.765 1.00 0.00 C ATOM 1695 CD LYS A 57 3.333 -5.552 13.056 1.00 0.00 C ATOM 1696 CE LYS A 57 2.570 -6.266 11.939 1.00 0.00 C ATOM 1697 NZ LYS A 57 1.984 -5.248 11.026 1.00 0.00 N ATOM 0 H LYS A 57 4.042 -3.220 17.160 1.00 0.00 H new ATOM 0 HA LYS A 57 4.997 -4.134 14.526 1.00 0.00 H new ATOM 0 HB2 LYS A 57 3.059 -5.145 15.736 1.00 0.00 H new ATOM 0 HB3 LYS A 57 2.225 -3.604 15.691 1.00 0.00 H new ATOM 0 HG2 LYS A 57 1.399 -4.996 13.851 1.00 0.00 H new ATOM 0 HG3 LYS A 57 2.300 -3.654 13.174 1.00 0.00 H new ATOM 0 HD2 LYS A 57 4.192 -5.022 12.644 1.00 0.00 H new ATOM 0 HD3 LYS A 57 3.720 -6.280 13.770 1.00 0.00 H new ATOM 0 HE2 LYS A 57 3.240 -6.925 11.387 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.783 -6.891 12.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 1.734 -5.696 10.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 1.130 -4.843 11.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 2.678 -4.492 10.857 1.00 0.00 H new ATOM 1711 N LYS A 58 4.764 -2.029 13.179 1.00 0.00 N ATOM 1712 CA LYS A 58 4.648 -0.751 12.413 1.00 0.00 C ATOM 1713 C LYS A 58 3.540 -0.852 11.367 1.00 0.00 C ATOM 1714 O LYS A 58 3.419 -1.839 10.669 1.00 0.00 O ATOM 1715 CB LYS A 58 5.961 -0.443 11.695 1.00 0.00 C ATOM 1716 CG LYS A 58 7.092 -0.307 12.711 1.00 0.00 C ATOM 1717 CD LYS A 58 8.390 -0.002 11.965 1.00 0.00 C ATOM 1718 CE LYS A 58 9.543 0.102 12.963 1.00 0.00 C ATOM 1719 NZ LYS A 58 9.829 -1.250 13.514 1.00 0.00 N ATOM 0 H LYS A 58 5.362 -2.737 12.753 1.00 0.00 H new ATOM 0 HA LYS A 58 4.415 0.043 13.122 1.00 0.00 H new ATOM 0 HB2 LYS A 58 6.192 -1.237 10.985 1.00 0.00 H new ATOM 0 HB3 LYS A 58 5.864 0.479 11.121 1.00 0.00 H new ATOM 0 HG2 LYS A 58 6.868 0.490 13.420 1.00 0.00 H new ATOM 0 HG3 LYS A 58 7.195 -1.227 13.287 1.00 0.00 H new ATOM 0 HD2 LYS A 58 8.596 -0.787 11.237 1.00 0.00 H new ATOM 0 HD3 LYS A 58 8.291 0.931 11.409 1.00 0.00 H new ATOM 0 HE2 LYS A 58 10.430 0.504 12.473 1.00 0.00 H new ATOM 0 HE3 LYS A 58 9.284 0.790 13.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 10.783 -1.261 13.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 9.129 -1.481 14.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 9.775 -1.954 12.751 1.00 0.00 H new ATOM 1733 N ARG A 59 2.738 0.171 11.245 1.00 0.00 N ATOM 1734 CA ARG A 59 1.636 0.160 10.239 1.00 0.00 C ATOM 1735 C ARG A 59 2.065 0.987 9.026 1.00 0.00 C ATOM 1736 O ARG A 59 3.180 1.463 8.951 1.00 0.00 O ATOM 1737 CB ARG A 59 0.381 0.775 10.856 1.00 0.00 C ATOM 1738 CG ARG A 59 -0.124 -0.131 11.980 1.00 0.00 C ATOM 1739 CD ARG A 59 -1.507 0.340 12.434 1.00 0.00 C ATOM 1740 NE ARG A 59 -1.468 1.805 12.699 1.00 0.00 N ATOM 1741 CZ ARG A 59 -2.581 2.479 12.801 1.00 0.00 C ATOM 1742 NH1 ARG A 59 -3.729 1.864 12.734 1.00 0.00 N ATOM 1743 NH2 ARG A 59 -2.543 3.771 12.981 1.00 0.00 N ATOM 0 H ARG A 59 2.799 1.022 11.804 1.00 0.00 H new ATOM 0 HA ARG A 59 1.423 -0.864 9.932 1.00 0.00 H new ATOM 0 HB2 ARG A 59 0.603 1.769 11.246 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -0.391 0.896 10.096 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -0.175 -1.163 11.634 1.00 0.00 H new ATOM 0 HG3 ARG A 59 0.572 -0.110 12.818 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -2.249 0.118 11.667 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -1.808 -0.196 13.334 1.00 0.00 H new ATOM 0 HE ARG A 59 -0.572 2.281 12.801 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -3.759 0.853 12.602 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -4.597 2.394 12.814 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -1.645 4.251 13.042 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -3.411 4.301 13.061 1.00 0.00 H new ATOM 1757 N ASN A 60 1.202 1.132 8.061 1.00 0.00 N ATOM 1758 CA ASN A 60 1.576 1.893 6.837 1.00 0.00 C ATOM 1759 C ASN A 60 1.524 3.399 7.101 1.00 0.00 C ATOM 1760 O ASN A 60 1.411 3.848 8.224 1.00 0.00 O ATOM 1761 CB ASN A 60 0.598 1.552 5.713 1.00 0.00 C ATOM 1762 CG ASN A 60 0.833 0.113 5.250 1.00 0.00 C ATOM 1763 OD1 ASN A 60 1.906 -0.427 5.429 1.00 0.00 O ATOM 1764 ND2 ASN A 60 -0.135 -0.534 4.662 1.00 0.00 N ATOM 0 H ASN A 60 0.254 0.757 8.066 1.00 0.00 H new ATOM 0 HA ASN A 60 2.592 1.618 6.552 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -0.428 1.670 6.061 1.00 0.00 H new ATOM 0 HB3 ASN A 60 0.732 2.240 4.878 1.00 0.00 H new ATOM 0 HD21 ASN A 60 0.009 -1.495 4.352 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -1.036 -0.079 4.512 1.00 0.00 H new