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 159:sc= 1.94 USER MOD Set 1.2: A 15 CYS SG : rot -60:sc= 0.131 USER MOD Set 1.3: A 17 THR OG1 : rot 98:sc= -0.57! USER MOD Set 1.4: A 20 THR OG1 : rot -122:sc= -0.196 USER MOD Set 1.5: A 33 CYS SG : rot -135:sc= 1.17 USER MOD Set 1.6: A 34 ASN : amide:sc= -2.72! C(o=-0.066!,f=-9.3!) USER MOD Set 1.7: A 36 CYS SG : rot 146:sc= 0.177 USER MOD Single : A 11 THR OG1 : rot 28:sc= 0.218 USER MOD Single : A 13 THR OG1 : rot 160:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -5.94! C(o=-5.9!,f=-5.2!) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -1.69! K(o=-1.7!,f=-2.7) USER MOD Single : A 30 GLN : amide:sc= -0.481 X(o=-0.48,f=-0.22) USER MOD Single : A 41 LYS NZ :NH3+ -152:sc= -0.167 (180deg=-1) USER MOD Single : A 43 HIS : no HE2:sc= -7.96! C(o=-8!,f=-13!) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ -135:sc= 0.8 (180deg=0.0579) USER MOD Single : A 53 THR OG1 : rot 146:sc= -0.922 USER MOD Single : A 57 LYS NZ :NH3+ 122:sc= -0.0756 (180deg=-0.576) USER MOD Single : A 58 LYS NZ :NH3+ -175:sc= -1.52 (180deg=-1.68) USER MOD Single : A 60 ASN : amide:sc= -0.942 K(o=-0.94,f=-6.2!) USER MOD ----------------------------------------------------------------- ATOM 970 N THR A 11 12.042 6.746 30.900 1.00 0.00 N ATOM 971 CA THR A 11 11.558 5.390 31.313 1.00 0.00 C ATOM 972 C THR A 11 10.052 5.443 31.585 1.00 0.00 C ATOM 973 O THR A 11 9.556 6.352 32.221 1.00 0.00 O ATOM 974 CB THR A 11 12.280 4.946 32.589 1.00 0.00 C ATOM 975 OG1 THR A 11 13.684 5.041 32.393 1.00 0.00 O ATOM 976 CG2 THR A 11 11.902 3.497 32.912 1.00 0.00 C ATOM 0 HA THR A 11 11.764 4.681 30.511 1.00 0.00 H new ATOM 0 HB THR A 11 11.985 5.589 33.418 1.00 0.00 H new ATOM 0 HG1 THR A 11 13.876 5.741 31.735 1.00 0.00 H new ATOM 0 HG21 THR A 11 12.416 3.181 33.820 1.00 0.00 H new ATOM 0 HG22 THR A 11 10.825 3.427 33.061 1.00 0.00 H new ATOM 0 HG23 THR A 11 12.197 2.851 32.085 1.00 0.00 H new ATOM 984 N CYS A 12 9.322 4.465 31.117 1.00 0.00 N ATOM 985 CA CYS A 12 7.852 4.453 31.363 1.00 0.00 C ATOM 986 C CYS A 12 7.594 3.937 32.778 1.00 0.00 C ATOM 987 O CYS A 12 7.794 2.775 33.074 1.00 0.00 O ATOM 988 CB CYS A 12 7.152 3.542 30.357 1.00 0.00 C ATOM 989 SG CYS A 12 5.375 3.889 30.389 1.00 0.00 S ATOM 0 H CYS A 12 9.680 3.677 30.577 1.00 0.00 H new ATOM 0 HA CYS A 12 7.460 5.464 31.251 1.00 0.00 H new ATOM 0 HB2 CYS A 12 7.551 3.709 29.356 1.00 0.00 H new ATOM 0 HB3 CYS A 12 7.336 2.496 30.603 1.00 0.00 H new ATOM 0 HG CYS A 12 4.833 3.480 29.281 1.00 0.00 H new ATOM 994 N THR A 13 7.150 4.794 33.653 1.00 0.00 N ATOM 995 CA THR A 13 6.887 4.360 35.052 1.00 0.00 C ATOM 996 C THR A 13 5.767 3.319 35.075 1.00 0.00 C ATOM 997 O THR A 13 5.529 2.690 36.087 1.00 0.00 O ATOM 998 CB THR A 13 6.461 5.564 35.895 1.00 0.00 C ATOM 999 OG1 THR A 13 5.198 6.030 35.442 1.00 0.00 O ATOM 1000 CG2 THR A 13 7.496 6.682 35.768 1.00 0.00 C ATOM 0 H THR A 13 6.958 5.777 33.460 1.00 0.00 H new ATOM 0 HA THR A 13 7.799 3.925 35.461 1.00 0.00 H new ATOM 0 HB THR A 13 6.388 5.265 36.941 1.00 0.00 H new ATOM 0 HG1 THR A 13 4.776 6.566 36.145 1.00 0.00 H new ATOM 0 HG21 THR A 13 7.186 7.535 36.371 1.00 0.00 H new ATOM 0 HG22 THR A 13 8.464 6.323 36.118 1.00 0.00 H new ATOM 0 HG23 THR A 13 7.577 6.986 34.724 1.00 0.00 H new ATOM 1008 N ASN A 14 5.062 3.137 33.986 1.00 0.00 N ATOM 1009 CA ASN A 14 3.944 2.143 33.973 1.00 0.00 C ATOM 1010 C ASN A 14 4.381 0.818 33.338 1.00 0.00 C ATOM 1011 O ASN A 14 3.899 -0.227 33.724 1.00 0.00 O ATOM 1012 CB ASN A 14 2.771 2.709 33.162 1.00 0.00 C ATOM 1013 CG ASN A 14 1.992 3.719 34.005 1.00 0.00 C ATOM 1014 OD1 ASN A 14 2.310 3.945 35.155 1.00 0.00 O ATOM 1015 ND2 ASN A 14 0.965 4.326 33.477 1.00 0.00 N ATOM 0 H ASN A 14 5.212 3.632 33.107 1.00 0.00 H new ATOM 0 HA ASN A 14 3.648 1.956 35.005 1.00 0.00 H new ATOM 0 HB2 ASN A 14 3.142 3.188 32.256 1.00 0.00 H new ATOM 0 HB3 ASN A 14 2.112 1.900 32.847 1.00 0.00 H new ATOM 0 HD21 ASN A 14 0.427 4.993 34.030 1.00 0.00 H new ATOM 0 HD22 ASN A 14 0.700 4.134 32.511 1.00 0.00 H new ATOM 1022 N CYS A 15 5.249 0.832 32.352 1.00 0.00 N ATOM 1023 CA CYS A 15 5.646 -0.461 31.700 1.00 0.00 C ATOM 1024 C CYS A 15 7.149 -0.508 31.412 1.00 0.00 C ATOM 1025 O CYS A 15 7.610 -1.333 30.650 1.00 0.00 O ATOM 1026 CB CYS A 15 4.849 -0.641 30.403 1.00 0.00 C ATOM 1027 SG CYS A 15 5.533 0.397 29.087 1.00 0.00 S ATOM 0 H CYS A 15 5.694 1.668 31.974 1.00 0.00 H new ATOM 0 HA CYS A 15 5.420 -1.277 32.387 1.00 0.00 H new ATOM 0 HB2 CYS A 15 4.872 -1.687 30.098 1.00 0.00 H new ATOM 0 HB3 CYS A 15 3.804 -0.381 30.573 1.00 0.00 H new ATOM 0 HG CYS A 15 5.474 1.646 29.444 1.00 0.00 H new ATOM 1032 N PHE A 16 7.921 0.340 32.034 1.00 0.00 N ATOM 1033 CA PHE A 16 9.401 0.317 31.832 1.00 0.00 C ATOM 1034 C PHE A 16 9.782 0.453 30.354 1.00 0.00 C ATOM 1035 O PHE A 16 10.949 0.434 30.018 1.00 0.00 O ATOM 1036 CB PHE A 16 9.972 -0.997 32.375 1.00 0.00 C ATOM 1037 CG PHE A 16 9.671 -1.120 33.850 1.00 0.00 C ATOM 1038 CD1 PHE A 16 10.552 -0.576 34.792 1.00 0.00 C ATOM 1039 CD2 PHE A 16 8.513 -1.782 34.274 1.00 0.00 C ATOM 1040 CE1 PHE A 16 10.274 -0.693 36.159 1.00 0.00 C ATOM 1041 CE2 PHE A 16 8.236 -1.900 35.642 1.00 0.00 C ATOM 1042 CZ PHE A 16 9.116 -1.355 36.584 1.00 0.00 C ATOM 0 H PHE A 16 7.588 1.056 32.680 1.00 0.00 H new ATOM 0 HA PHE A 16 9.819 1.169 32.369 1.00 0.00 H new ATOM 0 HB2 PHE A 16 9.541 -1.841 31.836 1.00 0.00 H new ATOM 0 HB3 PHE A 16 11.049 -1.030 32.211 1.00 0.00 H new ATOM 0 HD1 PHE A 16 11.446 -0.066 34.464 1.00 0.00 H new ATOM 0 HD2 PHE A 16 7.833 -2.202 33.547 1.00 0.00 H new ATOM 0 HE1 PHE A 16 10.953 -0.272 36.886 1.00 0.00 H new ATOM 0 HE2 PHE A 16 7.343 -2.412 35.970 1.00 0.00 H new ATOM 0 HZ PHE A 16 8.902 -1.445 37.639 1.00 0.00 H new ATOM 1052 N THR A 17 8.840 0.572 29.457 1.00 0.00 N ATOM 1053 CA THR A 17 9.229 0.683 28.022 1.00 0.00 C ATOM 1054 C THR A 17 10.113 1.915 27.835 1.00 0.00 C ATOM 1055 O THR A 17 9.772 3.004 28.249 1.00 0.00 O ATOM 1056 CB THR A 17 