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 157:sc= 1.39 USER MOD Set 1.2: A 15 CYS SG : rot -58:sc= 0.0134 USER MOD Set 1.3: A 17 THR OG1 : rot 86:sc= -0.842! USER MOD Set 1.4: A 33 CYS SG : rot -132:sc= 0.992 USER MOD Set 1.5: A 36 CYS SG : rot 147:sc= 0.194 USER MOD Set 2.1: A 20 THR OG1 : rot -122:sc= 0.0602 USER MOD Set 2.2: A 34 ASN : amide:sc= -10.3! K(o=-10!,f=-1.5) USER MOD Set 3.1: A 13 THR OG1 : rot 150:sc= 0.0152 USER MOD Set 3.2: A 30 GLN : amide:sc=-7.09e-05 K(o=0.015,f=-1.7!) USER MOD Single : A 11 THR OG1 : rot 26:sc= 0.0776 USER MOD Single : A 14 ASN : amide:sc= -5.92! C(o=-5.9!,f=-5.1!) USER MOD Single : A 18 GLN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -12! C(o=-12!,f=-4!) USER MOD Single : A 41 LYS NZ :NH3+ -109:sc= -1.15 (180deg=-3.56!) USER MOD Single : A 43 HIS : no HE2:sc= -8.06! C(o=-8.1!,f=-11!) USER MOD Single : A 50 SER OG : rot -24:sc= 0.273! USER MOD Single : A 52 LYS NZ :NH3+ -115:sc= 1.23 (180deg=-0.722) USER MOD Single : A 53 THR OG1 : rot 140:sc= -1.5 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -125:sc= -1.74 (180deg=-4.24!) USER MOD Single : A 60 ASN : amide:sc= -0.0106 K(o=-0.011,f=-1.3!) USER MOD ----------------------------------------------------------------- ATOM 970 N THR A 11 11.988 7.730 30.244 1.00 0.00 N ATOM 971 CA THR A 11 11.680 6.335 30.707 1.00 0.00 C ATOM 972 C THR A 11 10.210 6.241 31.137 1.00 0.00 C ATOM 973 O THR A 11 9.690 7.122 31.792 1.00 0.00 O ATOM 974 CB THR A 11 12.572 5.998 31.904 1.00 0.00 C ATOM 975 OG1 THR A 11 13.937 6.052 31.510 1.00 0.00 O ATOM 976 CG2 THR A 11 12.241 4.596 32.417 1.00 0.00 C ATOM 0 HA THR A 11 11.864 5.635 29.892 1.00 0.00 H new ATOM 0 HB THR A 11 12.395 6.722 32.700 1.00 0.00 H new ATOM 0 HG1 THR A 11 14.034 6.664 30.751 1.00 0.00 H new ATOM 0 HG21 THR A 11 12.879 4.360 33.269 1.00 0.00 H new ATOM 0 HG22 THR A 11 11.196 4.558 32.724 1.00 0.00 H new ATOM 0 HG23 THR A 11 12.412 3.868 31.624 1.00 0.00 H new ATOM 984 N CYS A 12 9.536 5.175 30.781 1.00 0.00 N ATOM 985 CA CYS A 12 8.101 5.030 31.179 1.00 0.00 C ATOM 986 C CYS A 12 8.010 4.522 32.617 1.00 0.00 C ATOM 987 O CYS A 12 8.287 3.374 32.906 1.00 0.00 O ATOM 988 CB CYS A 12 7.389 4.045 30.248 1.00 0.00 C ATOM 989 SG CYS A 12 5.597 4.258 30.425 1.00 0.00 S ATOM 0 H CYS A 12 9.915 4.402 30.234 1.00 0.00 H new ATOM 0 HA CYS A 12 7.619 6.005 31.105 1.00 0.00 H new ATOM 0 HB2 CYS A 12 7.689 4.219 29.215 1.00 0.00 H new ATOM 0 HB3 CYS A 12 7.673 3.022 30.494 1.00 0.00 H new ATOM 0 HG CYS A 12 5.000 3.816 29.358 1.00 0.00 H new ATOM 994 N THR A 13 7.606 5.378 33.512 1.00 0.00 N ATOM 995 CA THR A 13 7.481 4.981 34.941 1.00 0.00 C ATOM 996 C THR A 13 6.385 3.929 35.104 1.00 0.00 C ATOM 997 O THR A 13 6.224 3.359 36.165 1.00 0.00 O ATOM 998 CB THR A 13 7.115 6.210 35.777 1.00 0.00 C ATOM 999 OG1 