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= 1.64 USER MOD Set 1.2: A 15 CYS SG : rot -56:sc= 0.618 USER MOD Set 1.3: A 17 THR OG1 : rot 90:sc= 1.42 USER MOD Set 1.4: A 33 CYS SG : rot -134:sc= 1.28 USER MOD Set 1.5: A 36 CYS SG : rot 144:sc= -0.126 USER MOD Set 1.6: A 52 LYS NZ :NH3+ 153:sc= -0.785! (180deg=-2.11!) USER MOD Set 2.1: A 20 THR OG1 : rot -119:sc= -0.0426 USER MOD Set 2.2: A 34 ASN : amide:sc= -10! K(o=-10!,f=-1) USER MOD Single : A 11 THR OG1 : rot 31:sc= 0.111 USER MOD Single : A 13 THR OG1 : rot 160:sc= 0.0189 USER MOD Single : A 14 ASN : amide:sc= -4.78! C(o=-4.8!,f=-5.7!) USER MOD Single : A 18 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -1.03 X(o=-1,f=-1.3) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 41 LYS NZ :NH3+ 164:sc= -0.181 (180deg=-0.865) USER MOD Single : A 43 HIS : no HE2:sc= -6.53! C(o=-6.5!,f=-9.6!) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.234 USER MOD Single : A 57 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0999) USER MOD Single : A 58 LYS NZ :NH3+ -116:sc= -0.64 (180deg=-2.23!) USER MOD Single : A 60 ASN : amide:sc= -1.25! C(o=-1.2!,f=-5.3!) USER MOD ----------------------------------------------------------------- ATOM 970 N THR A 11 11.936 7.024 30.148 1.00 0.00 N ATOM 971 CA THR A 11 11.477 5.697 30.673 1.00 0.00 C ATOM 972 C THR A 11 9.975 5.746 30.982 1.00 0.00 C ATOM 973 O THR A 11 9.468 6.725 31.490 1.00 0.00 O ATOM 974 CB THR A 11 12.237 5.361 31.958 1.00 0.00 C ATOM 975 OG1 THR A 11 13.630 5.317 31.685 1.00 0.00 O ATOM 976 CG2 THR A 11 11.772 4.001 32.485 1.00 0.00 C ATOM 0 HA THR A 11 11.669 4.935 29.918 1.00 0.00 H new ATOM 0 HB THR A 11 12.040 6.126 32.709 1.00 0.00 H new ATOM 0 HG1 THR A 11 13.843 5.950 30.967 1.00 0.00 H new ATOM 0 HG21 THR A 11 12.313 3.761 33.400 1.00 0.00 H new ATOM 0 HG22 THR A 11 10.703 4.038 32.695 1.00 0.00 H new ATOM 0 HG23 THR A 11 11.968 3.234 31.736 1.00 0.00 H new ATOM 984 N CYS A 12 9.265 4.686 30.692 1.00 0.00 N ATOM 985 CA CYS A 12 7.798 4.661 30.984 1.00 0.00 C ATOM 986 C CYS A 12 7.566 4.131 32.398 1.00 0.00 C ATOM 987 O CYS A 12 7.754 2.963 32.677 1.00 0.00 O ATOM 988 CB CYS A 12 7.066 3.759 29.990 1.00 0.00 C ATOM 989 SG CYS A 12 5.291 4.096 30.109 1.00 0.00 S ATOM 0 H CYS A 12 9.636 3.837 30.266 1.00 0.00 H new ATOM 0 HA CYS A 12 7.412 5.676 30.896 1.00 0.00 H new ATOM 0 HB2 CYS A 12 7.420 3.946 28.976 1.00 0.00 H new ATOM 0 HB3 CYS A 12 7.268 2.711 30.210 1.00 0.00 H new ATOM 0 HG CYS A 12 4.697 3.681 29.029 1.00 0.00 H new ATOM 994 N THR A 13 7.144 4.984 33.288 1.00 0.00 N ATOM 995 CA THR A 13 6.892 4.549 34.690 1.00 0.00 C ATOM 996 C THR A 13 5.721 3.564 34.742 1.00 0.00 C ATOM 997 O THR A 13 5.478 2.952 35.763 1.00 0.00 O ATOM 998 CB THR A 13 6.559 5.772 35.549 1.00 0.00 C ATOM 999 OG1 THR A 13 5.622 6.590 34.861 1.00 0.00 O ATOM 1000 CG2 THR A 13 7.833 6.571 35.827 1.00 0.00 C ATOM 0 H THR A 13 6.962 5.970 33.104 1.00 0.00 H new ATOM 0 HA THR A 13 7.787 4.057 35.071 1.00 0.00 H new ATOM 0 HB THR A 13 6.130 5.444 36.496 1.00 0.00 H new ATOM 0 HG1 THR A 13 5.169 7.177 35.501 1.00 0.00 H new ATOM 0 HG21 THR A 13 7.591 7.440 36.439 1.00 0.00 H new ATOM 0 HG22 THR A 13 8.548 5.942 36.357 1.00 0.00 H new ATOM 0 HG23 THR A 13 8.269 6.901 34.884 1.00 0.00 H new ATOM 1008 N ASN A 14 4.983 3.409 33.671 1.00 0.00 N ATOM 1009 CA ASN A 14 3.820 2.469 33.696 1.00 0.00 C ATOM 1010 C ASN A 14 4.194 1.115 33.082 1.00 0.00 C ATOM 1011 O ASN A 14 3.682 0.095 33.499 1.00 0.00 O ATOM 1012 CB ASN A 14 2.659 3.075 32.903 1.00 0.00 C ATOM 1013 CG ASN A 14 2.024 4.208 33.713 1.00 0.00 C ATOM 1014 OD1 ASN A 14 2.444 4.489 34.818 1.00 0.00 O ATOM 1015 ND2 ASN A 14 1.017 4.867 33.210 1.00 0.00 N ATOM 0 H ASN A 14 5.134 3.890 32.784 1.00 0.00 H new ATOM 0 HA ASN A 14 3.528 2.312 34.734 1.00 0.00 H new ATOM 0 HB2 ASN A 14 3.017 3.454 31.946 1.00 0.00 H new ATOM 0 HB3 ASN A 14 1.915 2.309 32.684 1.00 0.00 H new ATOM 0 HD21 ASN A 14 0.582 5.619 33.744 1.00 0.00 H new ATOM 0 HD22 ASN A 14 0.665 4.631 32.282 1.00 0.00 H new ATOM 1022 N CYS A 15 5.061 1.078 32.097 1.00 0.00 N ATOM 1023 CA CYS A 15 5.426 -0.239 31.478 1.00 0.00 C ATOM 1024 C CYS A 15 6.931 -0.310 31.212 1.00 0.00 C ATOM 1025 O CYS A 15 7.404 -1.202 30.536 1.00 0.00 O ATOM 1026 CB CYS A 15 4.639 -0.441 30.175 1.00 0.00 C ATOM 1027 SG CYS A 15 5.331 0.579 28.849 1.00 0.00 S ATOM 0 H CYS A 15 5.528 1.893 31.698 1.00 0.00 H new ATOM 0 HA CYS A 15 5.166 -1.037 32.173 1.00 0.00 H new ATOM 0 HB2 CYS A 15 4.667 -1.492 29.886 1.00 0.00 H new ATOM 0 HB3 CYS A 15 3.592 -0.182 30.332 1.00 0.00 H new ATOM 0 HG CYS A 15 5.346 1.824 29.222 1.00 0.00 H new ATOM 1032 N PHE A 16 7.690 0.599 31.763 1.00 0.00 N ATOM 1033 CA PHE A 16 9.171 0.571 31.584 1.00 0.00 C ATOM 1034 C PHE A 16 9.573 0.569 30.107 1.00 0.00 C ATOM 1035 O PHE A 16 10.745 0.546 29.789 1.00 0.00 O ATOM 1036 CB PHE A 16 9.745 -0.672 32.272 1.00 0.00 C ATOM 1037 CG PHE A 16 9.571 -0.539 33.766 1.00 0.00 C ATOM 1038 CD1 PHE A 16 10.500 0.194 34.514 1.00 0.00 C ATOM 1039 CD2 PHE A 16 8.481 -1.145 34.404 1.00 0.00 C ATOM 1040 CE1 PHE A 16 10.340 0.322 35.899 1.00 0.00 C ATOM 1041 CE2 PHE A 16 8.321 -1.017 35.789 1.00 0.00 C ATOM 1042 CZ PHE A 16 9.251 -0.284 36.537 1.00 0.00 C ATOM 0 H PHE A 16 7.343 1.368 32.336 1.00 0.00 H new ATOM 0 HA PHE A 16 9.576 1.476 32.036 1.00 0.00 H new ATOM 0 HB2 PHE A 16 9.238 -1.568 31.913 1.00 0.00 H new ATOM 0 HB3 PHE A 16 10.801 -0.784 32.026 1.00 0.00 H new ATOM 0 HD1 PHE A 16 11.341 0.661 34.022 1.00 0.00 H new ATOM 0 HD2 PHE A 16 7.764 -1.711 33.828 1.00 0.00 H new ATOM 0 HE1 PHE A 16 11.057 0.888 36.475 1.00 0.00 H new ATOM 0 HE2 PHE A 16 7.480 -1.484 36.281 1.00 0.00 H new ATOM 0 HZ PHE A 16 9.128 -0.186 37.606 1.00 0.00 H new ATOM 1052 N THR A 17 8.642 0.591 29.193 1.00 0.00 N ATOM 1053 CA THR A 17 9.044 0.580 27.758 1.00 0.00 C ATOM 1054 C THR A 17 9.959 1.777 27.496 1.00 0.00 C ATOM 1055 O THR A 17 9.648 2.895 27.854 1.00 0.00 O ATOM 1056 CB THR A 17 7.802 0.693 26.866 1.00 0.00 