7.975 0.815 27.149 1.00 0.00 C ATOM 1057 OG1 THR A 17 7.251 -0.405 27.176 1.00 0.00 O ATOM 1058 CG2 THR A 17 8.378 1.136 25.708 1.00 0.00 C ATOM 0 H THR A 17 7.839 0.597 29.649 1.00 0.00 H new ATOM 0 HA THR A 17 9.776 -0.212 27.726 1.00 0.00 H new ATOM 0 HB THR A 17 7.351 1.620 27.536 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.523 -0.339 27.829 1.00 0.00 H new ATOM 0 HG21 THR A 17 7.483 1.229 25.092 1.00 0.00 H new ATOM 0 HG22 THR A 17 8.933 2.074 25.686 1.00 0.00 H new ATOM 0 HG23 THR A 17 9.005 0.334 25.318 1.00 0.00 H new ATOM 1066 N GLN A 18 11.255 1.739 27.221 1.00 0.00 N ATOM 1067 CA GLN A 18 12.195 2.878 26.997 1.00 0.00 C ATOM 1068 C GLN A 18 12.175 3.270 25.518 1.00 0.00 C ATOM 1069 O GLN A 18 12.825 4.211 25.108 1.00 0.00 O ATOM 1070 CB GLN A 18 13.608 2.434 27.385 1.00 0.00 C ATOM 1071 CG GLN A 18 13.648 2.129 28.883 1.00 0.00 C ATOM 1072 CD GLN A 18 15.052 1.667 29.276 1.00 0.00 C ATOM 1073 OE1 GLN A 18 15.661 0.876 28.581 1.00 0.00 O ATOM 1074 NE2 GLN A 18 15.597 2.129 30.367 1.00 0.00 N ATOM 0 H GLN A 18 11.580 0.842 26.861 1.00 0.00 H new ATOM 0 HA GLN A 18 11.894 3.733 27.602 1.00 0.00 H new ATOM 0 HB2 GLN A 18 13.893 1.550 26.814 1.00 0.00 H new ATOM 0 HB3 GLN A 18 14.327 3.216 27.142 1.00 0.00 H new ATOM 0 HG2 GLN A 18 13.374 3.017 29.452 1.00 0.00 H new ATOM 0 HG3 GLN A 18 12.919 1.356 29.127 1.00 0.00 H new ATOM 0 HE21 GLN A 18 15.087 2.792 30.950 1.00 0.00 H new ATOM 0 HE22 GLN A 18 16.533 1.827 30.637 1.00 0.00 H new ATOM 1083 N THR A 19 11.433 2.548 24.718 1.00 0.00 N ATOM 1084 CA THR A 19 11.353 2.851 23.255 1.00 0.00 C ATOM 1085 C THR A 19 9.896 3.158 22.895 1.00 0.00 C ATOM 1086 O THR A 19 8.999 2.415 23.239 1.00 0.00 O ATOM 1087 CB THR A 19 11.824 1.619 22.475 1.00 0.00 C ATOM 1088 OG1 THR A 19 13.165 1.317 22.835 1.00 0.00 O ATOM 1089 CG2 THR A 19 11.752 1.894 20.972 1.00 0.00 C ATOM 0 H THR A 19 10.872 1.751 25.019 1.00 0.00 H new ATOM 0 HA THR A 19 11.980 3.707 23.007 1.00 0.00 H new ATOM 0 HB THR A 19 11.179 0.774 22.716 1.00 0.00 H new ATOM 0 HG1 THR A 19 13.467 0.528 22.338 1.00 0.00 H new ATOM 0 HG21 THR A 19 12.088 1.014 20.424 1.00 0.00 H new ATOM 0 HG22 THR A 19 10.724 2.124 20.693 1.00 0.00 H new ATOM 0 HG23 THR A 19 12.393 2.741 20.726 1.00 0.00 H new ATOM 1097 N THR A 20 9.644 4.245 22.214 1.00 0.00 N ATOM 1098 CA THR A 20 8.234 4.572 21.857 1.00 0.00 C ATOM 1099 C THR A 20 8.200 5.694 20.807 1.00 0.00 C ATOM 1100 O THR A 20 9.066 6.546 20.786 1.00 0.00 O ATOM 1101 CB THR A 20 7.498 5.029 23.121 1.00 0.00 C ATOM 1102 OG1 THR A 20 6.281 5.667 22.762 1.00 0.00 O ATOM 1103 CG2 THR A 20 8.374 6.012 23.900 1.00 0.00 C ATOM 0 H THR A 20 10.345 4.913 21.893 1.00 0.00 H new ATOM 0 HA THR A 20 7.750 3.689 21.441 1.00 0.00 H new ATOM 0 HB THR A 20 7.283 4.160 23.743 1.00 0.00 H new ATOM 0 HG1 THR A 20 6.271 6.578 23.123 1.00 0.00 H new ATOM 0 HG21 THR A 20 7.848 6.335 24.798 1.00 0.00 H new ATOM 0 HG22 THR A 20 9.307 5.524 24.182 1.00 0.00 H new ATOM 0 HG23 THR A 20 8.592 6.879 23.276 1.00 0.00 H new ATOM 1111 N PRO A 21 7.204 5.713 19.949 1.00 0.00 N ATOM 1112 CA PRO A 21 7.066 6.771 18.899 1.00 0.00 C ATOM 1113 C PRO A 21 6.826 8.160 19.505 1.00 0.00 C ATOM 1114 O PRO A 21 7.161 9.169 18.917 1.00 0.00 O ATOM 1115 CB PRO A 21 5.850 6.314 18.075 1.00 0.00 C ATOM 1116 CG PRO A 21 5.066 5.449 19.003 1.00 0.00 C ATOM 1117 CD PRO A 21 6.102 4.736 19.869 1.00 0.00 C ATOM 0 HA PRO A 21 7.973 6.876 18.304 1.00 0.00 H new ATOM 0 HB2 PRO A 21 5.260 7.165 17.734 1.00 0.00 H new ATOM 0 HB3 PRO A 21 6.158 5.763 17.186 1.00 0.00 H new ATOM 0 HG2 PRO A 21 4.386 6.043 19.614 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.456 4.733 18.452 1.00 0.00 H new ATOM 0 HD2 PRO A 21 5.705 4.495 20.855 1.00 0.00 H new ATOM 0 HD3 PRO A 21 6.427 3.798 19.418 1.00 0.00 H new ATOM 1125 N VAL A 22 6.245 8.218 20.674 1.00 0.00 N ATOM 1126 CA VAL A 22 5.980 9.541 21.310 1.00 0.00 C ATOM 1127 C VAL A 22 5.781 9.355 22.816 1.00 0.00 C ATOM 1128 O VAL A 22 5.230 8.371 23.267 1.00 0.00 O ATOM 1129 CB VAL A 22 4.722 10.162 20.703 1.00 0.00 C ATOM 1130 CG1 VAL A 22 3.538 9.215 20.903 1.00 0.00 C ATOM 1131 CG2 VAL A 22 4.430 11.494 21.396 1.00 0.00 C ATOM 0 H VAL A 22 5.943 7.408 21.215 1.00 0.00 H new ATOM 0 HA VAL A 22 6.830 10.201 21.134 1.00 0.00 H new ATOM 0 HB VAL A 22 4.876 10.330 19.637 1.00 0.00 H new ATOM 0 HG11 VAL A 22 2.641 9.658 20.470 1.00 0.00 H new ATOM 0 HG12 VAL A 22 3.746 8.264 20.413 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.382 9.047 21.969 1.00 0.00 H new ATOM 0 HG21 VAL A 22 3.533 11.939 20.965 1.00 0.00 H new ATOM 0 HG22 VAL A 22 4.275 11.324 22.461 1.00 0.00 H new ATOM 0 HG23 VAL A 22 5.274 12.170 21.256 1.00 0.00 H new ATOM 1141 N TRP A 23 6.252 10.290 23.598 1.00 0.00 N ATOM 1142 CA TRP A 23 6.122 10.175 25.081 1.00 0.00 C ATOM 1143 C TRP A 23 4.855 10.877 25.577 1.00 0.00 C ATOM 1144 O TRP A 23 4.590 12.017 25.251 1.00 0.00 O ATOM 1145 CB TRP A 23 7.354 10.809 25.734 1.00 0.00 C ATOM 1146 CG TRP A 23 8.515 9.878 25.590 1.00 0.00 C ATOM 1147 CD1 TRP A 23 9.568 10.058 24.760 1.00 0.00 C ATOM 1148 CD2 TRP A 23 8.741 8.613 26.271 1.00 0.00 C ATOM 1149 NE1 TRP A 23 10.431 8.987 24.897 1.00 0.00 N ATOM 1150 CE2 TRP A 23 9.966 8.069 25.817 1.00 0.00 C ATOM 1151 CE3 TRP A 23 8.011 7.896 27.233 1.00 0.00 C ATOM 1152 CZ2 TRP A 23 10.445 6.851 26.303 1.00 0.00 C ATOM 1153 CZ3 TRP A 23 8.490 6.673 27.723 1.00 0.00 C ATOM 1154 CH2 TRP A 23 9.704 6.152 27.259 1.00 0.00 C ATOM 0 H TRP A 23 6.724 11.133 23.272 1.00 0.00 H new ATOM 0 HA TRP A 23 6.051 9.121 25.351 1.00 0.00 H new ATOM 0 HB2 TRP A 23 7.579 11.766 25.264 1.00 0.00 H new ATOM 0 HB3 TRP A 23 7.160 11.009 26.788 1.00 0.00 H new ATOM 0 HD1 TRP A 23 9.711 10.900 24.099 1.00 0.00 H new ATOM 0 HE1 TRP A 23 11.305 8.887 24.381 1.00 0.00 H new ATOM 0 HE3 TRP A 23 7.074 8.290 27.598 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 11.382 6.452 25.942 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 7.920 6.130 28.462 1.00 0.00 H new ATOM 