THR A 13 6.065 6.918 35.134 1.00 0.00 O ATOM 1000 CG2 THR A 13 8.337 7.117 35.922 1.00 0.00 C ATOM 0 H THR A 13 7.354 6.346 33.312 1.00 0.00 H new ATOM 0 HA THR A 13 8.432 4.566 35.276 1.00 0.00 H new ATOM 0 HB THR A 13 6.787 5.893 36.767 1.00 0.00 H new ATOM 0 HG1 THR A 13 5.515 7.370 35.807 1.00 0.00 H new ATOM 0 HG21 THR A 13 8.073 7.991 36.518 1.00 0.00 H new ATOM 0 HG22 THR A 13 9.140 6.570 36.417 1.00 0.00 H new ATOM 0 HG23 THR A 13 8.671 7.438 34.935 1.00 0.00 H new ATOM 1008 N ASN A 14 5.609 3.684 34.081 1.00 0.00 N ATOM 1009 CA ASN A 14 4.500 2.690 34.198 1.00 0.00 C ATOM 1010 C ASN A 14 4.890 1.338 33.590 1.00 0.00 C ATOM 1011 O ASN A 14 4.460 0.310 34.073 1.00 0.00 O ATOM 1012 CB ASN A 14 3.271 3.239 33.469 1.00 0.00 C ATOM 1013 CG ASN A 14 2.614 4.327 34.322 1.00 0.00 C ATOM 1014 OD1 ASN A 14 1.536 4.791 34.009 1.00 0.00 O ATOM 1015 ND2 ASN A 14 3.226 4.760 35.392 1.00 0.00 N ATOM 0 H ASN A 14 5.695 4.130 33.168 1.00 0.00 H new ATOM 0 HA ASN A 14 4.285 2.532 35.255 1.00 0.00 H new ATOM 0 HB2 ASN A 14 3.562 3.647 32.501 1.00 0.00 H new ATOM 0 HB3 ASN A 14 2.561 2.435 33.276 1.00 0.00 H new ATOM 0 HD21 ASN A 14 2.799 5.488 35.965 1.00 0.00 H new ATOM 0 HD22 ASN A 14 4.131 4.370 35.655 1.00 0.00 H new ATOM 1022 N CYS A 15 5.674 1.309 32.537 1.00 0.00 N ATOM 1023 CA CYS A 15 6.042 -0.009 31.921 1.00 0.00 C ATOM 1024 C CYS A 15 7.525 -0.035 31.540 1.00 0.00 C ATOM 1025 O CYS A 15 7.981 -0.950 30.883 1.00 0.00 O ATOM 1026 CB CYS A 15 5.175 -0.267 30.683 1.00 0.00 C ATOM 1027 SG CYS A 15 5.777 0.704 29.278 1.00 0.00 S ATOM 0 H CYS A 15 6.071 2.130 32.081 1.00 0.00 H new ATOM 0 HA CYS A 15 5.863 -0.796 32.654 1.00 0.00 H new ATOM 0 HB2 CYS A 15 5.192 -1.328 30.434 1.00 0.00 H new ATOM 0 HB3 CYS A 15 4.138 -0.006 30.896 1.00 0.00 H new ATOM 0 HG CYS A 15 5.771 1.966 29.589 1.00 0.00 H new ATOM 1032 N PHE A 16 8.282 0.939 31.967 1.00 0.00 N ATOM 1033 CA PHE A 16 9.746 0.964 31.671 1.00 0.00 C ATOM 1034 C PHE A 16 10.026 0.985 30.165 1.00 0.00 C ATOM 1035 O PHE A 16 11.169 0.946 29.753 1.00 0.00 O ATOM 1036 CB PHE A 16 10.421 -0.260 32.296 1.00 0.00 C ATOM 1037 CG PHE A 16 10.114 -0.312 33.775 1.00 0.00 C ATOM 1038 CD1 PHE A 16 10.856 0.465 34.672 1.00 0.00 C ATOM 1039 CD2 PHE A 16 9.091 -1.143 34.249 1.00 0.00 C ATOM 1040 CE1 PHE A 16 10.576 0.412 36.043 1.00 0.00 C ATOM 1041 CE2 PHE A 16 8.812 -1.198 35.620 1.00 0.00 C ATOM 1042 CZ PHE A 16 9.554 -0.421 36.517 1.00 0.00 C ATOM 0 H PHE A 16 7.945 1.730 32.516 1.00 0.00 H new ATOM 0 HA PHE A 16 10.153 1.879 32.101 1.00 0.00 H new ATOM 0 HB2 PHE A 16 10.069 -1.170 31.810 1.00 0.00 H new ATOM 0 HB3 PHE A 16 11.499 -0.212 32.140 1.00 0.00 H new ATOM 0 HD1 PHE A 16 11.645 1.106 34.307 1.00 0.00 H new ATOM 0 HD2 PHE A 16 8.517 -1.741 33.557 1.00 0.00 H new ATOM 0 HE1 PHE A 16 11.148 1.013 36.735 1.00 0.00 