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 163:sc= 0.963 USER MOD Set 1.2: A 15 CYS SG : rot -57:sc= 0.701 USER MOD Set 1.3: A 17 THR OG1 : rot 96:sc= -0.509! USER MOD Set 1.4: A 33 CYS SG : rot -133:sc= 1.18 USER MOD Set 1.5: A 36 CYS SG : rot 146:sc= -0.346 USER MOD Set 2.1: A 20 THR OG1 : rot -131:sc= 0.323 USER MOD Set 2.2: A 34 ASN : amide:sc= -10.6! K(o=-10!,f=-2.2) USER MOD Set 3.1: A 13 THR OG1 : rot -73:sc= 0.0398 USER MOD Set 3.2: A 14 ASN : amide:sc= -7.47! C(o=-7.4!,f=-5.2!) USER MOD Single : A 11 THR OG1 : rot 30:sc= 0.0108 USER MOD Single : A 18 GLN : amide:sc= -6.65! C(o=-6.6!,f=-5!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -1.5 K(o=-1.5,f=-4.1!) USER MOD Single : A 30 GLN : amide:sc= -0.79 K(o=-0.79,f=-0.2) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HE2:sc= -4.42! C(o=-4.4!,f=-5.1!) USER MOD Single : A 50 SER OG : rot -18:sc= 0.567 USER MOD Single : A 52 LYS NZ :NH3+ -175:sc= -3.3 (180deg=-3.44) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.321 USER MOD Single : A 57 LYS NZ :NH3+ 158:sc= -0.0607 (180deg=-0.577) USER MOD Single : A 58 LYS NZ :NH3+ 157:sc= -0.107 (180deg=-0.663) USER MOD Single : A 60 ASN : amide:sc= -0.274 X(o=-0.27,f=0) USER MOD ----------------------------------------------------------------- ATOM 970 N THR A 11 12.072 6.494 30.989 1.00 0.00 N ATOM 971 CA THR A 11 11.535 5.197 31.517 1.00 0.00 C ATOM 972 C THR A 11 10.024 5.326 31.757 1.00 0.00 C ATOM 973 O THR A 11 9.561 6.284 32.343 1.00 0.00 O ATOM 974 CB THR A 11 12.236 4.856 32.840 1.00 0.00 C ATOM 975 OG1 THR A 11 13.595 4.530 32.581 1.00 0.00 O ATOM 976 CG2 THR A 11 11.551 3.663 33.513 1.00 0.00 C ATOM 0 HA THR A 11 11.720 4.405 30.791 1.00 0.00 H new ATOM 0 HB THR A 11 12.179 5.719 33.503 1.00 0.00 H new ATOM 0 HG1 THR A 11 13.906 5.026 31.795 1.00 0.00 H new ATOM 0 HG21 THR A 11 12.059 3.433 34.450 1.00 0.00 H new ATOM 0 HG22 THR A 11 10.509 3.909 33.716 1.00 0.00 H new ATOM 0 HG23 THR A 11 11.597 2.797 32.853 1.00 0.00 H new ATOM 984 N CYS A 12 9.256 4.358 31.323 1.00 0.00 N ATOM 985 CA CYS A 12 7.780 4.420 31.550 1.00 0.00 C ATOM 986 C CYS A 12 7.487 3.926 32.967 1.00 0.00 C ATOM 987 O CYS A 12 7.659 2.765 33.281 1.00 0.00 O ATOM 988 CB CYS A 12 7.041 3.547 30.533 1.00 0.00 C ATOM 989 SG CYS A 12 5.272 3.933 30.600 1.00 0.00 S ATOM 0 H CYS A 12 9.585 3.532 30.824 1.00 0.00 H new ATOM 0 HA CYS A 12 7.436 5.447 31.429 1.00 0.00 H new ATOM 0 HB2 CYS A 12 7.428 3.727 29.530 1.00 0.00 H new ATOM 0 HB3 CYS A 12 7.205 2.492 30.753 1.00 0.00 H new ATOM 0 HG CYS A 12 4.690 3.488 29.526 1.00 0.00 H new ATOM 994 N THR A 13 7.058 4.807 33.826 1.00 0.00 N ATOM 995 CA THR A 13 6.775 4.415 35.234 1.00 0.00 C ATOM 996 C THR A 13 5.609 3.427 35.304 1.00 0.00 C ATOM 997 O THR A 13 5.352 2.851 36.343 1.00 0.00 O ATOM 998 CB THR A 13 6.427 5.659 36.052 1.00 0.00 C ATOM 999 OG1 THR A 13 5.219 6.226 35.563 1.00 0.00 O ATOM 1000 CG2 THR A 13 7.556 6.683 35.933 1.00 0.00 C ATOM 0 H THR A 13 6.890 5.790 33.611 1.00 0.00 H new ATOM 0 HA THR A 13 7.665 3.935 35.640 1.00 0.00 H new ATOM 0 HB THR A 13 6.300 5.380 37.098 1.00 0.00 H new ATOM 0 HG1 THR A 13 5.388 6.663 34.702 1.00 0.00 H new ATOM 0 HG21 THR A 13 7.306 7.569 36.517 1.00 0.00 H new ATOM 0 HG22 THR A 13 8.482 6.249 36.310 1.00 0.00 H new ATOM 0 HG23 THR A 13 7.686 6.962 34.887 1.00 0.00 H new ATOM 1008 N ASN A 14 4.891 3.227 34.228 1.00 0.00 N ATOM 1009 CA ASN A 14 3.737 2.277 34.267 1.00 0.00 C ATOM 1010 C ASN A 14 4.123 0.926 33.659 1.00 0.00 C ATOM 1011 O ASN A 14 3.606 -0.095 34.065 1.00 0.00 O ATOM 1012 CB ASN A 14 2.564 2.866 33.481 1.00 0.00 C ATOM 1013 CG ASN A 14 1.986 4.058 34.246 1.00 0.00 C ATOM 1014 OD1 ASN A 14 0.968 4.601 33.867 1.00 0.00 O ATOM 1015 ND2 ASN A 14 2.604 4.498 35.308 1.00 0.00 N ATOM 0 H ASN A 14 5.053 3.678 33.328 1.00 0.00 H new ATOM 0 HA ASN A 14 3.451 2.124 35.308 1.00 0.00 H new ATOM 0 HB2 ASN A 14 2.897 3.181 32.492 1.00 0.00 H new ATOM 0 HB3 ASN A 14 1.795 2.108 33.332 1.00 0.00 H new ATOM 0 HD21 ASN A 14 2.232 5.298 35.820 1.00 0.00 H new ATOM 0 HD22 ASN A 14 3.459 4.042 35.626 1.00 0.00 H new ATOM 1022 N CYS A 15 5.000 0.892 32.680 1.00 0.00 N ATOM 1023 CA CYS A 15 5.366 -0.424 32.056 1.00 0.00 C ATOM 1024 C CYS A 15 6.871 -0.508 31.765 1.00 0.00 C ATOM 1025 O CYS A 15 7.322 -1.417 31.099 1.00 0.00 O ATOM 1026 CB CYS A 15 4.563 -0.614 30.763 1.00 0.00 C ATOM 1027 SG CYS A 15 5.269 0.377 29.423 1.00 0.00 S ATOM 0 H CYS A 15 5.473 1.707 32.290 1.00 0.00 H new ATOM 0 HA CYS A 15 5.123 -1.220 32.760 1.00 0.00 H new ATOM 0 HB2 CYS A 15 4.561 -1.667 30.481 1.00 0.00 H new ATOM 0 HB3 CYS A 15 3.525 -0.326 30.928 1.00 0.00 H new ATOM 0 HG CYS A 15 5.294 1.628 29.775 1.00 0.00 H new ATOM 1032 N PHE A 16 7.653 0.410 32.274 1.00 0.00 N ATOM 1033 CA PHE A 16 9.135 0.370 32.061 1.00 0.00 C ATOM 1034 C PHE A 16 9.504 0.407 30.578 1.00 0.00 C ATOM 1035 O PHE A 16 10.668 0.369 30.234 1.00 0.00 O ATOM 1036 CB PHE A 16 9.730 -0.896 32.682 1.00 0.00 C ATOM 1037 CG PHE A 16 9.446 -0.914 34.163 1.00 0.00 C ATOM 1038 CD1 PHE A 16 10.320 -0.276 35.050 1.00 0.00 C ATOM 1039 CD2 PHE A 16 8.309 -1.570 34.647 1.00 0.00 C ATOM 1040 CE1 PHE A 16 10.057 -0.294 36.424 1.00 0.00 C ATOM 1041 CE2 PHE A 16 8.046 -1.588 36.021 1.00 0.00 C ATOM 1042 CZ PHE A 16 8.920 -0.949 36.910 1.00 0.00 C ATOM 0 H PHE A 16 7.325 1.196 32.835 1.00 0.00 H new ATOM 0 HA PHE A 16 9.546 1.257 32.543 1.00 0.00 H new ATOM 0 HB2 PHE A 16 9.303 -1.780 32.209 1.00 0.00 H new ATOM 0 HB3 PHE A 16 10.805 -0.928 32.507 1.00 0.00 H new ATOM 0 HD1 PHE A 16 11.197 0.230 34.674 1.00 0.00 H new ATOM 0 HD2 PHE A 16 7.635 -2.062 33.961 1.00 0.00 H new ATOM 0 HE1 PHE A 16 10.731 0.198 37.109 1.00 0.00 H new ATOM 0 HE2 PHE A 16 7.169 -2.095 36.396 1.00 0.00 H new ATOM 0 HZ PHE A 16 8.716 -0.962 37.971 1.00 0.00 H new ATOM 1052 N THR A 17 8.556 0.469 29.688 1.00 0.00 N ATOM 1053 CA THR A 17 8.934 0.492 28.248 1.00 0.00 C ATOM 1054 C THR A 17 9.842 1.695 28.005 1.00 0.00 C ATOM 1055 O THR A 17 9.536 2.798 