0 HH2 TRP A 23 10.068 5.209 27.640 1.00 0.00 H new ATOM 1165 N ARG A 24 4.076 10.189 26.375 1.00 0.00 N ATOM 1166 CA ARG A 24 2.816 10.775 26.929 1.00 0.00 C ATOM 1167 C ARG A 24 3.028 11.115 28.405 1.00 0.00 C ATOM 1168 O ARG A 24 4.031 10.765 28.997 1.00 0.00 O ATOM 1169 CB ARG A 24 1.680 9.751 26.815 1.00 0.00 C ATOM 1170 CG ARG A 24 1.359 9.454 25.344 1.00 0.00 C ATOM 1171 CD ARG A 24 0.451 10.537 24.751 1.00 0.00 C ATOM 1172 NE ARG A 24 0.259 10.273 23.297 1.00 0.00 N ATOM 1173 CZ ARG A 24 -0.739 10.816 22.658 1.00 0.00 C ATOM 1174 NH1 ARG A 24 -1.614 11.540 23.300 1.00 0.00 N ATOM 1175 NH2 ARG A 24 -0.872 10.619 21.374 1.00 0.00 N ATOM 0 H ARG A 24 4.263 9.231 26.670 1.00 0.00 H new ATOM 0 HA ARG A 24 2.558 11.674 26.370 1.00 0.00 H new ATOM 0 HB2 ARG A 24 1.963 8.829 27.323 1.00 0.00 H new ATOM 0 HB3 ARG A 24 0.790 10.131 27.316 1.00 0.00 H new ATOM 0 HG2 ARG A 24 2.284 9.396 24.771 1.00 0.00 H new ATOM 0 HG3 ARG A 24 0.872 8.482 25.263 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -0.512 10.541 25.262 1.00 0.00 H new ATOM 0 HD3 ARG A 24 0.895 11.522 24.899 1.00 0.00 H new ATOM 0 HE ARG A 24 0.911 9.665 22.800 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -1.519 11.683 24.305 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -2.394 11.963 22.797 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -0.196 10.042 20.874 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -1.652 11.042 20.871 1.00 0.00 H new ATOM 1189 N ARG A 25 2.090 11.800 29.002 1.00 0.00 N ATOM 1190 CA ARG A 25 2.223 12.176 30.441 1.00 0.00 C ATOM 1191 C ARG A 25 0.846 12.139 31.111 1.00 0.00 C ATOM 1192 O ARG A 25 -0.166 11.972 30.461 1.00 0.00 O ATOM 1193 CB ARG A 25 2.823 13.582 30.549 1.00 0.00 C ATOM 1194 CG ARG A 25 2.223 14.493 29.473 1.00 0.00 C ATOM 1195 CD ARG A 25 2.862 15.881 29.557 1.00 0.00 C ATOM 1196 NE ARG A 25 2.187 16.675 30.622 1.00 0.00 N ATOM 1197 CZ ARG A 25 2.727 17.783 31.045 1.00 0.00 C ATOM 1198 NH1 ARG A 25 3.844 18.204 30.517 1.00 0.00 N ATOM 1199 NH2 ARG A 25 2.149 18.475 31.988 1.00 0.00 N ATOM 0 H ARG A 25 1.231 12.118 28.552 1.00 0.00 H new ATOM 0 HA ARG A 25 2.881 11.468 30.944 1.00 0.00 H new ATOM 0 HB2 ARG A 25 2.626 13.995 31.538 1.00 0.00 H new ATOM 0 HB3 ARG A 25 3.906 13.534 30.434 1.00 0.00 H new ATOM 0 HG2 ARG A 25 2.391 14.064 28.485 1.00 0.00 H new ATOM 0 HG3 ARG A 25 1.144 14.570 29.608 1.00 0.00 H new ATOM 0 HD2 ARG A 25 3.926 15.791 29.775 1.00 0.00 H new ATOM 0 HD3 ARG A 25 2.776 16.392 28.598 1.00 0.00 H new ATOM 0 HE ARG A 25 1.305 16.352 31.019 1.00 0.00 H new ATOM 0 HH11 ARG A 25 4.292 17.666 29.775 1.00 0.00 H new ATOM 0 HH12 ARG A 25 4.269 19.071 30.846 1.00 0.00 H new ATOM 0 HH21 ARG A 25 1.273 18.149 32.396 1.00 0.00 H new ATOM 0 HH22 ARG A 25 2.573 19.342 32.318 1.00 0.00 H new ATOM 1213 N ASN A 26 0.811 12.267 32.413 1.00 0.00 N ATOM 1214 CA ASN A 26 -0.485 12.217 33.156 1.00 0.00 C ATOM 1215 C ASN A 26 -0.512 13.384 34.165 1.00 0.00 C ATOM 1216 O ASN A 26 0.525 13.767 34.667 1.00 0.00 O ATOM 1217 CB ASN A 26 -0.536 10.872 33.893 1.00 0.00 C ATOM 1218 CG ASN A 26 -1.978 10.490 34.223 1.00 0.00 C ATOM 1219 OD1 ASN A 26 -2.751 10.172 33.341 1.00 0.00 O ATOM 1220 ND2 ASN A 26 -2.377 10.504 35.464 1.00 0.00 N ATOM 0 H ASN A 26 1.634 12.406 32.999 1.00 0.00 H new ATOM 0 HA ASN A 26 -1.341 12.308 32.488 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -0.081 10.097 33.276 1.00 0.00 H new ATOM 0 HB3 ASN A 26 0.048 10.933 34.811 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -3.337 10.248 35.694 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -1.729 10.771 36.205 1.00 0.00 H new ATOM 1227 N PRO A 27 -1.663 13.965 34.458 1.00 0.00 N ATOM 1228 CA PRO A 27 -1.768 15.109 35.422 1.00 0.00 C ATOM 1229 C PRO A 27 -0.957 14.938 36.717 1.00 0.00 C ATOM 1230 O PRO A 27 -0.931 15.827 37.546 1.00 0.00 O ATOM 1231 CB PRO A 27 -3.265 15.177 35.736 1.00 0.00 C ATOM 1232 CG PRO A 27 -3.922 14.699 34.487 1.00 0.00 C ATOM 1233 CD PRO A 27 -2.995 13.628 33.904 1.00 0.00 C ATOM 0 HA PRO A 27 -1.353 16.015 34.980 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -3.522 14.547 36.588 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -3.574 16.192 35.985 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -4.909 14.287 34.698 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -4.063 15.518 33.782 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -3.308 12.626 34.199 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -2.992 13.653 32.814 1.00 0.00 H new ATOM 1241 N GLU A 28 -0.267 13.840 36.895 1.00 0.00 N ATOM 1242 CA GLU A 28 0.563 13.666 38.128 1.00 0.00 C ATOM 1243 C GLU A 28 2.002 14.061 37.789 1.00 0.00 C ATOM 1244 O GLU A 28 2.830 14.262 38.655 1.00 0.00 O ATOM 1245 CB GLU A 28 0.521 12.202 38.590 1.00 0.00 C ATOM 1246 CG GLU A 28 -0.725 11.956 39.448 1.00 0.00 C ATOM 1247 CD GLU A 28 -1.981 12.124 38.594 1.00 0.00 C ATOM 1248 OE1 GLU A 28 -2.202 11.289 37.734 1.00 0.00 O ATOM 1249 OE2 GLU A 28 -2.698 13.086 38.813 1.00 0.00 O ATOM 0 H GLU A 28 -0.242 13.057 36.242 1.00 0.00 H new ATOM 0 HA GLU A 28 0.176 14.291 38.932 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.513 11.540 37.724 1.00 0.00 H new ATOM 0 HB3 GLU A 28 1.418 11.967 39.162 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -0.694 10.952 39.872 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -0.746 12.655 40.284 1.00 0.00 H new ATOM 1256 N GLY A 29 2.296 14.165 36.523 1.00 0.00 N ATOM 1257 CA GLY A 29 3.671 14.541 36.090 1.00 0.00 C ATOM 1258 C GLY A 29 4.535 13.291 35.945 1.00 0.00 C ATOM 1259 O GLY A 29 5.731 13.378 35.754 1.00 0.00 O ATOM 0 H GLY A 29 1.636 14.004 35.762 1.00 0.00 H new ATOM 0 HA2 GLY A 29 3.628 15.075 35.141 1.00 0.00 H new ATOM 0 HA3 GLY A 29 4.117 15.219 36.818 1.00 0.00 H new ATOM 1263 N GLN A 30 3.942 12.130 36.012 1.00 0.00 N ATOM 1264 CA GLN A 30 4.730 10.874 35.849 1.00 0.00 C ATOM 1265 C GLN A 30 4.799 10.544 34.347 1.00 0.00 C ATOM 1266 O GLN A 30 3.783 10.256 33.747 1.00 