C ATOM 1057 OG1 THR A 17 7.050 -0.509 26.945 1.00 0.00 O ATOM 1058 CG2 THR A 17 8.216 0.944 25.413 1.00 0.00 C ATOM 0 H THR A 17 7.638 0.616 29.372 1.00 0.00 H new ATOM 0 HA THR A 17 9.563 -0.351 27.532 1.00 0.00 H new ATOM 0 HB THR A 17 7.193 1.529 27.210 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.396 -0.439 27.672 1.00 0.00 H new ATOM 0 HG21 THR A 17 7.326 1.022 24.789 1.00 0.00 H new ATOM 0 HG22 THR A 17 8.785 1.872 25.352 1.00 0.00 H new ATOM 0 HG23 THR A 17 8.833 0.117 25.062 1.00 0.00 H new ATOM 1066 N GLN A 18 11.088 1.543 26.877 1.00 0.00 N ATOM 1067 CA GLN A 18 12.044 2.654 26.582 1.00 0.00 C ATOM 1068 C GLN A 18 11.966 3.012 25.096 1.00 0.00 C ATOM 1069 O GLN A 18 12.578 3.961 24.648 1.00 0.00 O ATOM 1070 CB GLN A 18 13.467 2.202 26.935 1.00 0.00 C ATOM 1071 CG GLN A 18 13.896 1.034 26.039 1.00 0.00 C ATOM 1072 CD GLN A 18 15.297 0.574 26.445 1.00 0.00 C ATOM 1073 OE1 GLN A 18 15.626 0.546 27.614 1.00 0.00 O ATOM 1074 NE2 GLN A 18 16.144 0.210 25.520 1.00 0.00 N ATOM 0 H GLN A 18 11.391 0.622 26.561 1.00 0.00 H new ATOM 0 HA GLN A 18 11.785 3.531 27.175 1.00 0.00 H new ATOM 0 HB2 GLN A 18 14.160 3.035 26.814 1.00 0.00 H new ATOM 0 HB3 GLN A 18 13.510 1.900 27.982 1.00 0.00 H new ATOM 0 HG2 GLN A 18 13.189 0.210 26.133 1.00 0.00 H new ATOM 0 HG3 GLN A 18 13.890 1.342 24.993 1.00 0.00 H new ATOM 0 HE21 GLN A 18 15.868 0.233 24.538 1.00 0.00 H new ATOM 0 HE22 GLN A 18 17.081 -0.098 25.779 1.00 0.00 H new ATOM 1083 N THR A 19 11.218 2.256 24.331 1.00 0.00 N ATOM 1084 CA THR A 19 11.089 2.534 22.866 1.00 0.00 C ATOM 1085 C THR A 19 9.655 2.977 22.564 1.00 0.00 C ATOM 1086 O THR A 19 8.706 2.300 22.901 1.00 0.00 O ATOM 1087 CB THR A 19 11.400 1.253 22.084 1.00 0.00 C ATOM 1088 OG1 THR A 19 12.624 0.702 22.550 1.00 0.00 O ATOM 1089 CG2 THR A 19 11.527 1.583 20.597 1.00 0.00 C ATOM 0 H THR A 19 10.686 1.451 24.662 1.00 0.00 H new ATOM 0 HA THR A 19 11.785 3.321 22.574 1.00 0.00 H new ATOM 0 HB THR A 19 10.595 0.533 22.230 1.00 0.00 H new ATOM 0 HG1 THR A 19 12.824 -0.118 22.052 1.00 0.00 H new ATOM 0 HG21 THR A 19 11.748 0.673 20.040 1.00 0.00 H new ATOM 0 HG22 THR A 19 10.591 2.010 20.238 1.00 0.00 H new ATOM 0 HG23 THR A 19 12.333 2.302 20.451 1.00 0.00 H new ATOM 1097 N THR A 20 9.485 4.114 21.943 1.00 0.00 N ATOM 1098 CA THR A 20 8.104 4.590 21.641 1.00 0.00 C ATOM 1099 C THR A 20 8.155 5.707 20.587 1.00 0.00 C ATOM 1100 O THR A 20 9.084 6.490 20.564 1.00 0.00 O ATOM 1101 CB THR A 20 7.483 5.143 22.928 1.00 0.00 C ATOM 1102 OG1 THR A 20 6.188 5.655 22.653 1.00 0.00 O ATOM 1103 CG2 THR A 20 8.363 6.265 23.483 1.00 0.00 C ATOM 0 H THR A 20 10.237 4.730 21.634 1.00 0.00 H new ATOM 0 HA THR A 20 7.508 3.762 21.257 1.00 0.00 H new ATOM 0 HB THR A 20 7.409 4.341 23.662 1.00 0.00 H new ATOM 0 HG1 THR A 20 6.165 6.613 22.857 1.00 0.00 H new ATOM 0 HG21 THR A 20 7.919 6.657 24.398 1.00 0.00 H new ATOM 0 HG22 THR A 20 9.357 5.874 23.700 1.00 0.00 H new ATOM 0 HG23 THR A 20 8.441 7.065 22.746 1.00 0.00 H new ATOM 1111 N PRO A 21 7.167 5.800 19.725 1.00 0.00 N ATOM 1112 CA PRO A 21 7.123 6.863 18.675 1.00 0.00 C ATOM 1113 C PRO A 21 6.904 8.253 19.284 1.00 0.00 C ATOM 1114 O PRO A 21 7.200 9.262 18.676 1.00 0.00 O ATOM 1115 CB PRO A 21 5.934 6.458 17.790 1.00 0.00 C ATOM 1116 CG PRO A 21 5.054 5.642 18.680 1.00 0.00 C ATOM 1117 CD PRO A 21 5.990 4.913 19.642 1.00 0.00 C ATOM 0 HA PRO A 21 8.060 6.935 18.122 1.00 0.00 H new ATOM 0 HB2 PRO A 21 5.408 7.334 17.409 1.00 0.00 H new ATOM 0 HB3 PRO A 21 6.263 5.883 16.925 1.00 0.00 H new ATOM 0 HG2 PRO A 21 4.353 6.276 19.223 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.461 4.934 18.100 1.00 0.00 H new ATOM 0 HD2 PRO A 21 5.528 4.769 20.618 1.00 0.00 H new ATOM 0 HD3 PRO A 21 6.259 3.925 19.268 1.00 0.00 H new ATOM 1125 N VAL A 22 6.370 8.311 20.473 1.00 0.00 N ATOM 1126 CA VAL A 22 6.116 9.634 21.109 1.00 0.00 C ATOM 1127 C VAL A 22 5.907 9.455 22.613 1.00 0.00 C ATOM 1128 O VAL A 22 5.349 8.474 23.064 1.00 0.00 O ATOM 1129 CB VAL A 22 4.864 10.255 20.485 1.00 0.00 C ATOM 1130 CG1 VAL A 22 3.668 9.325 20.699 1.00 0.00 C ATOM 1131 CG2 VAL A 22 4.581 11.610 21.137 1.00 0.00 C ATOM 0 H VAL A 22 6.099 7.501 21.031 1.00 0.00 H new ATOM 0 HA VAL A 22 6.972 10.288 20.946 1.00 0.00 H new ATOM 0 HB VAL A 22 5.027 10.395 19.416 1.00 0.00 H new ATOM 0 HG11 VAL A 22 2.778 9.769 20.254 1.00 0.00 H new ATOM 0 HG12 VAL A 22 3.867 8.362 20.229 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.506 9.180 21.767 1.00 0.00 H new ATOM 0 HG21 VAL A 22 3.689 12.049 20.690 1.00 0.00 H new ATOM 0 HG22 VAL A 22 4.421 11.473 22.207 1.00 0.00 H new ATOM 0 HG23 VAL A 22 5.431 12.274 20.979 1.00 0.00 H new ATOM 1141 N TRP A 23 6.368 10.394 23.394 1.00 0.00 N ATOM 1142 CA TRP A 23 6.221 10.293 24.876 1.00 0.00 C ATOM 1143 C TRP A 23 4.987 11.064 25.344 1.00 0.00 C ATOM 1144 O TRP A 23 4.772 12.204 24.982 1.00 0.00 O ATOM 1145 CB TRP A 23 7.480 10.857 25.538 1.00 0.00 C ATOM 1146 CG TRP A 23 8.602 9.895 25.317 1.00 0.00 C ATOM 1147 CD1 TRP A 23 9.654 10.090 24.490 1.00 0.00 C ATOM 1148 CD2 TRP A 23 8.780 8.577 25.905 1.00 0.00 C ATOM 1149 NE1 TRP A 23 10.472 8.974 24.541 1.00 0.00 N ATOM 1150 CE2 TRP A 23 9.974 8.014 25.398 1.00 0.00 C ATOM 1151 CE3 TRP A 23 8.030 7.827 26.822 1.00 0.00 C ATOM 1152 CZ2 TRP A 23 10.406 6.745 25.789 1.00 0.00 C ATOM 1153 CZ3 TRP A 23 8.459 6.554 27.219 1.00 0.00 C ATOM 1154 CH2 TRP A 23 9.645 6.013 26.703 1.00 0.00 C ATOM 0 H TRP A 23 6.844 11.234 23.067 1.00 0.00 H new ATOM 0 HA TRP A 23 6.094 9.248 25.158 1.00 0.00 H new ATOM 0 HB2 TRP A 23 7.727 11.831 25.115 1.00 0.00 H new ATOM 0 HB3 TRP A 23 7.313 11.006 26.605 1.00 0.00 H new ATOM 0 HD1 TRP A 23 9.827 10.971 23.889 1.00 0.00 H new ATOM 0 HE1 TRP A 23 11.337 8.874 24.010 1.00 0.00 H new ATOM 0 HE3 TRP A 23 7.115 8.234 27.225 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 11.320 6.333 25.388 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 7.873 5.986 27.926 1.00 0.00 H new ATOM 0 HH2 TRP A 23 9.970 5.031 