28.404 1.00 0.00 O ATOM 1056 CB THR A 17 7.675 0.614 27.386 1.00 0.00 C ATOM 1057 OG1 THR A 17 6.916 -0.581 27.495 1.00 0.00 O ATOM 1058 CG2 THR A 17 8.062 0.841 25.923 1.00 0.00 C ATOM 0 H THR A 17 7.556 0.504 29.887 1.00 0.00 H new ATOM 0 HA THR A 17 9.454 -0.429 27.984 1.00 0.00 H new ATOM 0 HB THR A 17 7.083 1.461 27.732 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.220 -0.465 28.175 1.00 0.00 H new ATOM 0 HG21 THR A 17 7.160 0.927 25.317 1.00 0.00 H new ATOM 0 HG22 THR A 17 8.644 1.759 25.839 1.00 0.00 H new ATOM 0 HG23 THR A 17 8.658 -0.000 25.570 1.00 0.00 H new ATOM 1066 N GLN A 18 10.963 1.481 27.367 1.00 0.00 N ATOM 1067 CA GLN A 18 11.920 2.595 27.093 1.00 0.00 C ATOM 1068 C GLN A 18 11.870 2.955 25.606 1.00 0.00 C ATOM 1069 O GLN A 18 12.495 3.902 25.170 1.00 0.00 O ATOM 1070 CB GLN A 18 13.335 2.149 27.471 1.00 0.00 C ATOM 1071 CG GLN A 18 13.597 0.739 26.929 1.00 0.00 C ATOM 1072 CD GLN A 18 12.899 -0.299 27.814 1.00 0.00 C ATOM 1073 OE1 GLN A 18 12.360 -1.268 27.319 1.00 0.00 O ATOM 1074 NE2 GLN A 18 12.888 -0.140 29.109 1.00 0.00 N ATOM 0 H GLN A 18 11.260 0.569 27.019 1.00 0.00 H new ATOM 0 HA GLN A 18 11.646 3.470 27.683 1.00 0.00 H new ATOM 0 HB2 GLN A 18 14.067 2.847 27.064 1.00 0.00 H new ATOM 0 HB3 GLN A 18 13.452 2.160 28.555 1.00 0.00 H new ATOM 0 HG2 GLN A 18 13.232 0.660 25.905 1.00 0.00 H new ATOM 0 HG3 GLN A 18 14.669 0.544 26.902 1.00 0.00 H new ATOM 0 HE21 GLN A 18 13.340 0.673 29.527 1.00 0.00 H new ATOM 0 HE22 GLN A 18 12.427 -0.829 29.704 1.00 0.00 H new ATOM 1083 N THR A 19 11.126 2.209 24.827 1.00 0.00 N ATOM 1084 CA THR A 19 11.016 2.498 23.362 1.00 0.00 C ATOM 1085 C THR A 19 9.579 2.918 23.047 1.00 0.00 C ATOM 1086 O THR A 19 8.635 2.247 23.412 1.00 0.00 O ATOM 1087 CB THR A 19 11.357 1.235 22.562 1.00 0.00 C ATOM 1088 OG1 THR A 19 12.622 0.739 22.978 1.00 0.00 O ATOM 1089 CG2 THR A 19 11.410 1.572 21.071 1.00 0.00 C ATOM 0 H THR A 19 10.585 1.405 25.146 1.00 0.00 H new ATOM 0 HA THR A 19 11.708 3.296 23.092 1.00 0.00 H new ATOM 0 HB THR A 19 10.592 0.478 22.737 1.00 0.00 H new ATOM 0 HG1 THR A 19 12.840 -0.069 22.469 1.00 0.00 H new ATOM 0 HG21 THR A 19 11.652 0.674 20.503 1.00 0.00 H new ATOM 0 HG22 THR A 19 10.441 1.954 20.750 1.00 0.00 H new ATOM 0 HG23 THR A 19 12.174 2.329 20.896 1.00 0.00 H new ATOM 1097 N THR A 20 9.403 4.027 22.380 1.00 0.00 N ATOM 1098 CA THR A 20 8.023 4.485 22.056 1.00 0.00 C ATOM 1099 C THR A 20 8.073 5.561 20.967 1.00 0.00 C ATOM 1100 O THR A 20 9.032 6.301 20.871 1.00 0.00 O ATOM 1101 CB THR A 20 7.388 5.078 23.317 1.00 0.00 C ATOM 1102 OG1 THR A 20 6.310 5.929 22.953 1.00 0.00 O ATOM 1103 CG2 THR A 20 8.434 5.882 24.091 1.00 0.00 C ATOM 0 H THR A 20 10.153 4.633 22.047 1.00 0.00 H new ATOM 0 HA THR A 20 7.435 3.640 21.699 1.00 0.00 H new ATOM 0 HB THR A 20 7.015 4.270 23.946 1.00 0.00 H new ATOM 0 HG1 THR A 20 6.398 6.786 23.419 1.00 0.00 H new ATOM 0 HG21 THR A 20 7.979 6.303 24.988 1.00 0.00 H new ATOM 0 HG22 THR A 20 9.259 5.228 24.375 1.00 0.00 H new ATOM 0 HG23 THR A 20 8.811 6.689 23.463 1.00 0.00 H new ATOM 1111 N PRO A 21 7.045 5.668 20.159 1.00 0.00 N ATOM 1112 CA PRO A 21 6.985 6.695 19.078 1.00 0.00 C ATOM 1113 C PRO A 21 6.830 8.101 19.661 1.00 0.00 C ATOM 1114 O PRO A 21 7.166 9.089 19.038 1.00 0.00 O ATOM 1115 CB PRO A 21 5.744 6.296 18.269 1.00 0.00 C ATOM 1116 CG PRO A 21 4.874 5.584 19.250 1.00 0.00 C ATOM 1117 CD PRO A 21 5.829 4.832 20.176 1.00 0.00 C ATOM 0 HA PRO A 21 7.892 6.726 18.475 1.00 0.00 H new ATOM 0 HB2 PRO A 21 5.242 7.170 17.854 1.00 0.00 H new ATOM 0 HB3 PRO A 21 6.007 5.652 17.430 1.00 0.00 H new ATOM 0 HG2 PRO A 21 4.258 6.287 19.810 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.195 4.897 18.745 1.00 0.00 H new ATOM 0 HD2 PRO A 21 5.421 4.735 21.182 1.00 0.00 H new ATOM 0 HD3 PRO A 21 6.029 3.823 19.815 1.00 0.00 H new ATOM 1125 N VAL A 22 6.313 8.193 20.857 1.00 0.00 N ATOM 1126 CA VAL A 22 6.124 9.527 21.488 1.00 0.00 C ATOM 1127 C VAL A 22 5.895 9.356 22.990 1.00 0.00 C ATOM 1128 O VAL A 22 5.313 8.389 23.440 1.00 0.00 O ATOM 1129 CB VAL A 22 4.915 10.223 20.858 1.00 0.00 C ATOM 1130 CG1 VAL A 22 3.650 9.413 21.146 1.00 0.00 C ATOM 1131 CG2 VAL A 22 4.768 11.625 21.451 1.00 0.00 C ATOM 0 H VAL A 22 6.014 7.399 21.423 1.00 0.00 H new ATOM 0 HA VAL A 22 7.015 10.134 21.327 1.00 0.00 H new ATOM 0 HB VAL A 22 5.061 10.297 19.780 1.00 0.00 H new ATOM 0 HG11 VAL A 22 2.790 9.910 20.697 1.00 0.00 H new ATOM 0 HG12 VAL A 22 3.754 8.414 20.723 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.504 9.338 22.223 1.00 0.00 H new ATOM 0 HG21 VAL A 22 3.907 12.121 21.003 1.00 0.00 H new ATOM 0 HG22 VAL A 22 4.624 11.551 22.529 1.00 0.00 H new ATOM 0 HG23 VAL A 22 5.668 12.204 21.245 1.00 0.00 H new ATOM 1141 N TRP A 23 6.369 10.293 23.769 1.00 0.00 N ATOM 1142 CA TRP A 23 6.208 10.207 25.252 1.00 0.00 C ATOM 1143 C TRP A 23 4.991 11.024 25.698 1.00 0.00 C ATOM 1144 O TRP A 23 4.801 12.153 25.290 1.00 0.00 O ATOM 1145 CB TRP A 23 7.480 10.735 25.921 1.00 0.00 C ATOM 1146 CG TRP A 23 8.566 9.718 25.756 1.00 0.00 C ATOM 1147 CD1 TRP A 23 9.598 9.807 24.887 1.00 0.00 C ATOM 1148 CD2 TRP A 23 8.728 8.453 26.458 1.00 0.00 C ATOM 1149 NE1 TRP A 23 10.386 8.677 25.014 1.00 0.00 N ATOM 1150 CE2 TRP A 23 9.891 7.813 25.969 1.00 0.00 C ATOM 1151 CE3 TRP A 23 7.986 7.808 27.462 1.00 0.00 C ATOM 1152 CZ2 TRP A 23 10.303 6.574 26.462 1.00 0.00 C ATOM 1153 CZ3 TRP A 23 8.397 6.562 27.959 1.00 0.00 C ATOM 1154 CH2 TRP A 23 9.553 5.948 27.459 1.00 0.00 C ATOM 0 H TRP A 23 6.865 11.121 23.439 1.00 0.00 H new ATOM 0 HA TRP A 23 6.048 9.169 25.545 1.00 0.00 H new ATOM 0 HB2 TRP A 23 7.778 11.682 25.472 1.00 0.00 H new ATOM 0 HB3 TRP A 23 7.299 10.927 26.979 1.00 0.00 H new ATOM 0 HD1 TRP A 23 9.778 10.626 24.206 1.00 0.00 H new ATOM 0 HE1 TRP A 23 11.230 8.504 24.468 1.00 0.00 H new ATOM 0 HE3 TRP A 23 7.094 8.274 27.853 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 11.195 6.103 26.075 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 