0.00 O ATOM 1267 CB GLN A 30 4.017 9.735 36.584 1.00 0.00 C ATOM 1268 CG GLN A 30 4.066 9.982 38.095 1.00 0.00 C ATOM 1269 CD GLN A 30 5.510 9.869 38.590 1.00 0.00 C ATOM 1270 OE1 GLN A 30 5.985 8.788 38.876 1.00 0.00 O ATOM 1271 NE2 GLN A 30 6.232 10.950 38.705 1.00 0.00 N ATOM 0 H GLN A 30 2.944 11.997 36.173 1.00 0.00 H new ATOM 0 HA GLN A 30 5.733 10.997 36.258 1.00 0.00 H new ATOM 0 HB2 GLN A 30 2.981 9.667 36.251 1.00 0.00 H new ATOM 0 HB3 GLN A 30 4.492 8.783 36.346 1.00 0.00 H new ATOM 0 HG2 GLN A 30 3.669 10.971 38.325 1.00 0.00 H new ATOM 0 HG3 GLN A 30 3.436 9.258 38.612 1.00 0.00 H new ATOM 0 HE21 GLN A 30 5.833 11.858 38.465 1.00 0.00 H new ATOM 0 HE22 GLN A 30 7.195 10.887 39.035 1.00 0.00 H new ATOM 1280 N PRO A 31 5.955 10.581 33.716 1.00 0.00 N ATOM 1281 CA PRO A 31 6.051 10.276 32.255 1.00 0.00 C ATOM 1282 C PRO A 31 5.476 8.898 31.895 1.00 0.00 C ATOM 1283 O PRO A 31 5.545 7.960 32.662 1.00 0.00 O ATOM 1284 CB PRO A 31 7.561 10.311 31.961 1.00 0.00 C ATOM 1285 CG PRO A 31 8.155 11.142 33.049 1.00 0.00 C ATOM 1286 CD PRO A 31 7.276 10.926 34.282 1.00 0.00 C ATOM 0 HA PRO A 31 5.473 10.990 31.668 1.00 0.00 H new ATOM 0 HB2 PRO A 31 7.984 9.307 31.958 1.00 0.00 H new ATOM 0 HB3 PRO A 31 7.761 10.745 30.981 1.00 0.00 H new ATOM 0 HG2 PRO A 31 9.184 10.844 33.248 1.00 0.00 H new ATOM 0 HG3 PRO A 31 8.177 12.195 32.767 1.00 0.00 H new ATOM 0 HD2 PRO A 31 7.662 10.126 34.914 1.00 0.00 H new ATOM 0 HD3 PRO A 31 7.225 11.823 34.899 1.00 0.00 H new ATOM 1294 N LEU A 32 4.922 8.790 30.716 1.00 0.00 N ATOM 1295 CA LEU A 32 4.337 7.492 30.253 1.00 0.00 C ATOM 1296 C LEU A 32 4.662 7.286 28.773 1.00 0.00 C ATOM 1297 O LEU A 32 4.773 8.231 28.018 1.00 0.00 O ATOM 1298 CB LEU A 32 2.815 7.516 30.413 1.00 0.00 C ATOM 1299 CG LEU A 32 2.421 7.655 31.886 1.00 0.00 C ATOM 1300 CD1 LEU A 32 0.908 7.872 31.968 1.00 0.00 C ATOM 1301 CD2 LEU A 32 2.789 6.383 32.664 1.00 0.00 C ATOM 0 H LEU A 32 4.848 9.554 30.044 1.00 0.00 H new ATOM 0 HA LEU A 32 4.759 6.685 30.851 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.399 8.346 29.842 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.388 6.601 30.003 1.00 0.00 H new ATOM 0 HG LEU A 32 2.955 8.499 32.323 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.611 7.973 33.012 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.641 8.779 31.425 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.394 7.019 31.525 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.502 6.500 33.709 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.263 5.530 32.236 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.864 6.215 32.600 1.00 0.00 H new ATOM 1313 N CYS A 33 4.784 6.058 28.341 1.00 0.00 N ATOM 1314 CA CYS A 33 5.069 5.810 26.902 1.00 0.00 C ATOM 1315 C CYS A 33 3.789 6.051 26.098 1.00 0.00 C ATOM 1316 O CYS A 33 2.785 6.481 26.632 1.00 0.00 O ATOM 1317 CB CYS A 33 5.582 4.380 26.699 1.00 0.00 C ATOM 1318 SG CYS A 33 4.237 3.187 26.893 1.00 0.00 S ATOM 0 H CYS A 33 4.699 5.223 28.920 1.00 0.00 H new ATOM 0 HA CYS A 33 5.845 6.492 26.555 1.00 0.00 H new ATOM 0 HB2 CYS A 33 6.021 4.283 25.706 1.00 0.00 H new ATOM 0 HB3 CYS A 33 6.372 4.166 27.419 1.00 0.00 H new ATOM 0 HG CYS A 33 4.642 2.192 27.625 1.00 0.00 H new ATOM 1323 N ASN A 34 3.816 5.803 24.819 1.00 0.00 N ATOM 1324 CA ASN A 34 2.603 6.051 23.988 1.00 0.00 C ATOM 1325 C ASN A 34 1.459 5.097 24.361 1.00 0.00 C ATOM 1326 O ASN A 34 0.329 5.512 24.525 1.00 0.00 O ATOM 1327 CB ASN A 34 2.963 5.853 22.514 1.00 0.00 C ATOM 1328 CG ASN A 34 3.434 4.416 22.288 1.00 0.00 C ATOM 1329 OD1 ASN A 34 3.839 3.743 23.215 1.00 0.00 O ATOM 1330 ND2 ASN A 34 3.395 3.912 21.084 1.00 0.00 N ATOM 0 H ASN A 34 4.623 5.440 24.313 1.00 0.00 H new ATOM 0 HA ASN A 34 2.265 7.071 24.169 1.00 0.00 H new ATOM 0 HB2 ASN A 34 2.097 6.065 21.886 1.00 0.00 H new ATOM 0 HB3 ASN A 34 3.747 6.553 22.224 1.00 0.00 H new ATOM 0 HD21 ASN A 34 3.704 2.954 20.922 1.00 0.00 H new ATOM 0 HD22 ASN A 34 3.055 4.477 20.306 1.00 0.00 H new ATOM 1337 N ALA A 35 1.724 3.823 24.461 1.00 0.00 N ATOM 1338 CA ALA A 35 0.630 2.854 24.778 1.00 0.00 C ATOM 1339 C ALA A 35 0.005 3.114 26.158 1.00 0.00 C ATOM 1340 O ALA A 35 -1.201 3.192 26.286 1.00 0.00 O ATOM 1341 CB ALA A 35 1.189 1.432 24.725 1.00 0.00 C ATOM 0 H ALA A 35 2.648 3.409 24.338 1.00 0.00 H new ATOM 0 HA ALA A 35 -0.157 2.983 24.035 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.396 0.721 24.955 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.578 1.231 23.727 1.00 0.00 H new ATOM 0 HB3 ALA A 35 1.992 1.329 25.455 1.00 0.00 H new ATOM 1347 N CYS A 36 0.794 3.223 27.197 1.00 0.00 N ATOM 1348 CA CYS A 36 0.203 3.445 28.555 1.00 0.00 C ATOM 1349 C CYS A 36 -0.619 4.735 28.577 1.00 0.00 C ATOM 1350 O CYS A 36 -1.708 4.777 29.114 1.00 0.00 O ATOM 1351 CB CYS A 36 1.313 3.569 29.602 1.00 0.00 C ATOM 1352 SG CYS A 36 2.196 1.999 29.769 1.00 0.00 S ATOM 0 H CYS A 36 1.812 3.169 27.167 1.00 0.00 H new ATOM 0 HA CYS A 36 -0.437 2.593 28.784 1.00 0.00 H new ATOM 0 HB2 CYS A 36 2.009 4.357 29.313 1.00 0.00 H new ATOM 0 HB3 CYS A 36 0.886 3.858 30.562 1.00 0.00 H new ATOM 0 HG CYS A 36 3.448 2.231 30.031 1.00 0.00 H new ATOM 1357 N GLY A 37 -0.106 5.789 28.008 1.00 0.00 N ATOM 1358 CA GLY A 37 -0.861 7.074 28.012 1.00 0.00 C ATOM 1359 C GLY A 37 -2.172 6.903 27.244 1.00 0.00 C ATOM 1360 O GLY A 37 -3.233 7.260 27.716 1.00 0.00 O ATOM 0 H GLY A 37 0.801 5.818 27.541 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.066 7.383 29.037 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.261 7.861 27.556 1.00 0.00 H new ATOM 1364 N LEU A 38 -2.102 6.366 26.060 1.00 0.00 N ATOM 1365 CA LEU A 38 -3.332 6.174 25.248 1.00 0.00 C ATOM 1366 C LEU A 38 -4.268 5.167 25.922 1.00 0.00 C ATOM 1367 O LEU A 38 -5.452 5.400 26.064 1.00 0.00 O ATOM 1368 CB LEU A 38 -2.931 5.628 23.876 1.00 0.00 C ATOM 1369 CG LEU A 38 -2.191 6.709 23.078 1.00 0.00 C ATOM 1370 CD1 LEU A 38 -1.603 6.078 21.811 1.00 0.00 C ATOM 1371 CD2 LEU A 38 -3.152 