27.012 1.00 0.00 H new ATOM 1165 N ARG A 24 4.178 10.441 26.162 1.00 0.00 N ATOM 1166 CA ARG A 24 2.949 11.106 26.689 1.00 0.00 C ATOM 1167 C ARG A 24 3.228 11.581 28.117 1.00 0.00 C ATOM 1168 O ARG A 24 4.249 11.264 28.695 1.00 0.00 O ATOM 1169 CB ARG A 24 1.791 10.099 26.730 1.00 0.00 C ATOM 1170 CG ARG A 24 1.444 9.593 25.321 1.00 0.00 C ATOM 1171 CD ARG A 24 0.530 10.588 24.595 1.00 0.00 C ATOM 1172 NE ARG A 24 0.386 10.200 23.162 1.00 0.00 N ATOM 1173 CZ ARG A 24 -0.607 10.673 22.457 1.00 0.00 C ATOM 1174 NH1 ARG A 24 -1.514 11.417 23.029 1.00 0.00 N ATOM 1175 NH2 ARG A 24 -0.706 10.391 21.185 1.00 0.00 N ATOM 0 H ARG A 24 4.319 9.486 26.491 1.00 0.00 H new ATOM 0 HA ARG A 24 2.683 11.945 26.046 1.00 0.00 H new ATOM 0 HB2 ARG A 24 2.061 9.256 27.366 1.00 0.00 H new ATOM 0 HB3 ARG A 24 0.914 10.567 27.177 1.00 0.00 H new ATOM 0 HG2 ARG A 24 2.359 9.447 24.747 1.00 0.00 H new ATOM 0 HG3 ARG A 24 0.952 8.623 25.389 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -0.449 10.611 25.074 1.00 0.00 H new ATOM 0 HD3 ARG A 24 0.944 11.594 24.668 1.00 0.00 H new ATOM 0 HE ARG A 24 1.061 9.567 22.733 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -1.447 11.628 24.025 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -2.290 11.787 22.480 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -0.006 9.799 20.738 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -1.483 10.763 20.639 1.00 0.00 H new ATOM 1189 N ARG A 25 2.328 12.336 28.691 1.00 0.00 N ATOM 1190 CA ARG A 25 2.522 12.837 30.086 1.00 0.00 C ATOM 1191 C ARG A 25 1.234 12.643 30.887 1.00 0.00 C ATOM 1192 O ARG A 25 0.164 12.470 30.337 1.00 0.00 O ATOM 1193 CB ARG A 25 2.878 14.324 30.073 1.00 0.00 C ATOM 1194 CG ARG A 25 4.294 14.521 29.528 1.00 0.00 C ATOM 1195 CD ARG A 25 4.700 15.982 29.735 1.00 0.00 C ATOM 1196 NE ARG A 25 5.992 16.257 29.047 1.00 0.00 N ATOM 1197 CZ ARG A 25 6.367 17.491 28.841 1.00 0.00 C ATOM 1198 NH1 ARG A 25 5.613 18.478 29.244 1.00 0.00 N ATOM 1199 NH2 ARG A 25 7.496 17.740 28.237 1.00 0.00 N ATOM 0 H ARG A 25 1.457 12.630 28.249 1.00 0.00 H new ATOM 0 HA ARG A 25 3.335 12.275 30.546 1.00 0.00 H new ATOM 0 HB2 ARG A 25 2.164 14.871 29.458 1.00 0.00 H new ATOM 0 HB3 ARG A 25 2.808 14.731 31.082 1.00 0.00 H new ATOM 0 HG2 ARG A 25 4.992 13.859 30.040 1.00 0.00 H new ATOM 0 HG3 ARG A 25 4.330 14.265 28.469 1.00 0.00 H new ATOM 0 HD2 ARG A 25 3.924 16.642 29.346 1.00 0.00 H new ATOM 0 HD3 ARG A 25 4.794 16.194 30.800 1.00 0.00 H new ATOM 0 HE ARG A 25 6.582 15.484 28.738 1.00 0.00 H new ATOM 0 HH11 ARG A 25 4.731 18.285 29.720 1.00 0.00 H new ATOM 0 HH12 ARG A 25 5.906 19.442 29.083 1.00 0.00 H new ATOM 0 HH21 ARG A 25 8.088 16.970 27.925 1.00 0.00 H new ATOM 0 HH22 ARG A 25 7.787 18.704 28.077 1.00 0.00 H new ATOM 1213 N ASN A 26 1.345 12.655 32.190 1.00 0.00 N ATOM 1214 CA ASN A 26 0.156 12.456 33.074 1.00 0.00 C ATOM 1215 C ASN A 26 -0.043 13.730 33.913 1.00 0.00 C ATOM 1216 O ASN A 26 0.922 14.375 34.264 1.00 0.00 O ATOM 1217 CB ASN A 26 0.467 11.274 33.999 1.00 0.00 C ATOM 1218 CG ASN A 26 -0.818 10.730 34.621 1.00 0.00 C ATOM 1219 OD1 ASN A 26 -1.682 10.233 33.927 1.00 0.00 O ATOM 1220 ND2 ASN A 26 -0.981 10.803 35.914 1.00 0.00 N ATOM 0 H ASN A 26 2.224 12.797 32.688 1.00 0.00 H new ATOM 0 HA ASN A 26 -0.746 12.259 32.495 1.00 0.00 H new ATOM 0 HB2 ASN A 26 0.968 10.486 33.436 1.00 0.00 H new ATOM 0 HB3 ASN A 26 1.153 11.590 34.785 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -1.834 10.443 36.342 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -0.255 11.220 36.497 1.00 0.00 H new ATOM 1227 N PRO A 27 -1.259 14.110 34.248 1.00 0.00 N ATOM 1228 CA PRO A 27 -1.496 15.333 35.074 1.00 0.00 C ATOM 1229 C PRO A 27 -0.610 15.385 36.327 1.00 0.00 C ATOM 1230 O PRO A 27 -0.648 16.343 37.076 1.00 0.00 O ATOM 1231 CB PRO A 27 -2.976 15.240 35.461 1.00 0.00 C ATOM 1232 CG PRO A 27 -3.605 14.448 34.363 1.00 0.00 C ATOM 1233 CD PRO A 27 -2.537 13.456 33.888 1.00 0.00 C ATOM 0 HA PRO A 27 -1.249 16.239 34.521 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -3.103 14.750 36.426 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -3.427 16.229 35.544 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -4.492 13.924 34.719 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -3.924 15.097 33.548 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -2.643 12.489 34.379 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -2.606 13.278 32.815 1.00 0.00 H new ATOM 1241 N GLU A 28 0.204 14.382 36.552 1.00 0.00 N ATOM 1242 CA GLU A 28 1.111 14.388 37.742 1.00 0.00 C ATOM 1243 C GLU A 28 2.530 14.726 37.274 1.00 0.00 C ATOM 1244 O GLU A 28 3.429 14.927 38.066 1.00 0.00 O ATOM 1245 CB GLU A 28 1.092 13.011 38.411 1.00 0.00 C ATOM 1246 CG GLU A 28 -0.307 12.745 38.973 1.00 0.00 C ATOM 1247 CD GLU A 28 -0.343 11.372 39.647 1.00 0.00 C ATOM 1248 OE1 GLU A 28 0.655 10.673 39.580 1.00 0.00 O ATOM 1249 OE2 GLU A 28 -1.366 11.048 40.227 1.00 0.00 O ATOM 0 H GLU A 28 0.279 13.555 35.959 1.00 0.00 H new ATOM 0 HA GLU A 28 0.776 15.132 38.465 1.00 0.00 H new ATOM 0 HB2 GLU A 28 1.360 12.239 37.690 1.00 0.00 H new ATOM 0 HB3 GLU A 28 1.832 12.971 39.210 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -0.573 13.520 39.692 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -1.045 12.786 38.172 1.00 0.00 H new ATOM 1256 N GLY A 29 2.727 14.791 35.984 1.00 0.00 N ATOM 1257 CA GLY A 29 4.072 15.120 35.429 1.00 0.00 C ATOM 1258 C GLY A 29 4.926 13.858 35.293 1.00 0.00 C ATOM 1259 O GLY A 29 6.124 13.930 35.104 1.00 0.00 O ATOM 0 H GLY A 29 2.004 14.628 35.283 1.00 0.00 H new ATOM 0 HA2 GLY A 29 3.962 15.597 34.455 1.00 0.00 H new ATOM 0 HA3 GLY A 29 4.574 15.836 36.080 1.00 0.00 H new ATOM 1263 N GLN A 30 4.329 12.700 35.376 1.00 0.00 N ATOM 1264 CA GLN A 30 5.120 11.443 35.236 1.00 0.00 C ATOM 1265 C GLN A 30 5.265 11.101 33.744 1.00 0.00 C ATOM 1266 O GLN A 30 4.357 11.335 32.971 1.00 0.00 O ATOM 1267 CB GLN A 30 4.391 10.314 35.966 1.00 0.00 C ATOM 