7.820 6.074 28.730 1.00 0.00 H new ATOM 0 HH2 TRP A 23 9.864 4.989 27.846 1.00 0.00 H new ATOM 1165 N ARG A 24 4.162 10.449 26.531 1.00 0.00 N ATOM 1166 CA ARG A 24 2.940 11.161 27.016 1.00 0.00 C ATOM 1167 C ARG A 24 3.187 11.711 28.423 1.00 0.00 C ATOM 1168 O ARG A 24 4.139 11.349 29.086 1.00 0.00 O ATOM 1169 CB ARG A 24 1.768 10.173 27.073 1.00 0.00 C ATOM 1170 CG ARG A 24 1.431 9.639 25.672 1.00 0.00 C ATOM 1171 CD ARG A 24 0.544 10.632 24.910 1.00 0.00 C ATOM 1172 NE ARG A 24 0.390 10.191 23.495 1.00 0.00 N ATOM 1173 CZ ARG A 24 -0.606 10.635 22.778 1.00 0.00 C ATOM 1174 NH1 ARG A 24 -1.517 11.395 23.322 1.00 0.00 N ATOM 1175 NH2 ARG A 24 -0.702 10.304 21.519 1.00 0.00 N ATOM 0 H ARG A 24 4.281 9.506 26.900 1.00 0.00 H new ATOM 0 HA ARG A 24 2.709 11.980 26.335 1.00 0.00 H new ATOM 0 HB2 ARG A 24 2.020 9.342 27.732 1.00 0.00 H new ATOM 0 HB3 ARG A 24 0.893 10.665 27.499 1.00 0.00 H new ATOM 0 HG2 ARG A 24 2.351 9.463 25.114 1.00 0.00 H new ATOM 0 HG3 ARG A 24 0.921 8.679 25.756 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -0.434 10.700 25.387 1.00 0.00 H new ATOM 0 HD3 ARG A 24 0.986 11.628 24.944 1.00 0.00 H new ATOM 0 HE ARG A 24 1.063 9.542 23.087 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -1.451 11.643 24.309 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -2.295 11.741 22.760 1.00 0.00 H new ATOM 0 HH21 ARG A 24 0.001 9.698 21.096 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -1.480 10.651 20.958 1.00 0.00 H new ATOM 1189 N ARG A 25 2.321 12.578 28.881 1.00 0.00 N ATOM 1190 CA ARG A 25 2.463 13.169 30.247 1.00 0.00 C ATOM 1191 C ARG A 25 1.118 13.055 30.967 1.00 0.00 C ATOM 1192 O ARG A 25 0.090 12.885 30.342 1.00 0.00 O ATOM 1193 CB ARG A 25 2.837 14.648 30.132 1.00 0.00 C ATOM 1194 CG ARG A 25 4.199 14.795 29.444 1.00 0.00 C ATOM 1195 CD ARG A 25 5.326 14.249 30.345 1.00 0.00 C ATOM 1196 NE ARG A 25 6.452 15.231 30.415 1.00 0.00 N ATOM 1197 CZ ARG A 25 6.954 15.772 29.338 1.00 0.00 C ATOM 1198 NH1 ARG A 25 6.508 15.437 28.161 1.00 0.00 N ATOM 1199 NH2 ARG A 25 7.920 16.643 29.441 1.00 0.00 N ATOM 0 H ARG A 25 1.509 12.907 28.359 1.00 0.00 H new ATOM 0 HA ARG A 25 3.240 12.640 30.799 1.00 0.00 H new ATOM 0 HB2 ARG A 25 2.074 15.181 29.564 1.00 0.00 H new ATOM 0 HB3 ARG A 25 2.871 15.101 31.123 1.00 0.00 H new ATOM 0 HG2 ARG A 25 4.193 14.258 28.495 1.00 0.00 H new ATOM 0 HG3 ARG A 25 4.385 15.844 29.215 1.00 0.00 H new ATOM 0 HD2 ARG A 25 4.940 14.055 31.346 1.00 0.00 H new ATOM 0 HD3 ARG A 25 5.687 13.298 29.953 1.00 0.00 H new ATOM 0 HE ARG A 25 6.837 15.484 31.325 1.00 0.00 H new ATOM 0 HH11 ARG A 25 5.761 14.747 28.076 1.00 0.00 H new ATOM 0 HH12 ARG A 25 6.905 15.864 27.324 1.00 0.00 H new ATOM 0 HH21 ARG A 25 8.280 16.899 30.360 1.00 0.00 H new ATOM 0 HH22 ARG A 25 8.315 17.068 28.602 1.00 0.00 H new ATOM 1213 N ASN A 26 1.114 13.124 32.275 1.00 0.00 N ATOM 1214 CA ASN A 26 -0.167 12.995 33.037 1.00 0.00 C ATOM 1215 C ASN A 26 -0.200 14.069 34.144 1.00 0.00 C ATOM 1216 O ASN A 26 0.831 14.408 34.682 1.00 0.00 O ATOM 1217 CB ASN A 26 -0.193 11.590 33.655 1.00 0.00 C ATOM 1218 CG ASN A 26 -1.628 11.182 33.984 1.00 0.00 C ATOM 1219 OD1 ASN A 26 -1.980 11.016 35.134 1.00 0.00 O ATOM 1220 ND2 ASN A 26 -2.479 11.019 33.008 1.00 0.00 N ATOM 0 H ASN A 26 1.945 13.264 32.850 1.00 0.00 H new ATOM 0 HA ASN A 26 -1.033 13.136 32.390 1.00 0.00 H new ATOM 0 HB2 ASN A 26 0.247 10.872 32.962 1.00 0.00 H new ATOM 0 HB3 ASN A 26 0.414 11.572 34.560 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -3.442 10.752 33.211 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -2.181 11.159 32.043 1.00 0.00 H new ATOM 1227 N PRO A 27 -1.355 14.618 34.479 1.00 0.00 N ATOM 1228 CA PRO A 27 -1.478 15.668 35.545 1.00 0.00 C ATOM 1229 C PRO A 27 -0.620 15.420 36.796 1.00 0.00 C ATOM 1230 O PRO A 27 -0.537 16.266 37.665 1.00 0.00 O ATOM 1231 CB PRO A 27 -2.961 15.614 35.908 1.00 0.00 C ATOM 1232 CG PRO A 27 -3.637 15.276 34.625 1.00 0.00 C ATOM 1233 CD PRO A 27 -2.682 14.332 33.883 1.00 0.00 C ATOM 0 HA PRO A 27 -1.123 16.631 35.178 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -3.157 14.862 36.672 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -3.310 16.568 36.303 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -4.599 14.796 34.805 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -3.833 16.174 34.038 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -2.965 13.289 34.022 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -2.687 14.523 32.810 1.00 0.00 H new ATOM 1241 N GLU A 28 0.036 14.295 36.894 1.00 0.00 N ATOM 1242 CA GLU A 28 0.903 14.024 38.083 1.00 0.00 C ATOM 1243 C GLU A 28 2.356 14.309 37.696 1.00 0.00 C ATOM 1244 O GLU A 28 3.212 14.516 38.534 1.00 0.00 O ATOM 1245 CB GLU A 28 0.758 12.559 38.509 1.00 0.00 C ATOM 1246 CG GLU A 28 0.620 11.671 37.271 1.00 0.00 C ATOM 1247 CD GLU A 28 0.550 10.205 37.697 1.00 0.00 C ATOM 1248 OE1 GLU A 28 0.799 9.932 38.859 1.00 0.00 O ATOM 1249 OE2 GLU A 28 0.250 9.377 36.851 1.00 0.00 O ATOM 0 H GLU A 28 0.010 13.548 36.200 1.00 0.00 H new ATOM 0 HA GLU A 28 0.605 14.661 38.916 1.00 0.00 H new ATOM 0 HB2 GLU A 28 1.626 12.253 39.093 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -0.115 12.442 39.151 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -0.278 11.942 36.715 1.00 0.00 H new ATOM 0 HG3 GLU A 28 1.468 11.826 36.603 1.00 0.00 H new ATOM 1256 N GLY A 29 2.629 14.318 36.420 1.00 0.00 N ATOM 1257 CA GLY A 29 4.013 14.586 35.935 1.00 0.00 C ATOM 1258 C GLY A 29 4.796 13.276 35.848 1.00 0.00 C ATOM 1259 O GLY A 29 6.006 13.273 35.728 1.00 0.00 O ATOM 0 H GLY A 29 1.944 14.149 35.684 1.00 0.00 H new ATOM 0 HA2 GLY A 29 3.979 15.065 34.956 1.00 0.00 H new ATOM 0 HA3 GLY A 29 4.517 15.277 36.611 1.00 0.00 H new ATOM 1263 N GLN A 30 4.118 12.162 35.884 1.00 0.00 N ATOM 1264 CA GLN A 30 4.826 10.855 35.778 1.00 0.00 C ATOM 1265 C GLN A 30 4.983 10.508 34.290 1.00 0.00 C ATOM 1266 O GLN A 30 3.992 10.353 33.608 1.00 0.00 O ATOM 1267 CB GLN A 