7.851 22.700 1.00 0.00 C ATOM 0 H LEU A 38 -1.239 6.050 25.617 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.848 7.129 25.151 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.293 4.752 23.996 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.818 5.304 23.331 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.390 7.124 23.690 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.075 6.839 21.237 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.908 5.285 22.088 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.407 5.660 21.206 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.611 8.610 22.134 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.965 7.456 22.091 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.561 8.297 23.606 1.00 0.00 H new ATOM 1383 N PHE A 39 -3.751 4.031 26.301 1.00 0.00 N ATOM 1384 CA PHE A 39 -4.607 2.984 26.926 1.00 0.00 C ATOM 1385 C PHE A 39 -5.015 3.347 28.357 1.00 0.00 C ATOM 1386 O PHE A 39 -6.171 3.255 28.720 1.00 0.00 O ATOM 1387 CB PHE A 39 -3.837 1.665 26.953 1.00 0.00 C ATOM 1388 CG PHE A 39 -4.757 0.563 27.415 1.00 0.00 C ATOM 1389 CD1 PHE A 39 -4.996 0.383 28.781 1.00 0.00 C ATOM 1390 CD2 PHE A 39 -5.373 -0.274 26.478 1.00 0.00 C ATOM 1391 CE1 PHE A 39 -5.850 -0.637 29.212 1.00 0.00 C ATOM 1392 CE2 PHE A 39 -6.226 -1.296 26.908 1.00 0.00 C ATOM 1393 CZ PHE A 39 -6.465 -1.478 28.276 1.00 0.00 C ATOM 0 H PHE A 39 -2.767 3.782 26.204 1.00 0.00 H new ATOM 0 HA PHE A 39 -5.516 2.899 26.330 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -3.447 1.437 25.961 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -2.980 1.744 27.622 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -4.521 1.031 29.503 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -5.190 -0.131 25.423 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -6.035 -0.776 30.267 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -6.700 -1.944 26.186 1.00 0.00 H new ATOM 0 HZ PHE A 39 -7.123 -2.267 28.609 1.00 0.00 H new ATOM 1403 N LEU A 40 -4.079 3.712 29.188 1.00 0.00 N ATOM 1404 CA LEU A 40 -4.432 4.023 30.604 1.00 0.00 C ATOM 1405 C LEU A 40 -5.421 5.190 30.663 1.00 0.00 C ATOM 1406 O LEU A 40 -6.416 5.132 31.358 1.00 0.00 O ATOM 1407 CB LEU A 40 -3.160 4.370 31.387 1.00 0.00 C ATOM 1408 CG LEU A 40 -3.439 4.321 32.900 1.00 0.00 C ATOM 1409 CD1 LEU A 40 -3.496 2.865 33.396 1.00 0.00 C ATOM 1410 CD2 LEU A 40 -2.325 5.065 33.646 1.00 0.00 C ATOM 0 H LEU A 40 -3.091 3.808 28.952 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.903 3.148 31.052 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.365 3.669 31.133 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.810 5.363 31.106 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.401 4.795 33.092 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.694 2.853 34.468 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.292 2.334 32.874 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.542 2.376 33.198 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.520 5.032 34.718 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.367 4.590 33.437 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.295 6.103 33.314 1.00 0.00 H new ATOM 1422 N LYS A 41 -5.160 6.254 29.954 1.00 0.00 N ATOM 1423 CA LYS A 41 -6.095 7.415 29.993 1.00 0.00 C ATOM 1424 C LYS A 41 -7.478 6.970 29.500 1.00 0.00 C ATOM 1425 O LYS A 41 -8.493 7.312 30.072 1.00 0.00 O ATOM 1426 CB LYS A 41 -5.549 8.528 29.086 1.00 0.00 C ATOM 1427 CG LYS A 41 -6.466 9.763 29.105 1.00 0.00 C ATOM 1428 CD LYS A 41 -6.421 10.437 30.482 1.00 0.00 C ATOM 1429 CE LYS A 41 -6.950 11.869 30.374 1.00 0.00 C ATOM 1430 NZ LYS A 41 -6.040 12.674 29.511 1.00 0.00 N ATOM 0 H LYS A 41 -4.345 6.370 29.352 1.00 0.00 H new ATOM 0 HA LYS A 41 -6.183 7.789 31.013 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.549 8.810 29.414 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -5.457 8.156 28.066 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -6.152 10.469 28.336 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.489 9.469 28.870 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -7.021 9.870 31.194 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -5.399 10.444 30.861 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -7.956 11.865 29.955 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -7.019 12.318 31.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -6.088 13.674 29.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -5.065 12.330 29.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -6.332 12.581 28.517 1.00 0.00 H new ATOM 1444 N LEU A 42 -7.519 6.232 28.424 1.00 0.00 N ATOM 1445 CA LEU A 42 -8.829 5.783 27.865 1.00 0.00 C ATOM 1446 C LEU A 42 -9.503 4.744 28.767 1.00 0.00 C ATOM 1447 O LEU A 42 -10.709 4.739 28.917 1.00 0.00 O ATOM 1448 CB LEU A 42 -8.606 5.159 26.486 1.00 0.00 C ATOM 1449 CG LEU A 42 -8.190 6.231 25.471 1.00 0.00 C ATOM 1450 CD1 LEU A 42 -7.789 5.543 24.162 1.00 0.00 C ATOM 1451 CD2 LEU A 42 -9.350 7.208 25.209 1.00 0.00 C ATOM 0 H LEU A 42 -6.699 5.919 27.905 1.00 0.00 H new ATOM 0 HA LEU A 42 -9.477 6.656 27.796 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -7.835 4.391 26.549 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -9.519 4.668 26.151 1.00 0.00 H new ATOM 0 HG LEU A 42 -7.349 6.797 25.871 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -7.491 6.295 23.432 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.955 4.867 24.347 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -8.636 4.977 23.774 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -9.035 7.961 24.486 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -10.205 6.660 24.813 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -9.632 7.696 26.142 1.00 0.00 H new ATOM 1463 N HIS A 43 -8.757 3.830 29.323 1.00 0.00 N ATOM 1464 CA HIS A 43 -9.386 2.765 30.160 1.00 0.00 C ATOM 1465 C HIS A 43 -9.579 3.237 31.608 1.00 0.00 C ATOM 1466 O HIS A 43 -10.588 