1268 CG GLN A 30 4.292 10.668 37.450 1.00 0.00 C ATOM 1269 CD GLN A 30 3.710 9.486 38.225 1.00 0.00 C ATOM 1270 OE1 GLN A 30 2.537 9.188 38.114 1.00 0.00 O ATOM 1271 NE2 GLN A 30 4.486 8.796 39.016 1.00 0.00 N ATOM 0 H GLN A 30 3.330 12.570 35.534 1.00 0.00 H new ATOM 0 HA GLN A 30 6.112 11.571 35.670 1.00 0.00 H new ATOM 0 HB2 GLN A 30 3.396 10.173 35.545 1.00 0.00 H new ATOM 0 HB3 GLN A 30 4.927 9.374 35.838 1.00 0.00 H new ATOM 0 HG2 GLN A 30 5.278 10.921 37.840 1.00 0.00 H new ATOM 0 HG3 GLN A 30 3.662 11.548 37.583 1.00 0.00 H new ATOM 0 HE21 GLN A 30 5.471 9.046 39.110 1.00 0.00 H new ATOM 0 HE22 GLN A 30 4.108 8.007 39.541 1.00 0.00 H new ATOM 1280 N PRO A 31 6.385 10.557 33.326 1.00 0.00 N ATOM 1281 CA PRO A 31 6.615 10.198 31.891 1.00 0.00 C ATOM 1282 C PRO A 31 5.915 8.889 31.490 1.00 0.00 C ATOM 1283 O PRO A 31 6.046 7.883 32.156 1.00 0.00 O ATOM 1284 CB PRO A 31 8.136 10.031 31.825 1.00 0.00 C ATOM 1285 CG PRO A 31 8.497 9.507 33.174 1.00 0.00 C ATOM 1286 CD PRO A 31 7.563 10.221 34.153 1.00 0.00 C ATOM 0 HA PRO A 31 6.215 10.948 31.209 1.00 0.00 H new ATOM 0 HB2 PRO A 31 8.428 9.338 31.036 1.00 0.00 H new ATOM 0 HB3 PRO A 31 8.634 10.978 31.618 1.00 0.00 H new ATOM 0 HG2 PRO A 31 8.365 8.426 33.223 1.00 0.00 H new ATOM 0 HG3 PRO A 31 9.542 9.712 33.408 1.00 0.00 H new ATOM 0 HD2 PRO A 31 7.294 9.579 34.992 1.00 0.00 H new ATOM 0 HD3 PRO A 31 8.027 11.114 34.571 1.00 0.00 H new ATOM 1294 N LEU A 32 5.189 8.899 30.398 1.00 0.00 N ATOM 1295 CA LEU A 32 4.482 7.658 29.933 1.00 0.00 C ATOM 1296 C LEU A 32 4.725 7.447 28.437 1.00 0.00 C ATOM 1297 O LEU A 32 4.832 8.389 27.678 1.00 0.00 O ATOM 1298 CB LEU A 32 2.973 7.803 30.151 1.00 0.00 C ATOM 1299 CG LEU A 32 2.654 8.016 31.633 1.00 0.00 C ATOM 1300 CD1 LEU A 32 1.154 8.289 31.779 1.00 0.00 C ATOM 1301 CD2 LEU A 32 3.024 6.764 32.441 1.00 0.00 C ATOM 0 H LEU A 32 5.054 9.717 29.804 1.00 0.00 H new ATOM 0 HA LEU A 32 4.867 6.811 30.501 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.596 8.644 29.569 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.462 6.911 29.789 1.00 0.00 H new ATOM 0 HG LEU A 32 3.231 8.861 32.010 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.913 8.443 32.831 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.890 9.182 31.212 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.590 7.437 31.398 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.792 6.928 33.493 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.453 5.911 32.073 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.089 6.562 32.331 1.00 0.00 H new ATOM 1313 N CYS A 33 4.778 6.214 28.001 1.00 0.00 N ATOM 1314 CA CYS A 33 4.979 5.943 26.550 1.00 0.00 C ATOM 1315 C CYS A 33 3.667 6.216 25.811 1.00 0.00 C ATOM 1316 O CYS A 33 2.698 6.660 26.396 1.00 0.00 O ATOM 1317 CB CYS A 33 5.416 4.488 26.342 1.00 0.00 C ATOM 1318 SG CYS A 33 4.028 3.365 26.643 1.00 0.00 S ATOM 0 H CYS A 33 4.691 5.385 28.589 1.00 0.00 H new ATOM 0 HA CYS A 33 5.761 6.593 26.157 1.00 0.00 H new ATOM 0 HB2 CYS A 33 5.787 4.354 25.326 1.00 0.00 H new ATOM 0 HB3 CYS A 33 6.239 4.249 27.016 1.00 0.00 H new ATOM 0 HG CYS A 33 4.426 2.371 27.381 1.00 0.00 H new ATOM 1323 N ASN A 34 3.625 5.970 24.531 1.00 0.00 N ATOM 1324 CA ASN A 34 2.376 6.237 23.763 1.00 0.00 C ATOM 1325 C ASN A 34 1.266 5.247 24.134 1.00 0.00 C ATOM 1326 O ASN A 34 0.117 5.618 24.273 1.00 0.00 O ATOM 1327 CB ASN A 34 2.663 6.125 22.265 1.00 0.00 C ATOM 1328 CG ASN A 34 3.162 4.718 21.920 1.00 0.00 C ATOM 1329 OD1 ASN A 34 3.010 4.268 20.802 1.00 0.00 O ATOM 1330 ND2 ASN A 34 3.760 3.998 22.831 1.00 0.00 N ATOM 0 H ASN A 34 4.400 5.596 23.984 1.00 0.00 H new ATOM 0 HA ASN A 34 2.038 7.243 24.012 1.00 0.00 H new ATOM 0 HB2 ASN A 34 1.759 6.346 21.698 1.00 0.00 H new ATOM 0 HB3 ASN A 34 3.410 6.864 21.975 1.00 0.00 H new ATOM 0 HD21 ASN A 34 4.097 3.063 22.602 1.00 0.00 H new ATOM 0 HD22 ASN A 34 3.890 4.371 23.771 1.00 0.00 H new ATOM 1337 N ALA A 35 1.583 3.988 24.261 1.00 0.00 N ATOM 1338 CA ALA A 35 0.531 2.981 24.581 1.00 0.00 C ATOM 1339 C ALA A 35 -0.115 3.251 25.947 1.00 0.00 C ATOM 1340 O ALA A 35 -1.324 3.284 26.068 1.00 0.00 O ATOM 1341 CB ALA A 35 1.162 1.587 24.562 1.00 0.00 C ATOM 0 H ALA A 35 2.526 3.612 24.157 1.00 0.00 H new ATOM 0 HA ALA A 35 -0.257 3.048 23.831 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.402 0.841 24.795 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.575 1.388 23.573 1.00 0.00 H new ATOM 0 HB3 ALA A 35 1.958 1.538 25.305 1.00 0.00 H new ATOM 1347 N CYS A 36 0.665 3.419 26.982 1.00 0.00 N ATOM 1348 CA CYS A 36 0.066 3.656 28.331 1.00 0.00 C ATOM 1349 C CYS A 36 -0.796 4.921 28.319 1.00 0.00 C ATOM 1350 O CYS A 36 -1.895 4.939 28.835 1.00 0.00 O ATOM 1351 CB CYS A 36 1.171 3.830 29.375 1.00 0.00 C ATOM 1352 SG CYS A 36 2.057 2.269 29.613 1.00 0.00 S ATOM 0 H CYS A 36 1.684 3.403 26.954 1.00 0.00 H new ATOM 0 HA CYS A 36 -0.552 2.794 28.582 1.00 0.00 H new ATOM 0 HB2 CYS A 36 1.866 4.606 29.054 1.00 0.00 H new ATOM 0 HB3 CYS A 36 0.740 4.160 30.320 1.00 0.00 H new ATOM 0 HG CYS A 36 3.316 2.513 29.827 1.00 0.00 H new ATOM 1357 N GLY A 37 -0.307 5.981 27.740 1.00 0.00 N ATOM 1358 CA GLY A 37 -1.102 7.242 27.710 1.00 0.00 C ATOM 1359 C GLY A 37 -2.399 7.021 26.930 1.00 0.00 C ATOM 1360 O GLY A 37 -3.472 7.366 27.381 1.00 0.00 O ATOM 0 H GLY A 37 0.606 6.030 27.287 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.329 7.563 28.727 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.520 8.038 27.246 1.00 0.00 H new ATOM 1364 N LEU A 38 -2.308 6.451 25.762 1.00 0.00 N ATOM 1365 CA LEU A 38 -3.534 6.208 24.953 1.00 0.00 C ATOM 1366 C LEU A 38 -4.414 5.168 25.646 1.00 0.00 C ATOM 1367 O LEU A 38 -5.591 5.373 25.869 1.00 0.00 O ATOM 1368 CB LEU A 38 -3.117 5.654 23.588 1.00 0.00 C ATOM 1369 CG LEU A 38 -2.415 6.744 22.766 1.00 0.00 C ATOM 1370 CD1 LEU A 38 -1.783 6.112 21.520 1.00 0.00 C ATOM 1371 CD2 LEU A 38 -3.422 7.828 22.345 1.00 0.00 C ATOM 0 H LEU A 38 -1.436 6.142 25.332 1.00 