30 3.983 9.771 36.454 1.00 0.00 C ATOM 1268 CG GLN A 30 3.876 10.065 37.951 1.00 0.00 C ATOM 1269 CD GLN A 30 5.242 9.864 38.613 1.00 0.00 C ATOM 1270 OE1 GLN A 30 5.679 10.689 39.391 1.00 0.00 O ATOM 1271 NE2 GLN A 30 5.939 8.797 38.336 1.00 0.00 N ATOM 0 H GLN A 30 3.105 12.100 35.982 1.00 0.00 H new ATOM 0 HA GLN A 30 5.802 10.915 36.260 1.00 0.00 H new ATOM 0 HB2 GLN A 30 2.989 9.738 36.008 1.00 0.00 H new ATOM 0 HB3 GLN A 30 4.436 8.792 36.297 1.00 0.00 H new ATOM 0 HG2 GLN A 30 3.532 11.087 38.107 1.00 0.00 H new ATOM 0 HG3 GLN A 30 3.138 9.407 38.409 1.00 0.00 H new ATOM 0 HE21 GLN A 30 5.573 8.104 37.683 1.00 0.00 H new ATOM 0 HE22 GLN A 30 6.850 8.656 38.772 1.00 0.00 H new ATOM 1280 N PRO A 31 6.180 10.377 33.763 1.00 0.00 N ATOM 1281 CA PRO A 31 6.351 10.027 32.321 1.00 0.00 C ATOM 1282 C PRO A 31 5.649 8.710 31.962 1.00 0.00 C ATOM 1283 O PRO A 31 5.674 7.754 32.712 1.00 0.00 O ATOM 1284 CB PRO A 31 7.872 9.889 32.136 1.00 0.00 C ATOM 1285 CG PRO A 31 8.486 10.630 33.282 1.00 0.00 C ATOM 1286 CD PRO A 31 7.482 10.559 34.435 1.00 0.00 C ATOM 0 HA PRO A 31 5.909 10.784 31.673 1.00 0.00 H new ATOM 0 HB2 PRO A 31 8.174 8.842 32.140 1.00 0.00 H new ATOM 0 HB3 PRO A 31 8.190 10.309 31.182 1.00 0.00 H new ATOM 0 HG2 PRO A 31 9.437 10.182 33.568 1.00 0.00 H new ATOM 0 HG3 PRO A 31 8.691 11.665 33.009 1.00 0.00 H new ATOM 0 HD2 PRO A 31 7.704 9.730 35.107 1.00 0.00 H new ATOM 0 HD3 PRO A 31 7.498 11.469 35.035 1.00 0.00 H new ATOM 1294 N LEU A 32 5.036 8.661 30.809 1.00 0.00 N ATOM 1295 CA LEU A 32 4.335 7.418 30.365 1.00 0.00 C ATOM 1296 C LEU A 32 4.626 7.181 28.887 1.00 0.00 C ATOM 1297 O LEU A 32 4.760 8.113 28.118 1.00 0.00 O ATOM 1298 CB LEU A 32 2.821 7.580 30.534 1.00 0.00 C ATOM 1299 CG LEU A 32 2.461 7.823 32.001 1.00 0.00 C ATOM 1300 CD1 LEU A 32 0.982 8.206 32.096 1.00 0.00 C ATOM 1301 CD2 LEU A 32 2.711 6.554 32.827 1.00 0.00 C ATOM 0 H LEU A 32 4.990 9.437 30.148 1.00 0.00 H new ATOM 0 HA LEU A 32 4.687 6.580 30.967 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.470 8.414 29.926 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.313 6.686 30.173 1.00 0.00 H new ATOM 0 HG LEU A 32 3.083 8.628 32.393 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.718 8.381 33.139 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.803 9.114 31.519 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.370 7.397 31.697 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.451 6.741 33.869 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.097 5.741 32.440 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.763 6.278 32.760 1.00 0.00 H new ATOM 1313 N CYS A 33 4.690 5.948 28.469 1.00 0.00 N ATOM 1314 CA CYS A 33 4.930 5.683 27.029 1.00 0.00 C ATOM 1315 C CYS A 33 3.635 5.996 26.283 1.00 0.00 C ATOM 1316 O CYS A 33 2.681 6.472 26.868 1.00 0.00 O ATOM 1317 CB CYS A 33 5.357 4.225 26.818 1.00 0.00 C ATOM 1318 SG CYS A 33 3.978 3.108 27.152 1.00 0.00 S ATOM 0 H CYS A 33 4.587 5.121 29.058 1.00 0.00 H new ATOM 0 HA CYS A 33 5.737 6.309 26.649 1.00 0.00 H new ATOM 0 HB2 CYS A 33 5.705 4.086 25.795 1.00 0.00 H new ATOM 0 HB3 CYS A 33 6.194 3.986 27.475 1.00 0.00 H new ATOM 0 HG CYS A 33 4.382 2.136 27.915 1.00 0.00 H new ATOM 1323 N ASN A 34 3.582 5.767 25.005 1.00 0.00 N ATOM 1324 CA ASN A 34 2.338 6.094 24.258 1.00 0.00 C ATOM 1325 C ASN A 34 1.193 5.143 24.629 1.00 0.00 C ATOM 1326 O ASN A 34 0.063 5.562 24.783 1.00 0.00 O ATOM 1327 CB ASN A 34 2.619 6.015 22.756 1.00 0.00 C ATOM 1328 CG ASN A 34 3.103 4.613 22.375 1.00 0.00 C ATOM 1329 OD1 ASN A 34 3.035 4.232 21.224 1.00 0.00 O ATOM 1330 ND2 ASN A 34 3.604 3.828 23.290 1.00 0.00 N ATOM 0 H ASN A 34 4.339 5.371 24.447 1.00 0.00 H new ATOM 0 HA ASN A 34 2.028 7.104 24.527 1.00 0.00 H new ATOM 0 HB2 ASN A 34 1.715 6.259 22.197 1.00 0.00 H new ATOM 0 HB3 ASN A 34 3.372 6.753 22.481 1.00 0.00 H new ATOM 0 HD21 ASN A 34 3.937 2.898 23.037 1.00 0.00 H new ATOM 0 HD22 ASN A 34 3.663 4.145 24.258 1.00 0.00 H new ATOM 1337 N ALA A 35 1.453 3.870 24.758 1.00 0.00 N ATOM 1338 CA ALA A 35 0.354 2.917 25.095 1.00 0.00 C ATOM 1339 C ALA A 35 -0.242 3.212 26.478 1.00 0.00 C ATOM 1340 O ALA A 35 -1.443 3.310 26.631 1.00 0.00 O ATOM 1341 CB ALA A 35 0.897 1.489 25.072 1.00 0.00 C ATOM 0 H ALA A 35 2.375 3.449 24.645 1.00 0.00 H new ATOM 0 HA ALA A 35 -0.436 3.034 24.353 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.096 0.791 25.318 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.283 1.263 24.078 1.00 0.00 H new ATOM 0 HB3 ALA A 35 1.699 1.393 25.804 1.00 0.00 H new ATOM 1347 N CYS A 36 0.575 3.331 27.494 1.00 0.00 N ATOM 1348 CA CYS A 36 0.022 3.588 28.858 1.00 0.00 C ATOM 1349 C CYS A 36 -0.796 4.882 28.853 1.00 0.00 C ATOM 1350 O CYS A 36 -1.845 4.964 29.460 1.00 0.00 O ATOM 1351 CB CYS A 36 1.159 3.730 29.878 1.00 0.00 C ATOM 1352 SG CYS A 36 1.996 2.142 30.129 1.00 0.00 S ATOM 0 H CYS A 36 1.591 3.262 27.439 1.00 0.00 H new ATOM 0 HA CYS A 36 -0.612 2.746 29.134 1.00 0.00 H new ATOM 0 HB2 CYS A 36 1.876 4.474 29.530 1.00 0.00 H new ATOM 0 HB3 CYS A 36 0.761 4.091 30.826 1.00 0.00 H new ATOM 0 HG CYS A 36 3.262 2.347 30.340 1.00 0.00 H new ATOM 1357 N GLY A 37 -0.325 5.897 28.184 1.00 0.00 N ATOM 1358 CA GLY A 37 -1.077 7.183 28.159 1.00 0.00 C ATOM 1359 C GLY A 37 -2.419 7.000 27.444 1.00 0.00 C ATOM 1360 O GLY A 37 -3.455 7.387 27.947 1.00 0.00 O ATOM 0 H GLY A 37 0.547 5.892 27.654 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.245 7.534 29.177 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.488 7.947 27.651 1.00 0.00 H new ATOM 1364 N LEU A 38 -2.410 6.427 26.272 1.00 0.00 N ATOM 1365 CA LEU A 38 -3.687 6.234 25.527 1.00 0.00 C ATOM 1366 C LEU A 38 -4.584 5.220 26.242 1.00 0.00 C ATOM 1367 O LEU A 38 -5.746 5.470 26.492 1.00 0.00 O ATOM 1368 CB LEU A 38 -3.369 5.704 24.126 1.00 0.00 C ATOM 1369 CG LEU A 38 -2.579 6.751 23.328 1.00 0.00 C ATOM 1370 CD1 LEU A 38 -2.021 6.101 22.057 1.00 0.00 C ATOM 1371 CD2 LEU A 38 -3.488 7.932 22.947 1.00 0.00 C ATOM 0 H