2.947 32.220 1.00 0.00 O ATOM 1467 CB HIS A 43 -8.499 1.519 30.102 1.00 0.00 C ATOM 1468 CG HIS A 43 -8.554 0.957 28.706 1.00 0.00 C ATOM 1469 ND1 HIS A 43 -7.853 1.526 27.653 1.00 0.00 N ATOM 1470 CD2 HIS A 43 -9.237 -0.106 28.167 1.00 0.00 C ATOM 1471 CE1 HIS A 43 -8.130 0.812 26.547 1.00 0.00 C ATOM 1472 NE2 HIS A 43 -8.967 -0.195 26.804 1.00 0.00 N ATOM 0 H HIS A 43 -7.742 3.773 29.236 1.00 0.00 H new ATOM 0 HA HIS A 43 -10.376 2.531 29.770 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -7.473 1.772 30.368 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -8.841 0.777 30.823 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -7.239 2.339 27.707 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -9.885 -0.772 28.717 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -7.724 1.028 25.570 1.00 0.00 H new ATOM 1480 N GLY A 44 -8.655 3.971 32.167 1.00 0.00 N ATOM 1481 CA GLY A 44 -8.842 4.456 33.568 1.00 0.00 C ATOM 1482 C GLY A 44 -8.695 3.312 34.575 1.00 0.00 C ATOM 1483 O GLY A 44 -8.973 3.476 35.747 1.00 0.00 O ATOM 0 H GLY A 44 -7.784 4.255 31.719 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -8.110 5.233 33.787 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -9.828 4.909 33.670 1.00 0.00 H new ATOM 1487 N VAL A 45 -8.261 2.161 34.137 1.00 0.00 N ATOM 1488 CA VAL A 45 -8.088 1.003 35.068 1.00 0.00 C ATOM 1489 C VAL A 45 -6.717 0.381 34.809 1.00 0.00 C ATOM 1490 O VAL A 45 -6.045 0.718 33.853 1.00 0.00 O ATOM 1491 CB VAL A 45 -9.184 -0.040 34.821 1.00 0.00 C ATOM 1492 CG1 VAL A 45 -10.521 0.467 35.369 1.00 0.00 C ATOM 1493 CG2 VAL A 45 -9.319 -0.293 33.318 1.00 0.00 C ATOM 0 H VAL A 45 -8.016 1.970 33.166 1.00 0.00 H new ATOM 0 HA VAL A 45 -8.161 1.343 36.101 1.00 0.00 H new ATOM 0 HB VAL A 45 -8.914 -0.966 35.328 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -11.294 -0.280 35.190 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -10.431 0.646 36.440 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -10.791 1.396 34.868 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -10.098 -1.035 33.142 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -9.583 0.637 32.815 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -8.372 -0.662 32.925 1.00 0.00 H new ATOM 1503 N VAL A 46 -6.289 -0.517 35.648 1.00 0.00 N ATOM 1504 CA VAL A 46 -4.956 -1.147 35.440 1.00 0.00 C ATOM 1505 C VAL A 46 -4.884 -1.748 34.037 1.00 0.00 C ATOM 1506 O VAL A 46 -5.882 -2.160 33.480 1.00 0.00 O ATOM 1507 CB VAL A 46 -4.753 -2.260 36.467 1.00 0.00 C ATOM 1508 CG1 VAL A 46 -4.735 -1.660 37.873 1.00 0.00 C ATOM 1509 CG2 VAL A 46 -5.900 -3.268 36.353 1.00 0.00 C ATOM 0 H VAL A 46 -6.802 -0.842 36.467 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.181 -0.390 35.555 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.805 -2.764 36.278 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.590 -2.454 38.606 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.920 -0.941 37.951 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.682 -1.157 38.066 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -5.759 -4.064 37.084 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -6.848 -2.764 36.543 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -5.911 -3.695 35.350 1.00 0.00 H new ATOM 1519 N ARG A 47 -3.703 -1.825 33.477 1.00 0.00 N ATOM 1520 CA ARG A 47 -3.535 -2.427 32.120 1.00 0.00 C ATOM 1521 C ARG A 47 -2.543 -3.596 32.232 1.00 0.00 C ATOM 1522 O ARG A 47 -1.392 -3.385 32.557 1.00 0.00 O ATOM 1523 CB ARG A 47 -2.961 -1.374 31.157 1.00 0.00 C ATOM 1524 CG ARG A 47 -2.390 -2.061 29.900 1.00 0.00 C ATOM 1525 CD ARG A 47 -2.218 -1.060 28.738 1.00 0.00 C ATOM 1526 NE ARG A 47 -0.846 -1.180 28.144 1.00 0.00 N ATOM 1527 CZ ARG A 47 0.233 -1.056 28.871 1.00 0.00 C ATOM 1528 NH1 ARG A 47 0.142 -0.740 30.134 1.00 0.00 N ATOM 1529 NH2 ARG A 47 1.407 -1.226 28.327 1.00 0.00 N ATOM 0 H ARG A 47 -2.840 -1.493 33.907 1.00 0.00 H new ATOM 0 HA ARG A 47 -4.497 -2.774 31.743 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -3.740 -0.667 30.872 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -2.178 -0.802 31.656 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -1.427 -2.514 30.137 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -3.055 -2.868 29.591 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -2.971 -1.249 27.972 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -2.378 -0.044 29.098 1.00 0.00 H new ATOM 0 HE ARG A 47 -0.752 -1.363 27.145 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -0.774 -0.589 30.557 1.00 0.00 H new ATOM 0 HH12 ARG A 47 0.987 -0.644 30.698 1.00 0.00 H new ATOM 0 HH21 ARG A 47 1.481 -1.455 27.336 1.00 0.00 H new ATOM 0 HH22 ARG A 47 2.250 -1.130 28.893 1.00 0.00 H new ATOM 1543 N PRO A 48 -2.945 -4.811 31.943 1.00 0.00 N ATOM 1544 CA PRO A 48 -2.013 -5.971 32.001 1.00 0.00 C ATOM 1545 C PRO A 48 -0.651 -5.613 31.397 1.00 0.00 C ATOM 1546 O PRO A 48 -0.422 -5.758 30.212 1.00 0.00 O ATOM 1547 CB PRO A 48 -2.734 -7.033 31.171 1.00 0.00 C ATOM 1548 CG PRO A 48 -4.183 -6.755 31.401 1.00 0.00 C ATOM 1549 CD PRO A 48 -4.302 -5.233 31.545 1.00 0.00 C ATOM 0 HA PRO A 48 -1.796 -6.302 33.017 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -2.476 -6.956 30.115 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -2.466 -8.040 31.492 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -4.787 -7.117 30.569 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -4.540 -7.261 32.298 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -4.608 -4.765 30.609 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -5.043 -4.959 32.296 1.00 0.00 H new ATOM 1557 N LEU A 49 0.248 -5.128 32.209 1.00 0.00 N ATOM 1558 CA LEU A 49 1.591 -4.733 31.701 1.00 0.00 C ATOM 1559 C LEU A 49 2.234 -5.928 30.993 1.00 0.00 C ATOM 1560 O LEU A 49 3.177 -5.786 30.240 1.00 0.00 O ATOM 1561 CB LEU A 49 2.454 -4.279 32.881 1.00 0.00 C ATOM 1562 CG LEU A 49 1.735 -3.149 33.630 1.00 0.00 C ATOM 1563 CD1 LEU A 49 2.576 -2.724 34.837 1.00 0.00 C ATOM 1564 CD2 LEU A 49 1.523 -1.943 32.698 1.00 0.00 C ATOM 0 H LEU A 49 0.108 -4.988 33.210 1.00 0.00 H new ATOM 0 HA LEU A 49 1.501 -3.912 30.990 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.640 -5.116 33.554 1.00 0.00 H new ATOM 0 HB3 LEU A 49 3.425 -3.935 32.525 1.00 0.00 H new ATOM 0 HG LEU A 49 0.763 -3.508 33.968 1.00 0.00 H new ATOM 0 HD11 LEU A 49 2.067 -1.921 35.371 1.00 0.00 H new ATOM 0 HD12 LEU A 49 2.711 -3.575 35.505 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.550 -2.373 34.496 1.00 0.00 H new ATOM 0 HD21 LEU A 49 1.012 -1.148 33.242 1.00 0.00 H new ATOM 0 HD22 LEU A 49 2.489 -1.580 32.348 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.918 -2.245 31.844 1.00 0.00 H new ATOM 1576 N SER A 50 1.722 -7.104 31.226 1.00 0.00 N ATOM 1577 CA SER A 50 2.292 -8.310 30.565 1.00 0.00 C ATOM 1578 C SER A 50 2.169 -8.163 29.047 1.00 0.00 C ATOM 1579 O SER A 50 2.738 -8.930 28.294 1.00 0.00 O ATOM 1580 CB SER A 50 1.527 -9.552 31.018 1.00 0.00 C ATOM 1581 OG SER A 50 1.749 -9.758 32.406 1.00 0.00 O ATOM 0 H SER A 50 0.932 -7.282 31.847 1.00 0.00 H new ATOM 0 HA SER A 50 3.342 -8.411 30.839 1.00 0.00 H new ATOM 0 HB2 SER A 50 0.462 -9.429 30.822 1.00 0.00 H new ATOM 0 HB3 SER A 50 1.856 -10.423 30.452 1.00 0.00 H new ATOM 0 HG SER A 50 1.258 -10.553 32.701 1.00 0.00 H new ATOM 1587 N LEU A 51 1.443 -7.179 28.587 1.00 0.00 N ATOM 1588 CA LEU A 51 1.302 -6.985 27.114 1.00 0.00 C ATOM 1589 C LEU A 51 2.558 -6.289 26.594 1.00 0.00 C ATOM 1590 O LEU A 51 2.998 -6.519 25.485 1.00 0.00 O ATOM 1591 CB LEU A 51 0.095 -6.089 26.820 1.00 0.00 C ATOM 1592 CG LEU A 51 -1.184 -6.709 27.397 1.00 0.00 C ATOM 1593 CD1 LEU A 51 -2.245 -5.616 27.541 1.00 0.00 C ATOM 1594 CD2 LEU A 51 -1.717 -7.803 26.463 1.00 0.00 C ATOM 0 H LEU A 51 0.943 -6.503 29.165 1.00 0.00 H new ATOM 0 HA LEU A 51 1.165 -7.953 26.631 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.254 -5.101 27.251 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.012 -5.954 25.744 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.958 -7.151 28.368 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -3.158 -6.047 27.951 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.878 -4.839 28.212 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.455 -5.182 26.563 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.625 -8.233 26.887 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.941 -7.371 25.488 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.964 -8.583 26.350 1.00 0.00 H new ATOM 1606 N LYS A 52 3.131 -5.426 27.388 1.00 0.00 N ATOM 1607 CA LYS A 52 4.355 -4.693 26.952 1.00 0.00 C ATOM 1608 C LYS A 52 5.375 -5.666 26.361 1.00 0.00 C ATOM 1609 O LYS A 52 5.415 -6.832 26.700 1.00 0.00 O ATOM 1610 CB LYS A 52 4.970 -3.976 28.160 1.00 0.00 C ATOM 1611 CG LYS A 52 6.230 -3.179 27.746 1.00 0.00 C ATOM 1612 CD LYS A 52 7.510 -3.962 28.076 1.00 0.00 C ATOM 1613 CE LYS A 52 8.729 -3.069 27.832 1.00 0.00 C ATOM 1614 NZ LYS A 52 9.966 -3.786 28.255 1.00 0.00 N ATOM 0 H LYS A 52 2.802 -5.196 28.326 1.00 0.00 H new ATOM 0 HA LYS A 52 4.082 -3.965 26.188 1.00 0.00 H new ATOM 0 HB2 LYS A 52 4.236 -3.301 28.600 1.00 0.00 H new ATOM 0 HB3 LYS A 52 5.232 -4.705 28.927 1.00 0.00 H new ATOM 0 HG2 LYS A 52 6.195 -2.966 26.678 1.00 0.00 H new ATOM 0 HG3 LYS A 52 6.243 -2.219 28.262 1.00 0.00 H new ATOM 0 HD2 LYS A 52 7.490 -4.293 29.114 1.00 0.00 H new ATOM 0 HD3 LYS A 52 7.572 -4.857 27.457 1.00 0.00 H new ATOM 0 HE2 LYS A 52 8.793 -2.804 26.777 1.00 0.00 H new ATOM 0 HE3 LYS A 52 8.628 -2.138 28.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 10.570 -3.142 28.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 9.709 -4.605 28.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 10.483 -4.112 27.414 1.00 0.00 H new ATOM 1628 N THR A 53 6.214 -5.176 25.491 1.00 0.00 N ATOM 1629 CA THR A 53 7.264 -6.033 24.874 1.00 0.00 C ATOM 1630 C THR A 53 8.446 -5.144 24.483 1.00 0.00 C ATOM 1631 O THR A 53 8.370 -3.934 24.569 1.00 0.00 O ATOM 1632 CB THR A 53 6.699 -6.721 23.631 1.00 0.00 C ATOM 1633 OG1 THR A 53 7.768 -7.173 22.815 1.00 0.00 O ATOM 1634 CG2 THR A 53 5.829 -5.733 22.851 1.00 0.00 C ATOM 0 H THR A 53 6.216 -4.205 25.178 1.00 0.00 H new ATOM 0 HA THR A 53 7.590 -6.796 25.581 1.00 0.00 H new ATOM 0 HB THR A 53 6.090 -7.574 23.930 1.00 0.00 H new ATOM 0 HG1 THR A 53 7.511 -8.009 22.373 1.00 0.00 H new ATOM 0 HG21 THR A 53 5.426 -6.224 21.965 1.00 0.00 H new ATOM 0 HG22 THR A 53 5.008 -5.394 23.483 1.00 0.00 H new ATOM 0 HG23 THR A 53 6.432 -4.877 22.549 1.00 0.00 H new ATOM 1642 N ASP A 54 9.535 -5.717 24.049 1.00 0.00 N ATOM 1643 CA ASP A 54 10.709 -4.883 23.653 1.00 0.00 C ATOM 1644 C ASP A 54 10.633 -4.590 22.152 1.00 0.00 C ATOM 1645 O ASP A 54 11.481 -3.913 21.602 1.00 0.00 O ATOM 1646 CB ASP A 54 12.006 -5.638 23.953 1.00 0.00 C ATOM 1647 CG ASP A 54 12.213 -5.728 25.466 1.00 0.00 C ATOM 1648 OD1 ASP A 54 11.713 -4.862 26.166 1.00 0.00 O ATOM 1649 OD2 ASP A 54 12.872 -6.658 25.900 1.00 0.00 O ATOM 0 H ASP A 54 9.664 -6.724 23.951 1.00 0.00 H new ATOM 0 HA ASP A 54 10.696 -3.950 24.216 1.00 0.00 H new ATOM 0 HB2 ASP A 54 11.964 -6.638 23.522 1.00 0.00 H new ATOM 0 HB3 ASP A 54 12.851 -5.127 23.491 1.00 0.00 H new ATOM 1654 N VAL A 55 9.615 -5.084 21.490 1.00 0.00 N ATOM 1655 CA VAL A 55 9.452 -4.836 20.023 1.00 0.00 C ATOM 1656 C VAL A 55 8.115 -4.128 19.791 1.00 0.00 C ATOM 1657 O VAL A 55 7.111 -4.472 20.383 1.00 0.00 O ATOM 1658 CB VAL A 55 9.473 -6.170 19.263 1.00 0.00 C ATOM 1659 CG1 VAL A 55 8.164 -6.939 19.486 1.00 0.00 C ATOM 1660 CG2 VAL A 55 9.653 -5.895 17.768 1.00 0.00 C ATOM 0 H VAL A 55 8.881 -5.655 21.909 1.00 0.00 H new ATOM 0 HA VAL A 55 10.270 -4.213 19.660 1.00 0.00 H new ATOM 0 HB VAL A 55 10.300 -6.774 19.635 1.00 0.00 H new ATOM 0 HG11 VAL A 55 8.198 -7.881 18.939 1.00 0.00 H new ATOM 0 HG12 VAL A 55 8.037 -7.141 20.550 1.00 0.00 H new ATOM 0 HG13 VAL A 55 7.326 -6.342 19.128 1.00 0.00 H new ATOM 0 