H new ATOM 0 HE2 PHE A 16 8.024 -1.840 35.985 1.00 0.00 H new ATOM 0 HZ PHE A 16 9.339 -0.464 37.574 1.00 0.00 H new ATOM 1052 N THR A 17 9.027 1.031 29.328 1.00 0.00 N ATOM 1053 CA THR A 17 9.311 1.035 27.863 1.00 0.00 C ATOM 1054 C THR A 17 10.271 2.183 27.541 1.00 0.00 C ATOM 1055 O THR A 17 10.011 3.325 27.859 1.00 0.00 O ATOM 1056 CB THR A 17 7.999 1.242 27.090 1.00 0.00 C ATOM 1057 OG1 THR A 17 7.230 0.051 27.128 1.00 0.00 O ATOM 1058 CG2 THR A 17 8.289 1.607 25.631 1.00 0.00 C ATOM 0 H THR A 17 8.041 1.066 29.587 1.00 0.00 H new ATOM 0 HA THR A 17 9.760 0.085 27.574 1.00 0.00 H new ATOM 0 HB THR A 17 7.445 2.056 27.558 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.686 0.039 27.943 1.00 0.00 H new ATOM 0 HG21 THR A 17 7.349 1.750 25.098 1.00 0.00 H new ATOM 0 HG22 THR A 17 8.870 2.528 25.595 1.00 0.00 H new ATOM 0 HG23 THR A 17 8.854 0.803 25.160 1.00 0.00 H new ATOM 1066 N GLN A 18 11.371 1.888 26.897 1.00 0.00 N ATOM 1067 CA GLN A 18 12.344 2.960 26.527 1.00 0.00 C ATOM 1068 C GLN A 18 12.149 3.295 25.050 1.00 0.00 C ATOM 1069 O GLN A 18 12.601 4.313 24.562 1.00 0.00 O ATOM 1070 CB GLN A 18 13.775 2.456 26.746 1.00 0.00 C ATOM 1071 CG GLN A 18 14.766 3.581 26.428 1.00 0.00 C ATOM 1072 CD GLN A 18 16.184 3.136 26.788 1.00 0.00 C ATOM 1073 OE1 GLN A 18 16.373 2.103 27.398 1.00 0.00 O ATOM 1074 NE2 GLN A 18 17.194 3.888 26.448 1.00 0.00 N ATOM 0 H GLN A 18 11.638 0.946 26.610 1.00 0.00 H new ATOM 0 HA GLN A 18 12.179 3.844 27.143 1.00 0.00 H new ATOM 0 HB2 GLN A 18 13.902 2.125 27.777 1.00 0.00 H new ATOM 0 HB3 GLN A 18 13.970 1.594 26.108 1.00 0.00 H new ATOM 0 HG2 GLN A 18 14.713 3.837 25.370 1.00 0.00 H new ATOM 0 HG3 GLN A 18 14.503 4.479 26.987 1.00 0.00 H new ATOM 0 HE21 GLN A 18 17.034 4.755 25.936 1.00 0.00 H new ATOM 0 HE22 GLN A 18 18.144 3.609 26.694 1.00 0.00 H new ATOM 1083 N THR A 19 11.474 2.433 24.334 1.00 0.00 N ATOM 1084 CA THR A 19 11.235 2.668 22.880 1.00 0.00 C ATOM 1085 C THR A 19 9.784 3.092 22.667 1.00 0.00 C ATOM 1086 O THR A 19 8.863 2.398 23.055 1.00 0.00 O ATOM 1087 CB THR A 19 11.492 1.368 22.115 1.00 0.00 C ATOM 1088 OG1 THR A 19 12.727 0.807 22.537 1.00 0.00 O ATOM 1089 CG2 THR A 19 11.551 1.664 20.616 1.00 0.00 C ATOM 0 H THR A 19 11.075 1.568 24.699 1.00 0.00 H new ATOM 0 HA THR A 19 11.903 3.451 22.521 1.00 0.00 H new ATOM 0 HB THR A 19 10.686 0.662 22.315 1.00 0.00 H new ATOM 0 HG1 THR A 19 12.891 -0.027 22.049 1.00 0.00 H new ATOM 0 HG21 THR A 19 11.734 0.739 20.069 1.00 0.00 H new ATOM 0 HG22 THR A 19 10.604 2.095 20.293 1.00 0.00 H new ATOM 0 HG23 THR A 19 12.358 2.369 20.416 1.00 0.00 H new ATOM 1097 N THR A 20 9.566 4.218 22.050 1.00 0.00 N ATOM 1098 CA THR A 20 8.167 4.668 21.814 1.00 0.00 C ATOM 1099 C THR A 20 8.160 5.791 20.767 1.00 0.00 C ATOM 1100 O THR A 20 9.069 6.596 20.720 1.00 0.00 O ATOM 