LEU A 38 -1.574 6.084 25.798 1.00 0.00 H new ATOM 0 HA LEU A 38 -4.207 7.190 25.471 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.792 4.782 24.201 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.294 5.460 23.603 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.760 7.124 23.943 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.459 6.841 21.487 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -1.363 5.276 22.329 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.844 5.724 21.450 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.913 8.666 22.382 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -4.316 7.572 22.337 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.879 8.397 23.852 1.00 0.00 H new ATOM 1383 N PHE A 39 -4.060 4.065 26.549 1.00 0.00 N ATOM 1384 CA PHE A 39 -4.891 3.024 27.219 1.00 0.00 C ATOM 1385 C PHE A 39 -5.324 3.471 28.616 1.00 0.00 C ATOM 1386 O PHE A 39 -6.483 3.384 28.970 1.00 0.00 O ATOM 1387 CB PHE A 39 -4.083 1.733 27.345 1.00 0.00 C ATOM 1388 CG PHE A 39 -4.901 0.708 28.097 1.00 0.00 C ATOM 1389 CD1 PHE A 39 -4.878 0.694 29.497 1.00 0.00 C ATOM 1390 CD2 PHE A 39 -5.695 -0.211 27.401 1.00 0.00 C ATOM 1391 CE1 PHE A 39 -5.646 -0.239 30.201 1.00 0.00 C ATOM 1392 CE2 PHE A 39 -6.465 -1.144 28.106 1.00 0.00 C ATOM 1393 CZ PHE A 39 -6.440 -1.158 29.505 1.00 0.00 C ATOM 0 H PHE A 39 -3.093 3.797 26.365 1.00 0.00 H new ATOM 0 HA PHE A 39 -5.782 2.862 26.612 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -3.823 1.354 26.357 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -3.147 1.925 27.869 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -4.267 1.404 30.034 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -5.714 -0.200 26.321 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -5.626 -0.250 31.281 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -7.078 -1.853 27.570 1.00 0.00 H new ATOM 0 HZ PHE A 39 -7.034 -1.878 30.048 1.00 0.00 H new ATOM 1403 N LEU A 40 -4.406 3.917 29.426 1.00 0.00 N ATOM 1404 CA LEU A 40 -4.788 4.324 30.804 1.00 0.00 C ATOM 1405 C LEU A 40 -5.804 5.468 30.737 1.00 0.00 C ATOM 1406 O LEU A 40 -6.805 5.456 31.422 1.00 0.00 O ATOM 1407 CB LEU A 40 -3.542 4.762 31.579 1.00 0.00 C ATOM 1408 CG LEU A 40 -3.869 4.876 33.076 1.00 0.00 C ATOM 1409 CD1 LEU A 40 -3.993 3.481 33.716 1.00 0.00 C ATOM 1410 CD2 LEU A 40 -2.754 5.660 33.774 1.00 0.00 C ATOM 0 H LEU A 40 -3.417 4.016 29.196 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.241 3.478 31.321 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.738 4.042 31.428 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -3.187 5.721 31.202 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.821 5.394 33.190 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.225 3.586 34.776 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.790 2.924 33.224 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.052 2.943 33.602 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.979 5.745 34.837 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.806 5.138 33.645 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.682 6.656 33.338 1.00 0.00 H new ATOM 1422 N LYS A 41 -5.560 6.457 29.921 1.00 0.00 N ATOM 1423 CA LYS A 41 -6.526 7.589 29.825 1.00 0.00 C ATOM 1424 C LYS A 41 -7.887 7.080 29.343 1.00 0.00 C ATOM 1425 O LYS A 41 -8.919 7.451 29.867 1.00 0.00 O ATOM 1426 CB LYS A 41 -5.997 8.641 28.841 1.00 0.00 C ATOM 1427 CG LYS A 41 -6.987 9.824 28.727 1.00 0.00 C ATOM 1428 CD LYS A 41 -7.833 9.701 27.452 1.00 0.00 C ATOM 1429 CE LYS A 41 -8.825 10.865 27.377 1.00 0.00 C ATOM 1430 NZ LYS A 41 -9.565 10.801 26.085 1.00 0.00 N ATOM 0 H LYS A 41 -4.739 6.531 29.320 1.00 0.00 H new ATOM 0 HA LYS A 41 -6.641 8.038 30.812 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -5.025 9.004 29.175 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -5.848 8.188 27.861 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -7.638 9.846 29.601 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -6.437 10.765 28.716 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -7.187 9.704 26.574 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -8.370 8.752 27.450 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -9.524 10.816 28.212 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -8.296 11.814 27.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -10.240 11.591 26.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -8.891 10.867 25.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -10.081 9.900 26.025 1.00 0.00 H new ATOM 1444 N LEU A 42 -7.903 6.253 28.332 1.00 0.00 N ATOM 1445 CA LEU A 42 -9.207 5.751 27.807 1.00 0.00 C ATOM 1446 C LEU A 42 -9.858 4.791 28.808 1.00 0.00 C ATOM 1447 O LEU A 42 -11.059 4.798 28.988 1.00 0.00 O ATOM 1448 CB LEU A 42 -8.982 4.991 26.495 1.00 0.00 C ATOM 1449 CG LEU A 42 -8.578 5.949 25.366 1.00 0.00 C ATOM 1450 CD1 LEU A 42 -8.168 5.121 24.143 1.00 0.00 C ATOM 1451 CD2 LEU A 42 -9.751 6.873 24.992 1.00 0.00 C ATOM 0 H LEU A 42 -7.075 5.905 27.849 1.00 0.00 H new ATOM 0 HA LEU A 42 -9.858 6.610 27.644 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -8.205 4.240 26.635 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -9.893 4.460 26.218 1.00 0.00 H new ATOM 0 HG LEU A 42 -7.746 6.568 25.701 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -7.878 5.789 23.332 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -7.326 4.480 24.403 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -9.008 4.505 23.823 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -9.444 7.544 24.190 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -10.596 6.271 24.658 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -10.045 7.459 25.863 1.00 0.00 H new ATOM 1463 N HIS A 43 -9.089 3.937 29.431 1.00 0.00 N ATOM 1464 CA HIS A 43 -9.688 2.950 30.380 1.00 0.00 C ATOM 1465 C HIS A 43 -9.827 3.538 31.787 1.00 0.00 C ATOM 1466 O HIS A 43 -10.814 3.307 32.457 1.00 0.00 O ATOM 1467 CB HIS