HG21 VAL A 55 9.669 -6.839 17.224 1.00 0.00 H new ATOM 0 HG22 VAL A 55 8.826 -5.283 17.409 1.00 0.00 H new ATOM 0 HG23 VAL A 55 10.593 -5.367 17.606 1.00 0.00 H new ATOM 1670 N ILE A 56 8.094 -3.149 18.926 1.00 0.00 N ATOM 1671 CA ILE A 56 6.826 -2.414 18.637 1.00 0.00 C ATOM 1672 C ILE A 56 6.239 -2.903 17.314 1.00 0.00 C ATOM 1673 O ILE A 56 6.953 -3.287 16.410 1.00 0.00 O ATOM 1674 CB ILE A 56 7.109 -0.916 18.527 1.00 0.00 C ATOM 1675 CG1 ILE A 56 7.687 -0.407 19.849 1.00 0.00 C ATOM 1676 CG2 ILE A 56 5.802 -0.181 18.221 1.00 0.00 C ATOM 1677 CD1 ILE A 56 8.201 1.022 19.667 1.00 0.00 C ATOM 0 H ILE A 56 8.907 -2.824 18.403 1.00 0.00 H new ATOM 0 HA ILE A 56 6.119 -2.597 19.447 1.00 0.00 H new ATOM 0 HB ILE A 56 7.827 -0.734 17.728 1.00 0.00 H new ATOM 0 HG12 ILE A 56 6.923 -0.433 20.626 1.00 0.00 H new ATOM 0 HG13 ILE A 56 8.498 -1.057 20.177 1.00 0.00 H new ATOM 0 HG21 ILE A 56 5.996 0.889 18.141 1.00 0.00 H new ATOM 0 HG22 ILE A 56 5.391 -0.546 17.280 1.00 0.00 H new ATOM 0 HG23 ILE A 56 5.087 -0.361 19.024 1.00 0.00 H new ATOM 0 HD11 ILE A 56 8.612 1.383 20.609 1.00 0.00 H new ATOM 0 HD12 ILE A 56 8.978 1.035 18.903 1.00 0.00 H new ATOM 0 HD13 ILE A 56 7.379 1.668 19.359 1.00 0.00 H new ATOM 1689 N LYS A 57 4.942 -2.878 17.190 1.00 0.00 N ATOM 1690 CA LYS A 57 4.306 -3.325 15.921 1.00 0.00 C ATOM 1691 C LYS A 57 4.349 -2.161 14.930 1.00 0.00 C ATOM 1692 O LYS A 57 3.755 -1.125 15.149 1.00 0.00 O ATOM 1693 CB LYS A 57 2.853 -3.718 16.204 1.00 0.00 C ATOM 1694 CG LYS A 57 2.193 -4.230 14.924 1.00 0.00 C ATOM 1695 CD LYS A 57 0.747 -4.622 15.226 1.00 0.00 C ATOM 1696 CE LYS A 57 0.158 -5.365 14.027 1.00 0.00 C ATOM 1697 NZ LYS A 57 0.822 -6.693 13.896 1.00 0.00 N ATOM 0 H LYS A 57 4.294 -2.567 17.914 1.00 0.00 H new ATOM 0 HA LYS A 57 4.832 -4.184 15.505 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.819 -4.489 16.974 1.00 0.00 H new ATOM 0 HB3 LYS A 57 2.303 -2.859 16.588 1.00 0.00 H new ATOM 0 HG2 LYS A 57 2.220 -3.460 14.153 1.00 0.00 H new ATOM 0 HG3 LYS A 57 2.742 -5.088 14.536 1.00 0.00 H new ATOM 0 HD2 LYS A 57 0.708 -5.254 16.113 1.00 0.00 H new ATOM 0 HD3 LYS A 57 0.156 -3.732 15.442 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -0.917 -5.494 14.157 1.00 0.00 H new ATOM 0 HE3 LYS A 57 0.302 -4.782 13.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 0.106 -7.445 13.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 1.319 -6.744 12.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 1.506 -6.817 14.670 1.00 0.00 H new ATOM 1711 N LYS A 58 5.060 -2.315 13.845 1.00 0.00 N ATOM 1712 CA LYS A 58 5.148 -1.205 12.852 1.00 0.00 C ATOM 1713 C LYS A 58 3.954 -1.257 11.901 1.00 0.00 C ATOM 1714 O LYS A 58 3.751 -2.227 11.198 1.00 0.00 O ATOM 1715 CB LYS A 58 6.436 -1.345 12.038 1.00 0.00 C ATOM 1716 CG LYS A 58 7.648 -1.036 12.925 1.00 0.00 C ATOM 1717 CD LYS A 58 8.959 -1.195 12.125 1.00 0.00 C ATOM 1718 CE LYS A 58 9.398 0.147 11.518 1.00 0.00 C ATOM 1719 NZ LYS A 58 8.230 0.848 10.916 1.00 0.00 N ATOM 0 H LYS A 58 5.582 -3.158 13.604 1.00 0.00 H new ATOM 0 HA LYS A 58 5.147 -0.255 13.386 1.00 0.00 H new ATOM 0 HB2 LYS A 58 6.516 -2.355 11.637 1.00 0.00 H new ATOM 0 HB3 LYS A 58 6.414 -0.665 11.186 1.00 0.00 H new ATOM 0 HG2 LYS A 58 7.573 -0.020 13.313 1.00 0.00 H new ATOM 0 HG3 LYS A 58 7.657 -1.705 13.785 1.00 0.00 H new ATOM 0 HD2 LYS A 58 9.744 -1.577 12.778 1.00 0.00 H new ATOM 0 HD3 LYS A 58 8.819 -1.929 11.331 1.00 0.00 H new ATOM 0 HE2 LYS A 58 9.849 0.772 12.289 1.00 0.00 H new ATOM 0 HE3 LYS A 58 10.161 -0.022 10.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 8.553 1.712 10.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 7.766 0.222 10.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 7.553 1.101 11.664 1.00 0.00 H new ATOM 1733 N ARG A 59 3.160 -0.220 11.874 1.00 0.00 N ATOM 1734 CA ARG A 59 1.973 -0.199 10.973 1.00 0.00 C ATOM 1735 C ARG A 59 2.331 0.554 9.691 1.00 0.00 C ATOM 1736 O ARG A 59 3.413 1.091 9.553 1.00 0.00 O ATOM 1737 CB ARG A 59 0.822 0.523 11.675 1.00 0.00 C ATOM 1738 CG ARG A 59 0.301 -0.335 12.830 1.00 0.00 C ATOM 1739 CD ARG A 59 -0.843 0.401 13.528 1.00 0.00 C ATOM 1740 NE ARG A 59 -1.894 0.734 12.525 1.00 0.00 N ATOM 1741 CZ ARG A 59 -3.073 1.130 12.919 1.00 0.00 C ATOM 1742 NH1 ARG A 59 -3.328 1.259 14.192 1.00 0.00 N ATOM 1743 NH2 ARG A 59 -3.996 1.405 12.037 1.00 0.00 N ATOM 0 H ARG A 59 3.284 0.618 12.441 1.00 0.00 H new ATOM 0 HA ARG A 59 1.675 -1.219 10.731 1.00 0.00 H new ATOM 0 HB2 ARG A 59 1.161 1.488 12.051 1.00 0.00 H new ATOM 0 HB3 ARG A 59 0.018 0.722 10.966 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -0.045 -1.298 12.456 1.00 0.00 H new ATOM 0 HG3 ARG A 59 1.104 -0.539 13.538 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -1.262 -0.220 14.319 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -0.472 1.311 14.000 1.00 0.00 H new ATOM 0 HE ARG A 59 -1.691 0.652 11.529 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -2.605 1.050 14.881 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -4.250 1.569 14.499 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -3.795 1.310 11.042 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -4.918 1.715 12.344 1.00 0.00 H new ATOM 1757 N ASN A 60 1.437 0.576 8.746 1.00 0.00 N ATOM 1758 CA ASN A 60 1.716 1.265 7.456 1.00 0.00 C ATOM 1759 C ASN A 60 1.449 2.763 7.601 1.00 0.00 C ATOM 1760 O ASN A 60 1.349 3.286 8.693 1.00 0.00 O ATOM 1761 CB ASN A 60 0.796 0.692 6.378 1.00 0.00 C ATOM 1762 CG ASN A 60 -0.658 0.901 6.803 1.00 0.00 C ATOM 1763 OD1 ASN A 60 -0.920 1.403 7.878 1.00 0.00 O ATOM 1764 ND2 ASN A 60 -1.620 0.536 6.003 1.00 0.00 N ATOM 0 H ASN A 60 0.516 0.142 8.812 1.00 0.00 H new ATOM 0 HA ASN A 60 2.759 1.111 7.179 1.00 0.00 H new ATOM 0 HB2 ASN A 60 0.984 1.183 5.423 1.00 0.00 H new ATOM 0 HB3 ASN A 60 0.998 -0.370 6.236 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -2.592 0.672 6.279 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -1.400 0.115 5.100 1.00 0.00 H new