0.00 H new ATOM 0 HA LEU A 38 -4.086 7.141 24.841 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.450 4.802 23.721 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.994 5.291 23.051 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.639 7.207 23.376 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.284 6.884 20.934 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -1.056 5.359 21.823 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.560 5.644 20.916 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.910 8.594 21.763 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -4.209 7.378 21.740 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.862 8.281 23.234 1.00 0.00 H new ATOM 1383 N PHE A 39 -3.844 4.038 25.956 1.00 0.00 N ATOM 1384 CA PHE A 39 -4.624 2.948 26.601 1.00 0.00 C ATOM 1385 C PHE A 39 -5.117 3.351 27.994 1.00 0.00 C ATOM 1386 O PHE A 39 -6.279 3.192 28.317 1.00 0.00 O ATOM 1387 CB PHE A 39 -3.732 1.717 26.734 1.00 0.00 C ATOM 1388 CG PHE A 39 -4.528 0.613 27.379 1.00 0.00 C ATOM 1389 CD1 PHE A 39 -4.577 0.509 28.773 1.00 0.00 C ATOM 1390 CD2 PHE A 39 -5.237 -0.290 26.581 1.00 0.00 C ATOM 1391 CE1 PHE A 39 -5.336 -0.503 29.372 1.00 0.00 C ATOM 1392 CE2 PHE A 39 -5.995 -1.301 27.178 1.00 0.00 C ATOM 1393 CZ PHE A 39 -6.046 -1.408 28.574 1.00 0.00 C ATOM 0 H PHE A 39 -2.861 3.822 25.788 1.00 0.00 H new ATOM 0 HA PHE A 39 -5.494 2.739 25.979 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -3.374 1.402 25.754 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -2.853 1.950 27.335 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -4.030 1.209 29.387 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -5.199 -0.206 25.505 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -5.374 -0.586 30.448 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -6.542 -2.000 26.563 1.00 0.00 H new ATOM 0 HZ PHE A 39 -6.633 -2.189 29.035 1.00 0.00 H new ATOM 1403 N LEU A 40 -4.246 3.834 28.838 1.00 0.00 N ATOM 1404 CA LEU A 40 -4.679 4.200 30.217 1.00 0.00 C ATOM 1405 C LEU A 40 -5.737 5.306 30.153 1.00 0.00 C ATOM 1406 O LEU A 40 -6.762 5.229 30.796 1.00 0.00 O ATOM 1407 CB LEU A 40 -3.471 4.687 31.030 1.00 0.00 C ATOM 1408 CG LEU A 40 -3.797 4.698 32.535 1.00 0.00 C ATOM 1409 CD1 LEU A 40 -3.605 3.297 33.141 1.00 0.00 C ATOM 1410 CD2 LEU A 40 -2.881 5.692 33.257 1.00 0.00 C ATOM 0 H LEU A 40 -3.259 3.990 28.634 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.107 3.322 30.701 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.615 4.039 30.843 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -3.189 5.689 30.707 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.837 4.998 32.660 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.840 3.325 34.205 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.268 2.591 32.642 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.571 2.981 33.006 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.116 5.696 34.321 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.841 5.397 33.116 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.034 6.691 32.848 1.00 0.00 H new ATOM 1422 N LYS A 41 -5.502 6.333 29.385 1.00 0.00 N ATOM 1423 CA LYS A 41 -6.508 7.430 29.294 1.00 0.00 C ATOM 1424 C LYS A 41 -7.827 6.876 28.751 1.00 0.00 C ATOM 1425 O LYS A 41 -8.891 7.164 29.262 1.00 0.00 O ATOM 1426 CB LYS A 41 -5.988 8.527 28.358 1.00 0.00 C ATOM 1427 CG LYS A 41 -7.017 9.659 28.259 1.00 0.00 C ATOM 1428 CD LYS A 41 -6.480 10.764 27.348 1.00 0.00 C ATOM 1429 CE LYS A 41 -7.577 11.806 27.110 1.00 0.00 C ATOM 1430 NZ LYS A 41 -8.359 12.001 28.363 1.00 0.00 N ATOM 0 H LYS A 41 -4.663 6.461 28.819 1.00 0.00 H new ATOM 0 HA LYS A 41 -6.675 7.849 30.286 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -5.041 8.916 28.731 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -5.795 8.112 27.369 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -7.958 9.275 27.865 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.226 10.061 29.250 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -5.609 11.235 27.804 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -6.153 10.341 26.398 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -7.134 12.751 26.795 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -8.235 11.479 26.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -8.912 12.879 28.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -9.003 11.196 28.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -7.708 12.064 29.172 1.00 0.00 H new ATOM 1444 N LEU A 42 -7.768 6.102 27.702 1.00 0.00 N ATOM 1445 CA LEU A 42 -9.022 5.555 27.110 1.00 0.00 C ATOM 1446 C LEU A 42 -9.649 4.509 28.037 1.00 0.00 C ATOM 1447 O LEU A 42 -10.852 4.471 28.211 1.00 0.00 O ATOM 1448 CB LEU A 42 -8.701 4.901 25.763 1.00 0.00 C ATOM 1449 CG LEU A 42 -8.293 5.972 24.743 1.00 0.00 C ATOM 1450 CD1 LEU A 42 -7.750 5.287 23.483 1.00 0.00 C ATOM 1451 CD2 LEU A 42 -9.498 6.860 24.378 1.00 0.00 C ATOM 0 H LEU A 42 -6.907 5.825 27.230 1.00 0.00 H new ATOM 0 HA LEU A 42 -9.729 6.374 26.975 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -7.895 4.177 25.884 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -9.570 4.353 25.399 1.00 0.00 H new ATOM 0 HG LEU A 42 -7.521 6.604 25.181 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -7.458 6.044 22.755 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.882 4.681 23.744 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -8.523 4.649 23.054 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -9.189 7.613 23.654 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -10.287 6.244 23.946 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -9.872 7.352 25.276 1.00 0.00 H new ATOM 1463 N HIS A 43 -8.861 3.640 28.614 1.00 0.00 N ATOM 1464 CA HIS A 43 -9.444 2.585 29.496 1.00 0.00 C ATOM 1465 C HIS A 43 -9.669 3.124 30.912 1.00 0.00 C ATOM 1466 O HIS A 43 -10.723 2.934 31.486 1.00 0.00 O ATOM 1467 CB HIS A 43 -8.489 1.389 29.533 1.00 0.00 