A 43 -8.803 1.698 30.418 1.00 0.00 C ATOM 1468 CG HIS A 43 -9.081 0.851 29.203 1.00 0.00 C ATOM 1469 ND1 HIS A 43 -8.433 1.050 27.994 1.00 0.00 N ATOM 1470 CD2 HIS A 43 -9.953 -0.189 28.995 1.00 0.00 C ATOM 1471 CE1 HIS A 43 -8.922 0.151 27.121 1.00 0.00 C ATOM 1472 NE2 HIS A 43 -9.851 -0.629 27.679 1.00 0.00 N ATOM 0 H HIS A 43 -8.076 3.879 29.325 1.00 0.00 H new ATOM 0 HA HIS A 43 -10.688 2.693 30.032 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -7.751 1.983 30.443 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -9.000 1.127 31.326 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -7.717 1.750 27.802 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -10.617 -0.603 29.740 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -8.602 0.070 26.093 1.00 0.00 H new ATOM 1480 N GLY A 44 -8.871 4.288 32.259 1.00 0.00 N ATOM 1481 CA GLY A 44 -9.001 4.863 33.629 1.00 0.00 C ATOM 1482 C GLY A 44 -8.855 3.767 34.688 1.00 0.00 C ATOM 1483 O GLY A 44 -9.121 3.991 35.852 1.00 0.00 O ATOM 0 H GLY A 44 -8.013 4.527 31.762 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -8.240 5.628 33.782 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -9.970 5.351 33.734 1.00 0.00 H new ATOM 1487 N VAL A 45 -8.439 2.585 34.307 1.00 0.00 N ATOM 1488 CA VAL A 45 -8.282 1.484 35.311 1.00 0.00 C ATOM 1489 C VAL A 45 -7.035 0.661 34.998 1.00 0.00 C ATOM 1490 O VAL A 45 -6.709 0.405 33.855 1.00 0.00 O ATOM 1491 CB VAL A 45 -9.507 0.565 35.285 1.00 0.00 C ATOM 1492 CG1 VAL A 45 -10.681 1.251 35.985 1.00 0.00 C ATOM 1493 CG2 VAL A 45 -9.887 0.256 33.835 1.00 0.00 C ATOM 0 H VAL A 45 -8.202 2.334 33.347 1.00 0.00 H new ATOM 0 HA VAL A 45 -8.185 1.932 36.300 1.00 0.00 H new ATOM 0 HB VAL A 45 -9.270 -0.364 35.804 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -11.551 0.594 35.965 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -10.413 1.466 37.019 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -10.917 2.182 35.471 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -10.759 -0.398 33.819 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -10.120 1.185 33.314 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -9.053 -0.239 33.338 1.00 0.00 H new ATOM 1503 N VAL A 46 -6.343 0.239 36.017 1.00 0.00 N ATOM 1504 CA VAL A 46 -5.119 -0.578 35.807 1.00 0.00 C ATOM 1505 C VAL A 46 -5.469 -1.800 34.960 1.00 0.00 C ATOM 1506 O VAL A 46 -6.591 -2.265 34.954 1.00 0.00 O ATOM 1507 CB VAL A 46 -4.571 -1.023 37.163 1.00 0.00 C ATOM 1508 CG1 VAL A 46 -4.256 0.216 38.003 1.00 0.00 C ATOM 1509 CG2 VAL A 46 -5.615 -1.879 37.884 1.00 0.00 C ATOM 0 H VAL A 46 -6.575 0.426 36.992 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.362 0.012 35.290 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.665 -1.611 37.018 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -3.864 -0.092 38.973 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.513 0.825 37.488 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.166 0.799 38.148 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -5.222 -2.195 38.850 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -6.523 -1.295 38.035 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -5.845 -2.757 37.281 1.00 0.00 H new ATOM 1519 N ARG A 47 -4.517 -2.308 34.230 1.00 0.00 N ATOM 1520 CA ARG A 47 -4.781 -3.488 33.359 1.00 0.00 C ATOM 1521 C ARG A 47 -3.477 -4.293 33.233 1.00 0.00 C ATOM 1522 O ARG A 47 -2.422 -3.707 33.086 1.00 0.00 O ATOM 1523 CB ARG A 47 -5.231 -2.946 31.994 1.00 0.00 C ATOM 1524 CG ARG A 47 -5.515 -4.071 30.987 1.00 0.00 C ATOM 1525 CD ARG A 47 -6.923 -4.648 31.204 1.00 0.00 C ATOM 1526 NE ARG A 47 -6.926 -6.083 30.793 1.00 0.00 N ATOM 1527 CZ ARG A 47 -6.457 -6.445 29.630 1.00 0.00 C ATOM 1528 NH1 ARG A 47 -6.216 -5.551 28.711 1.00 0.00 N ATOM 1529 NH2 ARG A 47 -6.291 -7.710 29.363 1.00 0.00 N ATOM 0 H ARG A 47 -3.561 -1.955 34.199 1.00 0.00 H new ATOM 0 HA ARG A 47 -5.552 -4.142 33.766 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -6.129 -2.341 32.123 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -4.459 -2.289 31.594 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -5.426 -3.688 29.971 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -4.772 -4.861 31.096 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -7.211 -4.555 32.251 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -7.654 -4.087 30.621 1.00 0.00 H new ATOM 0 HE ARG A 47 -7.299 -6.789 31.428 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -6.394 -4.565 28.900 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -5.849 -5.838 27.804 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -6.527 -8.414 30.062 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -5.925 -7.996 28.455 1.00 0.00 H new ATOM 1543 N PRO A 48 -3.522 -5.608 33.298 1.00 0.00 N ATOM 1544 CA PRO A 48 -2.306 -6.461 33.194 1.00 0.00 C ATOM 1545 C PRO A 48 -1.190 -5.838 32.350 1.00 0.00 C ATOM 1546 O PRO A 48 -1.195 -5.917 31.141 1.00 0.00 O ATOM 1547 CB PRO A 48 -2.853 -7.719 32.527 1.00 0.00 C ATOM 1548 CG PRO A 48 -4.234 -7.872 33.092 1.00 0.00 C ATOM 1549 CD PRO A 48 -4.719 -6.460 33.480 1.00 0.00 C ATOM 0 HA PRO A 48 -1.835 -6.624 34.163 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -2.877 -7.615 31.442 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -2.234 -8.588 32.750 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -4.903 -8.322 32.359 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -4.225 -8.529 33.961 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -5.542 -6.132 32.845 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -5.078 -6.430 34.509 1.00 0.00 H new ATOM 1557 N LEU A 49 -0.222 -5.234 32.981 1.00 0.00 N ATOM 1558 CA LEU A 49 0.900 -4.635 32.205 1.00 0.00 C ATOM 1559 C LEU A 49 1.591 -5.760 31.424 1.00 0.00 C ATOM 1560 O LEU A 49 2.399 -5.522 30.548 1.00 0.00 O ATOM 1561 CB LEU A 49 1.890 -3.953 33.156 1.00 0.00 C ATOM 1562 CG LEU A 49 1.190 -2.816 33.922 1.00 0.00 C ATOM 1563 CD1 LEU A 49 2.108 -2.308 35.043 1.00 0.00 C ATOM 1564 CD2 LEU A 49 0.850 -1.655 32.970 1.00 0.00 C ATOM 0 H LEU A 49 -0.159 -5.129 33.994 1.00 0.00 H new ATOM 0 HA LEU A 49 0.525 -3.880 31.514 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.292 -4.682 33.859 1.00 0.00 H new ATOM 0 HB3 LEU A 49 2.734 -3.556 32.592 1.00 0.00 H new ATOM 0 HG LEU A 49 0.265 -3.201 34.351 1.00 0.00 H new ATOM 0 HD11 LEU A 49 1.610 -1.503 35.584 1.00 0.00 H new ATOM 0 HD12 LEU A 49 2.329 -3.125 35.730 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.037 -1.935 34.612 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.356 -0.860 33.528 1.00 0.00 H new ATOM 0 HD22 LEU A 49 1.767 -1.270 32.524 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.186 -2.012 32.183 1.00 0.00 H new ATOM 1576 N SER A 50 1.273 -6.987 31.750 1.00 0.00 N ATOM 1577 CA SER A 50 1.898 -8.150 31.051 1.00 0.00 C ATOM 1578 C SER A 50 1.603 -8.079 29.550 1.00 0.00 C ATOM 1579 O SER A 50 2.140 -8.837 28.768 1.00 0.00 O ATOM 1580 CB SER A 50 1.330 -9.453 31.615 1.00 0.00 C ATOM 1581 OG SER A 50 1.831 -10.549 30.862 1.00 0.00 O ATOM 0 H SER A 50 0.601 -7.235 32.477 1.00 0.00 H new ATOM 0 HA SER A 50 2.976 -8.120 31.208 1.00 0.00 H new ATOM 0 HB2 SER A 50 1.608 -9.560 32.664 1.00 0.00 H new ATOM 0 HB3 SER A 50 0.241 -9.436 31.574 1.00 0.00 H new ATOM 0 HG SER A 50 2.180 -10.225 30.006 1.00 0.00 H new ATOM 1587 N LEU A 51 0.768 -7.165 29.138 1.00 0.00 N ATOM 1588 CA LEU A 51 0.464 -7.040 27.682 1.00 0.00 C ATOM 1589 C LEU A 51 1.665 -6.397 26.996 1.00 0.00 C ATOM 1590 O LEU A 51 2.046 -6.759 25.901 1.00 0.00 O ATOM 1591 CB LEU A 51 -0.744 -6.125 27.487 1.00 0.00 C ATOM 1592 CG LEU A 51 -1.970 -6.706 28.194 1.00 0.00 C ATOM 1593 CD1 LEU A 51 -3.038 -5.618 28.315 1.00 0.00 C ATOM 1594 CD2 LEU A 51 -2.540 -7.885 27.396 1.00 0.00 C ATOM 0 H LEU A 51 0.284 -6.501 29.743 1.00 0.00 H new ATOM 0 HA LEU A 51 0.253 -8.024 27.264 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.525 -5.133 27.881 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.951 -6.007 26.423 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.676 -7.059 29.183 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -3.916 -6.024 28.818 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.643 -4.783 28.893 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.318 -5.271 27.320 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.412 -8.287 27.913 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.832 -7.545 26.403 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.782 -8.663 27.305 1.00 0.00 H new ATOM 1606 N LYS A 52 2.252 -5.431 27.645 1.00 0.00 N ATOM 1607 CA LYS A 52 3.429 -4.721 27.070 1.00 0.00 C ATOM 1608 C LYS A 52 4.390 -5.708 26.405 1.00 0.00 C ATOM 1609 O LYS A 52 4.408 -6.885 26.704 1.00 0.00 O ATOM 1610 CB LYS A 52 4.163 -3.999 28.207 1.00 0.00 C ATOM 1611 CG LYS A 52 5.399 -3.241 27.673 1.00 0.00 C ATOM 1612 CD LYS A 52 6.686 -4.076 27.854 1.00 0.00 C ATOM 1613 CE LYS A 52 7.309 -3.796 29.225 1.00 0.00 C ATOM 1614 NZ LYS A 52 6.252 -3.857 30.273 1.00 0.00 N ATOM 0 H LYS A 52 1.961 -5.098 28.564 1.00 0.00 H new ATOM 0 HA LYS A 52 3.084 -4.013 26.317 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.485 -3.299 28.696 1.00 0.00 H new ATOM 0 HB3 LYS A 52 4.473 -4.722 28.962 1.00 0.00 H new ATOM 0 HG2 LYS A 52 5.258 -3.008 26.617 1.00 0.00 H new ATOM 0 HG3 LYS A 52 5.501 -2.291 28.198 1.00 0.00 H new ATOM 0 HD2 LYS A 52 6.456 -5.137 27.761 1.00 0.00 H new ATOM 0 HD3 LYS A 52 7.399 -3.834 27.066 1.00 0.00 H new ATOM 0 HE2 LYS A 52 8.089 -4.527 29.438 1.00 0.00 H new ATOM 0 HE3 LYS A 52 7.782 -2.814 29.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 6.657 -3.584 31.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 5.481 -3.204 30.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 5.879 -4.826 30.334 1.00 0.00 H new ATOM 1628 N THR A 53 5.213 -5.211 25.522 1.00 0.00 N ATOM 1629 CA THR A 53 6.218 -6.068 24.836 1.00 0.00 C ATOM 1630 C THR A 53 7.434 -5.212 24.497 1.00 0.00 C ATOM 1631 O THR A 53 7.384 -4.000 24.558 1.00 0.00 O ATOM 1632 CB THR A 53 5.633 -6.632 23.542 1.00 0.00 C ATOM 1633 OG1 THR A 53 6.686 -7.125 22.727 1.00 0.00 O ATOM 1634 CG2 THR A 53 4.882 -5.525 22.800 1.00 0.00 C ATOM 0 H THR A 53 5.230 -4.230 25.243 1.00 0.00 H new ATOM 0 HA THR A 53 6.498 -6.894 25.490 1.00 0.00 H new ATOM 0 HB THR A 53 4.943 -7.444 23.773 1.00 0.00 H new ATOM 0 HG1 THR A 53 6.314 -7.489 21.897 1.00 0.00 H new ATOM 0 HG21 THR A 53 4.464 -5.925 21.876 1.00 0.00 H new ATOM 0 HG22 THR A 53 4.076 -5.147 23.429 1.00 0.00 H new ATOM 0 HG23 THR A 53 5.570 -4.713 22.565 1.00 0.00 H new ATOM 1642 N ASP A 54 8.523 -5.823 24.124 1.00 0.00 N ATOM 1643 CA ASP A 54 9.733 -5.029 23.765 1.00 0.00 C ATOM 1644 C ASP A 54 9.705 -4.804 22.254 1.00 0.00 C ATOM 1645 O ASP A 54 10.578 -4.178 21.686 1.00 0.00 O ATOM 1646 CB ASP A 54 10.991 -5.810 24.153 1.00 0.00 C ATOM 1647 CG ASP A 54 11.025 -5.994 25.672 1.00 0.00 C ATOM 1648 OD1 ASP A 54 10.399 -5.204 26.360 1.00 0.00 O ATOM 1649 OD2 ASP A 54 11.672 -6.926 26.121 1.00 0.00 O ATOM 0 H ASP A 54 8.629 -6.835 24.052 1.00 0.00 H new ATOM 0 HA ASP A 54 9.741 -4.075 24.292 1.00 0.00 H new ATOM 0 HB2 ASP A 54 10.997 -6.781 23.658 1.00 0.00 H new ATOM 0 HB3 ASP A 54 11.881 -5.276 23.820 1.00 0.00 H new ATOM 1654 N VAL A 55 8.684 -5.310 21.610 1.00 0.00 N ATOM 1655 CA VAL A 55 8.530 -5.146 20.133 1.00 0.00 C ATOM 1656 C VAL A 55 7.295 -4.283 19.865 1.00 0.00 C ATOM 1657 O VAL A 55 6.232 -4.520 20.405 1.00 0.00 O ATOM 1658 CB VAL A 55 8.345 -6.521 19.486 1.00 0.00 C ATOM 1659 CG1 VAL A 55 8.059 -6.350 17.992 1.00 0.00 C ATOM 1660 CG2 VAL A 55 9.621 -7.351 19.670 1.00 0.00 C ATOM 0 H VAL A 55 7.936 -5.841 22.056 1.00 0.00 H new ATOM 0 HA VAL A 55 9.416 -4.669 19.713 1.00 0.00 H new ATOM 0 HB VAL A 55 7.508 -7.033 19.960 1.00 0.00 H new ATOM 0 HG11 VAL A 55 7.927 -7.330 17.532 1.00 0.00 H new ATOM 0 HG12 VAL A 55 7.150 -5.762 17.860 1.00 0.00 H new ATOM 0 HG13 VAL A 55 8.895 -5.836 17.518 