C ATOM 1468 CG HIS A 43 -8.519 0.698 28.197 1.00 0.00 C ATOM 1469 ND1 HIS A 43 -7.800 1.163 27.106 1.00 0.00 N ATOM 1470 CD2 HIS A 43 -9.199 -0.409 27.752 1.00 0.00 C ATOM 1471 CE1 HIS A 43 -8.064 0.348 26.069 1.00 0.00 C ATOM 1472 NE2 HIS A 43 -8.911 -0.626 26.408 1.00 0.00 N ATOM 0 H HIS A 43 -7.846 3.614 28.514 1.00 0.00 H new ATOM 0 HA HIS A 43 -10.410 2.276 29.097 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -7.477 1.722 29.762 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -8.783 0.697 30.322 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -7.183 1.975 27.092 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -9.857 -1.018 28.354 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -7.642 0.467 25.082 1.00 0.00 H new ATOM 1480 N GLY A 44 -8.715 3.809 31.482 1.00 0.00 N ATOM 1481 CA GLY A 44 -8.916 4.367 32.852 1.00 0.00 C ATOM 1482 C GLY A 44 -8.911 3.267 33.918 1.00 0.00 C ATOM 1483 O GLY A 44 -9.256 3.512 35.056 1.00 0.00 O ATOM 0 H GLY A 44 -7.807 4.007 31.061 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -8.129 5.089 33.070 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -9.862 4.906 32.890 1.00 0.00 H new ATOM 1487 N VAL A 45 -8.529 2.063 33.577 1.00 0.00 N ATOM 1488 CA VAL A 45 -8.512 0.966 34.595 1.00 0.00 C ATOM 1489 C VAL A 45 -7.278 0.086 34.388 1.00 0.00 C ATOM 1490 O VAL A 45 -6.834 -0.125 33.277 1.00 0.00 O ATOM 1491 CB VAL A 45 -9.777 0.118 34.455 1.00 0.00 C ATOM 1492 CG1 VAL A 45 -10.989 0.939 34.898 1.00 0.00 C ATOM 1493 CG2 VAL A 45 -9.960 -0.298 32.996 1.00 0.00 C ATOM 0 H VAL A 45 -8.229 1.791 32.641 1.00 0.00 H new ATOM 0 HA VAL A 45 -8.477 1.403 35.593 1.00 0.00 H new ATOM 0 HB VAL A 45 -9.685 -0.772 35.078 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -11.892 0.337 34.799 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -10.865 1.239 35.939 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -11.075 1.827 34.272 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -10.862 -0.902 32.900 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -10.051 0.592 32.373 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -9.097 -0.881 32.673 1.00 0.00 H new ATOM 1503 N VAL A 46 -6.716 -0.418 35.452 1.00 0.00 N ATOM 1504 CA VAL A 46 -5.502 -1.274 35.325 1.00 0.00 C ATOM 1505 C VAL A 46 -5.769 -2.420 34.351 1.00 0.00 C ATOM 1506 O VAL A 46 -6.870 -2.925 34.251 1.00 0.00 O ATOM 1507 CB VAL A 46 -5.136 -1.867 36.686 1.00 0.00 C ATOM 1508 CG1 VAL A 46 -4.776 -0.746 37.660 1.00 0.00 C ATOM 1509 CG2 VAL A 46 -6.329 -2.658 37.229 1.00 0.00 C ATOM 0 H VAL A 46 -7.046 -0.274 36.406 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.682 -0.658 34.956 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.278 -2.530 36.574 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.516 -1.175 38.628 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.926 -0.185 37.271 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.629 -0.077 37.776 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.073 -3.083 38.200 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -7.186 -1.994 37.339 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -6.579 -3.461 36.536 1.00 0.00 H new ATOM 1519 N ARG A 47 -4.758 -2.844 33.643 1.00 0.00 N ATOM 1520 CA ARG A 47 -4.922 -3.970 32.682 1.00 0.00 C ATOM 1521 C ARG A 47 -3.573 -4.700 32.579 1.00 0.00 C ATOM 1522 O ARG A 47 -2.556 -4.055 32.414 1.00 0.00 O ATOM 1523 CB ARG A 47 -5.328 -3.391 31.316 1.00 0.00 C ATOM 1524 CG ARG A 47 -5.560 -4.504 30.274 1.00 0.00 C ATOM 1525 CD ARG A 47 -7.029 -4.953 30.267 1.00 0.00 C ATOM 1526 NE ARG A 47 -7.456 -5.387 31.628 1.00 0.00 N ATOM 1527 CZ ARG A 47 -8.725 -5.473 31.913 1.00 0.00 C ATOM 1528 NH1 ARG A 47 -9.618 -5.187 31.006 1.00 0.00 N ATOM 1529 NH2 ARG A 47 -9.102 -5.849 33.106 1.00 0.00 N ATOM 0 H ARG A 47 -3.817 -2.454 33.690 1.00 0.00 H new ATOM 0 HA ARG A 47 -5.691 -4.669 33.011 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -6.237 -2.800 31.426 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -4.550 -2.716 30.961 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -5.281 -4.144 29.284 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -4.917 -5.355 30.496 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -7.663 -4.134 29.926 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -7.160 -5.773 29.561 1.00 0.00 H new ATOM 0 HE ARG A 47 -6.757 -5.616 32.334 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -9.323 -4.896 30.074 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -10.611 -5.254 31.229 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -8.403 -6.075 33.814 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -10.095 -5.916 33.329 1.00 0.00 H new ATOM 1543 N PRO A 48 -3.533 -6.015 32.685 1.00 0.00 N ATOM 1544 CA PRO A 48 -2.262 -6.786 32.607 1.00 0.00 C ATOM 1545 C PRO A 48 -1.201 -6.126 31.723 1.00 0.00 C ATOM 1546 O PRO A 48 -1.254 -6.186 30.513 1.00 0.00 O ATOM 1547 CB PRO A 48 -2.721 -8.110 32.013 1.00 0.00 C ATOM 1548 CG PRO A 48 -4.065 -8.335 32.634 1.00 0.00 C ATOM 1549 CD PRO A 48 -4.670 -6.941 32.891 1.00 0.00 C ATOM 0 HA PRO A 48 -1.772 -6.870 33.577 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -2.786 -8.059 30.926 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -2.029 -8.917 32.254 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -4.705 -8.919 31.972 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -3.973 -8.895 33.565 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -5.488 -6.728 32.203 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -5.073 -6.860 33.901 1.00 0.00 H new ATOM 1557 N LEU A 49 -0.226 -5.513 32.335 1.00 0.00 N ATOM 1558 CA LEU A 49 0.857 -4.866 31.546 1.00 0.00 C ATOM 1559 C LEU A 49 1.552 -5.936 30.704 1.00 0.00 C ATOM 1560 O LEU A 49 2.304 -5.640 29.797 1.00 0.00 O ATOM 1561 CB LEU A 49 1.868 -4.205 32.487 1.00 0.00 C ATOM 1562 CG LEU A 49 1.222 -3.017 33.214 1.00 0.00 C ATOM 1563 CD1 LEU A 49 2.193 -2.503 34.280 1.00 