1.00 0.00 H new ATOM 0 HG21 VAL A 55 9.488 -8.330 19.209 1.00 0.00 H new ATOM 0 HG22 VAL A 55 10.460 -6.839 19.198 1.00 0.00 H new ATOM 0 HG23 VAL A 55 9.824 -7.476 20.734 1.00 0.00 H new ATOM 1670 N ILE A 56 7.433 -3.283 19.036 1.00 0.00 N ATOM 1671 CA ILE A 56 6.284 -2.382 18.712 1.00 0.00 C ATOM 1672 C ILE A 56 5.865 -2.617 17.257 1.00 0.00 C ATOM 1673 O ILE A 56 6.689 -2.626 16.365 1.00 0.00 O ATOM 1674 CB ILE A 56 6.728 -0.929 18.897 1.00 0.00 C ATOM 1675 CG1 ILE A 56 7.164 -0.719 20.350 1.00 0.00 C ATOM 1676 CG2 ILE A 56 5.554 0.002 18.587 1.00 0.00 C ATOM 1677 CD1 ILE A 56 7.862 0.636 20.489 1.00 0.00 C ATOM 0 H ILE A 56 8.305 -3.047 18.562 1.00 0.00 H new ATOM 0 HA ILE A 56 5.440 -2.590 19.370 1.00 0.00 H new ATOM 0 HB ILE A 56 7.558 -0.710 18.225 1.00 0.00 H new ATOM 0 HG12 ILE A 56 6.297 -0.762 21.010 1.00 0.00 H new ATOM 0 HG13 ILE A 56 7.838 -1.519 20.657 1.00 0.00 H new ATOM 0 HG21 ILE A 56 5.867 1.038 18.718 1.00 0.00 H new ATOM 0 HG22 ILE A 56 5.230 -0.152 17.558 1.00 0.00 H new ATOM 0 HG23 ILE A 56 4.728 -0.216 19.264 1.00 0.00 H new ATOM 0 HD11 ILE A 56 8.171 0.782 21.524 1.00 0.00 H new ATOM 0 HD12 ILE A 56 8.739 0.662 19.842 1.00 0.00 H new ATOM 0 HD13 ILE A 56 7.174 1.431 20.200 1.00 0.00 H new ATOM 1689 N LYS A 57 4.600 -2.825 17.006 1.00 0.00 N ATOM 1690 CA LYS A 57 4.156 -3.076 15.603 1.00 0.00 C ATOM 1691 C LYS A 57 4.057 -1.741 14.858 1.00 0.00 C ATOM 1692 O LYS A 57 3.415 -0.813 15.307 1.00 0.00 O ATOM 1693 CB LYS A 57 2.786 -3.765 15.623 1.00 0.00 C ATOM 1694 CG LYS A 57 2.403 -4.212 14.210 1.00 0.00 C ATOM 1695 CD LYS A 57 1.041 -4.911 14.248 1.00 0.00 C ATOM 1696 CE LYS A 57 0.523 -5.113 12.822 1.00 0.00 C ATOM 1697 NZ LYS A 57 1.608 -5.678 11.970 1.00 0.00 N ATOM 0 H LYS A 57 3.859 -2.832 17.706 1.00 0.00 H new ATOM 0 HA LYS A 57 4.875 -3.719 15.095 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.813 -4.626 16.291 1.00 0.00 H new ATOM 0 HB3 LYS A 57 2.032 -3.082 16.014 1.00 0.00 H new ATOM 0 HG2 LYS A 57 2.363 -3.351 13.543 1.00 0.00 H new ATOM 0 HG3 LYS A 57 3.160 -4.888 13.813 1.00 0.00 H new ATOM 0 HD2 LYS A 57 1.130 -5.873 14.752 1.00 0.00 H new ATOM 0 HD3 LYS A 57 0.332 -4.315 14.822 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -0.335 -5.785 12.828 1.00 0.00 H new ATOM 0 HE3 LYS A 57 0.181 -4.163 12.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 1.190 -6.154 11.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 2.231 -4.911 11.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 2.161 -6.364 12.522 1.00 0.00 H new ATOM 1711 N LYS A 58 4.687 -1.642 13.715 1.00 0.00 N ATOM 1712 CA LYS A 58 4.634 -0.372 12.930 1.00 0.00 C ATOM 1713 C LYS A 58 3.434 -0.411 11.985 1.00 0.00 C ATOM 1714 O LYS A 58 3.210 -1.384 11.293 1.00 0.00 O ATOM 1715 CB LYS A 58 5.917 -0.213 12.104 1.00 0.00 C ATOM 1716 CG LYS A 58 7.151 -0.216 13.016 1.00 0.00 C ATOM 1717 CD LYS A 58 7.234 1.087 13.819 1.00 0.00 C ATOM 1718 CE LYS A 58 8.577 1.150 14.550 1.00 0.00 C ATOM 1719 NZ LYS A 58 9.684 1.267 13.560 1.00 0.00 N ATOM 0 H LYS A 58 5.237 -2.389 13.291 1.00 0.00 H new ATOM 0 HA LYS A 58 4.540 0.469 13.618 1.00 0.00 H new ATOM 0 HB2 LYS A 58 5.992 -1.024 11.379 1.00 0.00 H new ATOM 0 HB3 LYS A 58 5.879 0.718 11.538 1.00 0.00 H new ATOM 0 HG2 LYS A 58 7.104 -1.066 13.697 1.00 0.00 H new ATOM 0 HG3 LYS A 58 8.053 -0.337 12.416 1.00 0.00 H new ATOM 0 HD2 LYS A 58 7.129 1.944 13.154 1.00 0.00 H new ATOM 0 HD3 LYS A 58 6.415 1.138 14.536 1.00 0.00 H new ATOM 0 HE2 LYS A 58 8.592 2.002 15.229 1.00 0.00 H new ATOM 0 HE3 LYS A 58 8.713 0.256 15.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 10.516 1.690 14.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 9.929 0.322 13.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 9.380 1.870 12.769 1.00 0.00 H new ATOM 1733 N ARG A 59 2.652 0.633 11.961 1.00 0.00 N ATOM 1734 CA ARG A 59 1.454 0.659 11.075 1.00 0.00 C ATOM 1735 C ARG A 59 1.786 1.415 9.791 1.00 0.00 C ATOM 1736 O ARG A 59 2.905 1.839 9.575 1.00 0.00 O ATOM 1737 CB ARG A 59 0.310 1.369 11.800 1.00 0.00 C ATOM 1738 CG ARG A 59 0.148 0.783 13.208 1.00 0.00 C ATOM 1739 CD ARG A 59 -0.094 -0.728 13.135 1.00 0.00 C ATOM 1740 NE ARG A 59 -1.067 -1.033 12.039 1.00 0.00 N ATOM 1741 CZ ARG A 59 -2.269 -0.526 12.039 1.00 0.00 C ATOM 1742 NH1 ARG A 59 -2.701 0.134 13.078 1.00 0.00 N ATOM 1743 NH2 ARG A 59 -3.055 -0.709 11.013 1.00 0.00 N ATOM 0 H ARG A 59 2.792 1.474 12.521 1.00 0.00 H new ATOM 0 HA ARG A 59 1.158 -0.361 10.829 1.00 0.00 H new ATOM 0 HB2 ARG A 59 0.514 2.438 11.862 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -0.617 1.253 11.238 1.00 0.00 H new ATOM 0 HG2 ARG A 59 1.042 0.986 13.798 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -0.686 1.267 13.716 1.00 0.00 H new ATOM 0 HD2 ARG A 59 0.847 -1.248 12.954 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -0.480 -1.090 14.088 1.00 0.00 H new ATOM 0 HE ARG A 59 -0.785 -1.649 11.277 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -2.099 0.254 13.892 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -3.641 0.530 13.076 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -2.729 -1.249 10.211 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -3.995 -0.312 11.013 1.00 0.00 H new ATOM 1757 N ASN A 60 0.833 1.536 8.911 1.00 0.00 N ATOM 1758 CA ASN A 60 1.094 2.199 7.606 1.00 0.00 C ATOM 1759 C ASN A 60 1.361 3.696 7.783 1.00 0.00 C ATOM 1760 O ASN A 60 1.021 4.307 8.776 1.00 0.00 O ATOM 1761 CB ASN A 60 -0.125 2.016 6.700 1.00 0.00 C ATOM 1762 CG ASN A 60 -0.350 0.527 6.432 1.00 0.00 C ATOM 1763 OD1 ASN A 60 -1.459 0.041 6.534 1.00 0.00 O ATOM 1764 ND2 ASN A 60 0.663 -0.224 6.093 1.00 0.00 N ATOM 0 H ASN A 60 -0.122 1.202 9.041 1.00 0.00 H new ATOM 0 HA ASN A 60 1.978 1.742 7.162 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -1.008 2.448 7.171 1.00 0.00 H new ATOM 0 HB3 ASN A 60 0.026 2.546 5.759 1.00 0.00 H new ATOM 0 HD21 ASN A 60 0.523 -1.218 5.914 1.00 0.00 H new ATOM 0 HD22 ASN A 60 1.594 0.184 6.007 1.00 0.00 H new