0.00 C ATOM 1564 CD2 LEU A 49 0.898 -1.884 32.223 1.00 0.00 C ATOM 0 H LEU A 49 -0.133 -5.433 33.348 1.00 0.00 H new ATOM 0 HA LEU A 49 0.434 -4.098 30.898 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.228 -4.933 33.214 1.00 0.00 H new ATOM 0 HB3 LEU A 49 2.735 -3.865 31.920 1.00 0.00 H new ATOM 0 HG LEU A 49 0.292 -3.345 33.678 1.00 0.00 H new ATOM 0 HD11 LEU A 49 1.745 -1.658 34.803 1.00 0.00 H new ATOM 0 HD12 LEU A 49 2.406 -3.300 34.993 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.120 -2.184 33.804 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.441 -1.052 32.758 1.00 0.00 H new ATOM 0 HD22 LEU A 49 1.817 -1.546 31.744 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.207 -2.251 31.464 1.00 0.00 H new ATOM 1576 N SER A 50 1.308 -7.182 31.007 1.00 0.00 N ATOM 1577 CA SER A 50 1.956 -8.278 30.237 1.00 0.00 C ATOM 1578 C SER A 50 1.630 -8.109 28.753 1.00 0.00 C ATOM 1579 O SER A 50 2.185 -8.782 27.907 1.00 0.00 O ATOM 1580 CB SER A 50 1.433 -9.630 30.722 1.00 0.00 C ATOM 1581 OG SER A 50 0.107 -9.816 30.246 1.00 0.00 O ATOM 0 H SER A 50 0.687 -7.487 31.756 1.00 0.00 H new ATOM 0 HA SER A 50 3.035 -8.237 30.385 1.00 0.00 H new ATOM 0 HB2 SER A 50 2.077 -10.433 30.363 1.00 0.00 H new ATOM 0 HB3 SER A 50 1.450 -9.671 31.811 1.00 0.00 H new ATOM 0 HG SER A 50 -0.232 -10.683 30.553 1.00 0.00 H new ATOM 1587 N LEU A 51 0.759 -7.195 28.424 1.00 0.00 N ATOM 1588 CA LEU A 51 0.437 -6.971 26.985 1.00 0.00 C ATOM 1589 C LEU A 51 1.642 -6.289 26.343 1.00 0.00 C ATOM 1590 O LEU A 51 2.029 -6.588 25.230 1.00 0.00 O ATOM 1591 CB LEU A 51 -0.769 -6.040 26.856 1.00 0.00 C ATOM 1592 CG LEU A 51 -2.009 -6.673 27.495 1.00 0.00 C ATOM 1593 CD1 LEU A 51 -3.045 -5.580 27.756 1.00 0.00 C ATOM 1594 CD2 LEU A 51 -2.617 -7.725 26.558 1.00 0.00 C ATOM 0 H LEU A 51 0.260 -6.598 29.083 1.00 0.00 H new ATOM 0 HA LEU A 51 0.210 -7.922 26.502 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.552 -5.086 27.337 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.962 -5.830 25.804 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.721 -7.155 28.429 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -3.932 -6.021 28.211 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.624 -4.833 28.430 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.318 -5.105 26.814 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.497 -8.165 27.027 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.904 -7.253 25.619 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.882 -8.506 26.362 1.00 0.00 H new ATOM 1606 N LYS A 52 2.238 -5.372 27.053 1.00 0.00 N ATOM 1607 CA LYS A 52 3.430 -4.645 26.531 1.00 0.00 C ATOM 1608 C LYS A 52 4.402 -5.632 25.878 1.00 0.00 C ATOM 1609 O LYS A 52 4.439 -6.800 26.213 1.00 0.00 O ATOM 1610 CB LYS A 52 4.109 -3.934 27.712 1.00 0.00 C ATOM 1611 CG LYS A 52 5.440 -3.271 27.288 1.00 0.00 C ATOM 1612 CD LYS A 52 6.637 -4.164 27.658 1.00 0.00 C ATOM 1613 CE LYS A 52 7.946 -3.410 27.410 1.00 0.00 C ATOM 1614 NZ LYS A 52 8.206 -2.477 28.543 1.00 0.00 N ATOM 0 H LYS A 52 1.945 -5.091 27.989 1.00 0.00 H new ATOM 0 HA LYS A 52 3.129 -3.917 25.778 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.437 -3.177 28.117 1.00 0.00 H new ATOM 0 HB3 LYS A 52 4.298 -4.652 28.510 1.00 0.00 H new ATOM 0 HG2 LYS A 52 5.435 -3.089 26.213 1.00 0.00 H new ATOM 0 HG3 LYS A 52 5.540 -2.301 27.775 1.00 0.00 H new ATOM 0 HD2 LYS A 52 6.571 -4.461 28.705 1.00 0.00 H new ATOM 0 HD3 LYS A 52 6.616 -5.079 27.066 1.00 0.00 H new ATOM 0 HE2 LYS A 52 8.771 -4.116 27.310 1.00 0.00 H new ATOM 0 HE3 LYS A 52 7.886 -2.854 26.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 9.230 -2.317 28.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 7.729 -1.571 28.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 7.841 -2.891 29.424 1.00 0.00 H new ATOM 1628 N THR A 53 5.208 -5.158 24.964 1.00 0.00 N ATOM 1629 CA THR A 53 6.209 -6.038 24.291 1.00 0.00 C ATOM 1630 C THR A 53 7.427 -5.192 23.918 1.00 0.00 C ATOM 1631 O THR A 53 7.384 -3.979 23.969 1.00 0.00 O ATOM 1632 CB THR A 53 5.605 -6.655 23.027 1.00 0.00 C ATOM 1633 OG1 THR A 53 6.651 -7.086 22.167 1.00 0.00 O ATOM 1634 CG2 THR A 53 4.737 -5.622 22.306 1.00 0.00 C ATOM 0 H THR A 53 5.215 -4.187 24.652 1.00 0.00 H new ATOM 0 HA THR A 53 6.501 -6.843 24.965 1.00 0.00 H new ATOM 0 HB THR A 53 4.985 -7.508 23.303 1.00 0.00 H new ATOM 0 HG1 THR A 53 6.266 -7.483 21.358 1.00 0.00 H new ATOM 0 HG21 THR A 53 4.311 -6.068 21.408 1.00 0.00 H new ATOM 0 HG22 THR A 53 3.933 -5.298 22.967 1.00 0.00 H new ATOM 0 HG23 THR A 53 5.348 -4.763 22.029 1.00 0.00 H new ATOM 1642 N ASP A 54 8.517 -5.810 23.547 1.00 0.00 N ATOM 1643 CA ASP A 54 9.731 -5.017 23.180 1.00 0.00 C ATOM 1644 C ASP A 54 9.717 -4.762 21.676 1.00 0.00 C ATOM 1645 O ASP A 54 10.549 -4.050 21.147 1.00 0.00 O ATOM 1646 CB ASP A 54 10.991 -5.812 23.530 1.00 0.00 C ATOM 1647 CG ASP A 54 11.086 -5.994 25.045 1.00 0.00 C ATOM 1648 OD1 ASP A 54 10.953 -5.008 25.750 1.00 0.00 O ATOM 1649 OD2 ASP A 54 11.295 -7.117 25.473 1.00 0.00 O ATOM 0 H ASP A 54 8.621 -6.823 23.482 1.00 0.00 H new ATOM 0 HA ASP A 54 9.728 -4.074 23.727 1.00 0.00 H new ATOM 0 HB2 ASP A 54 10.966 -6.785 23.039 1.00 0.00 H new ATOM 0 HB3 ASP A 54 11.875 -5.291 23.161 1.00 0.00 H new ATOM 1654 N VAL A 55 8.766 -5.336 20.990 1.00 0.00 N ATOM 1655 CA VAL A 55 8.657 -5.145 19.513 1.00 0.00 C ATOM 1656 C VAL A 55 7.404 -4.319 19.219 1.00 0.00 C ATOM 1657 O VAL A 55 6.340 -4.582 19.742 1.00 0.00 O ATOM 1658 CB VAL A 55 8.547 -6.510 18.832 1.00 0.00 C ATOM 1659 CG1 VAL A 55 8.454 -6.321 17.316 1.00 0.00 C ATOM 1660 CG2 VAL A 55 9.783 -7.350 19.166 1.00 0.00 C ATOM 0 H VAL A 55 8.049 -5.938 21.395 1.00 0.00 H new ATOM 0 HA VAL A 55 9.538 -4.628 19.134 1.00 0.00 H new ATOM 0 HB VAL A 55 7.653 -7.021 19.189 1.00 0.00 H new ATOM 0 HG11 VAL A 55 8.376 -7.295 16.832 1.00 0.00 H new ATOM 0 HG12 VAL A 55 7.573 -5.725 17.077 1.00 0.00 H new ATOM 0 HG13 VAL A 55 9.347 -5.809 16.958 1.00 0.00 H new ATOM 0 HG21 VAL A 55 9.704 -8.323 18.680 1.00 0.00 H new ATOM 0 HG22 VAL A 55 10.677 -6.839 18.810 1.00 0.00 H new ATOM 0 HG23 VAL A 55 9.849 -7.488 20.245 1.00 0.00 H new ATOM 1670 N ILE A 56 7.527 -3.323 18.382 1.00 0.00 N ATOM 1671 CA ILE A 56 6.357 -2.462 18.030 1.00 0.00 C ATOM 1672 C ILE A 56 5.948 -2.753 16.587 1.00 0.00 C ATOM 1673 O ILE A 56 6.781 -2.870 15.711 1.00 0.00 O ATOM 1674 CB ILE A 56 6.754 -0.989 18.159 1.00 0.00 C ATOM 1675 CG1 ILE A 56 7.185 -0.709 19.600 1.00 0.00 C ATOM 1676 CG2 ILE A 56 5.554 -0.107 17.804 1.00 0.00 C ATOM 1677 CD1 ILE A 56 7.851 0.666 19.681 1.00 0.00 C ATOM 0 H ILE A 56 8.399 -3.065 17.921 1.00 0.00 H new ATOM 0 HA ILE A 56 5.525 -2.672 18.702 1.00 0.00 H new ATOM 0 HB ILE A 56 7.579 -0.769 17.481 1.00 0.00 H new ATOM 0 HG12 ILE A 56 6.320 -0.744 20.262 1.00 0.00 H new ATOM 0 HG13 ILE A 56 7.877 -1.480 19.939 1.00 0.00 H new ATOM 0 HG21 ILE A 56 5.834 0.942 17.895 1.00 0.00 H new ATOM 0 HG22 ILE A 56 5.242 -0.312 16.780 1.00 0.00 H new ATOM 0 HG23 ILE A 56 4.730 -0.323 18.484 1.00 0.00 H new ATOM 0 HD11 ILE A 56 8.157 0.862 20.709 1.00 0.00 H new ATOM 0 HD12 ILE A 56 8.727 0.685 19.032 1.00 0.00 H new ATOM 0 HD13 ILE A 56 7.145 1.432 19.360 1.00 0.00 H new ATOM 1689 N LYS A 57 4.676 -2.884 16.326 1.00 0.00 N ATOM 1690 CA LYS A 57 4.243 -3.180 14.932 1.00 0.00 C ATOM 1691 C LYS A 57 4.247 -1.875 14.135 1.00 0.00 C ATOM 1692 O LYS A 57 3.640 -0.897 14.522 1.00 0.00 O ATOM 1693 CB LYS A 57 2.834 -3.778 14.949 1.00 0.00 C ATOM 1694 CG LYS A 57 2.525 -4.404 13.586 1.00 0.00 C ATOM 1695 CD LYS A 57 1.210 -5.183 13.668 1.00 0.00 C ATOM 1696 CE LYS A 57 1.020 -5.998 12.389 1.00 0.00 C ATOM 1697 NZ LYS A 57 0.771 -5.076 11.245 1.00 0.00 N ATOM 0 H LYS A 57 3.925 -2.800 17.011 1.00 0.00 H new ATOM 0 HA LYS A 57 4.922 -3.897 14.471 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.757 -4.532 15.732 1.00 0.00 H new ATOM 0 HB3 LYS A 57 2.102 -3.004 15.179 1.00 0.00 H new ATOM 0 HG2 LYS A 57 2.453 -3.627 12.825 1.00 0.00 H new ATOM 0 HG3 LYS A 57 3.336 -5.069 13.287 1.00 0.00 H new ATOM 0 HD2 LYS A 57 1.220 -5.844 14.535 1.00 0.00 H new ATOM 0 HD3 LYS A 57 0.375 -4.495 13.801 1.00 0.00 H new ATOM 0 HE2 LYS A 57 1.906 -6.603 12.196 1.00 0.00 H new ATOM 0 HE3 LYS A 57 0.182 -6.686 12.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 0.508 -5.629 10.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -0.003 -4.424 11.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 1.634 -4.531 11.045 1.00 0.00 H new ATOM 1711 N LYS A 58 4.942 -1.850 13.030 1.00 0.00 N ATOM 1712 CA LYS A 58 5.005 -0.603 12.216 1.00 0.00 C ATOM 1713 C LYS A 58 3.809 -0.531 11.266 1.00 0.00 C ATOM 1714 O LYS A 58 3.566 -1.433 10.488 1.00 0.00 O ATOM 1715 CB LYS A 58 6.296 -0.596 11.396 1.00 0.00 C ATOM 1716 CG LYS A 58 7.496 -0.493 12.338 1.00 0.00 C ATOM 1717 CD LYS A 58 8.793 -0.475 11.521 1.00 0.00 C ATOM 1718 CE LYS A 58 9.008 -1.820 10.807 1.00 0.00 C ATOM 1719 NZ LYS A 58 8.415 -1.756 9.441 1.00 0.00 N ATOM 0 H LYS A 58 5.469 -2.639 12.656 1.00 0.00 H new ATOM 0 HA LYS A 58 4.983 0.257 12.886 1.00 0.00 H new ATOM 0 HB2 LYS A 58 6.365 -1.505 10.799 1.00 0.00 H new ATOM 0 HB3 LYS A 58 6.293 0.243 10.700 1.00 0.00 H new ATOM 0 HG2 LYS A 58 7.421 0.412 12.940 1.00 0.00 H new ATOM 0 HG3 LYS A 58 7.502 -1.336 13.029 1.00 0.00 H new ATOM 0 HD2 LYS A 58 8.754 0.329 10.787 1.00 0.00 H new ATOM 0 HD3 LYS A 58 9.638 -0.267 12.177 1.00 0.00 H new ATOM 0 HE2 LYS A 58 10.073 -2.044 10.743 1.00 0.00 H new ATOM 0 HE3 LYS A 58 8.547 -2.625 11.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 7.633 -2.438 9.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 8.055 -0.797 9.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 9.143 -1.988 8.735 1.00 0.00 H new ATOM 1733 N ARG A 59 3.057 0.534 11.327 1.00 0.00 N ATOM 1734 CA ARG A 59 1.869 0.675 10.436 1.00 0.00 C ATOM 1735 C ARG A 59 2.258 1.514 9.218 1.00 0.00 C ATOM 1736 O ARG A 59 3.359 2.018 9.125 1.00 0.00 O ATOM 1737 CB ARG A 59 0.743 1.385 11.200 1.00 0.00 C ATOM 1738 CG ARG A 59 0.190 0.485 12.317 1.00 0.00 C ATOM 1739 CD ARG A 59 -0.810 -0.533 11.752 1.00 0.00 C ATOM 1740 NE ARG A 59 -2.030 0.174 11.274 1.00 0.00 N ATOM 1741 CZ ARG A 59 -2.872 -0.448 10.496 1.00 0.00 C ATOM 1742 NH1 ARG A 59 -2.655 -1.692 10.169 1.00 0.00 N ATOM 1743 NH2 ARG A 59 -3.932 0.169 10.050 1.00 0.00 N ATOM 0 H ARG A 59 3.215 1.318 11.960 1.00 0.00 H new ATOM 0 HA ARG A 59 1.528 -0.309 10.115 1.00 0.00 H new ATOM 0 HB2 ARG A 59 1.118 2.315 11.628 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -0.058 1.651 10.511 1.00 0.00 H new ATOM 0 HG2 ARG A 59 1.010 -0.038 12.808 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -0.297 1.097 13.076 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -0.355 -1.088 10.932 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -1.076 -1.260 12.519 1.00 0.00 H new ATOM 0 HE ARG A 59 -2.206 1.139 11.553 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -1.829 -2.175 10.522 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -3.311 -2.181 9.561 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -4.104 1.140 10.310 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -4.589 -0.320 9.442 1.00 0.00 H new ATOM 1757 N ASN A 60 1.371 1.648 8.272 1.00 0.00 N ATOM 1758 CA ASN A 60 1.699 2.431 7.050 1.00 0.00 C ATOM 1759 C ASN A 60 1.612 3.925 7.363 1.00 0.00 C ATOM 1760 O ASN A 60 1.549 4.327 8.507 1.00 0.00 O ATOM 1761 CB ASN A 60 0.707 2.081 5.937 1.00 0.00 C ATOM 1762 CG ASN A 60 -0.700 2.523 6.342 1.00 0.00 C ATOM 1763 OD1 ASN A 60 -0.895 3.064 7.412 1.00 0.00 O ATOM 1764 ND2 ASN A 60 -1.699 2.311 5.527 1.00 0.00 N ATOM 0 H ASN A 60 0.433 1.249 8.293 1.00 0.00 H new ATOM 0 HA ASN A 60 2.710 2.188 6.723 1.00 0.00 H new ATOM 0 HB2 ASN A 60 0.999 2.572 5.009 1.00 0.00 H new ATOM 0 HB3 ASN A 60 0.721 1.008 5.748 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -2.641 2.600 5.789 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -1.536 1.857 4.628 1.00 0.00 H new