1101 CB THR A 20 7.578 5.195 23.124 1.00 0.00 C ATOM 1102 OG1 THR A 20 6.325 5.812 22.865 1.00 0.00 O ATOM 1103 CG2 THR A 20 8.534 6.217 23.739 1.00 0.00 C ATOM 0 H THR A 20 10.292 4.844 21.700 1.00 0.00 H new ATOM 0 HA THR A 20 7.571 3.830 21.453 1.00 0.00 H new ATOM 0 HB THR A 20 7.438 4.367 23.819 1.00 0.00 H new ATOM 0 HG1 THR A 20 6.351 6.744 23.166 1.00 0.00 H new ATOM 0 HG21 THR A 20 8.114 6.592 24.672 1.00 0.00 H new ATOM 0 HG22 THR A 20 9.495 5.742 23.938 1.00 0.00 H new ATOM 0 HG23 THR A 20 8.676 7.046 23.046 1.00 0.00 H new ATOM 1111 N PRO A 21 7.145 5.860 19.939 1.00 0.00 N ATOM 1112 CA PRO A 21 7.040 6.921 18.893 1.00 0.00 C ATOM 1113 C PRO A 21 6.795 8.307 19.502 1.00 0.00 C ATOM 1114 O PRO A 21 7.043 9.320 18.879 1.00 0.00 O ATOM 1115 CB PRO A 21 5.840 6.476 18.043 1.00 0.00 C ATOM 1116 CG PRO A 21 5.006 5.647 18.963 1.00 0.00 C ATOM 1117 CD PRO A 21 5.990 4.944 19.896 1.00 0.00 C ATOM 0 HA PRO A 21 7.960 7.023 18.318 1.00 0.00 H new ATOM 0 HB2 PRO A 21 5.282 7.334 17.668 1.00 0.00 H new ATOM 0 HB3 PRO A 21 6.162 5.901 17.175 1.00 0.00 H new ATOM 0 HG2 PRO A 21 4.309 6.268 19.526 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.410 4.924 18.406 1.00 0.00 H new ATOM 0 HD2 PRO A 21 5.563 4.791 20.887 1.00 0.00 H new ATOM 0 HD3 PRO A 21 6.271 3.962 19.515 1.00 0.00 H new ATOM 1125 N VAL A 22 6.308 8.361 20.711 1.00 0.00 N ATOM 1126 CA VAL A 22 6.048 9.687 21.341 1.00 0.00 C ATOM 1127 C VAL A 22 5.829 9.520 22.845 1.00 0.00 C ATOM 1128 O VAL A 22 5.354 8.503 23.311 1.00 0.00 O ATOM 1129 CB VAL A 22 4.808 10.323 20.715 1.00 0.00 C ATOM 1130 CG1 VAL A 22 3.605 9.391 20.893 1.00 0.00 C ATOM 1131 CG2 VAL A 22 4.527 11.660 21.403 1.00 0.00 C ATOM 0 H VAL A 22 6.080 7.551 21.287 1.00 0.00 H new ATOM 0 HA VAL A 22 6.911 10.331 21.174 1.00 0.00 H new ATOM 0 HB VAL A 22 4.979 10.487 19.651 1.00 0.00 H new ATOM 0 HG11 VAL A 22 2.722 9.847 20.446 1.00 0.00 H new ATOM 0 HG12 VAL A 22 3.808 8.438 20.405 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.428 9.224 21.956 1.00 0.00 H new ATOM 0 HG21 VAL A 22 3.643 12.118 20.960 1.00 0.00 H new ATOM 0 HG22 VAL A 22 4.355 11.493 22.466 1.00 0.00 H new ATOM 0 HG23 VAL A 22 5.383 12.323 21.274 1.00 0.00 H new ATOM 1141 N TRP A 23 6.181 10.524 23.604 1.00 0.00 N ATOM 1142 CA TRP A 23 6.013 10.458 25.086 1.00 0.00 C ATOM 1143 C TRP A 23 4.736 11.185 25.510 1.00 0.00 C ATOM 1144 O TRP A 23 4.482 12.309 25.123 1.00 0.00 O ATOM 1145 CB TRP A 23 7.235 11.097 25.758 1.00 0.00 C ATOM 1146 CG TRP A 23 8.373 10.127 25.717 1.00 0.00 C ATOM 1147 CD1 TRP A 23 9.437 10.204 24.887 1.00 0.00 C ATOM 1148 CD2 TRP A 23 8.562 8.922 26.514 1.00 0.00 C ATOM 1149 NE1 TRP A 23 10.270 9.126 25.130 1.00 0.00 N ATOM 1150 CE2 TRP A 23 9.772 8.306 26.120 1.00 0.00 C ATOM 1151 CE3 TRP A 23 7.812 8.313 27.531 1.00 0.00 C ATOM 1152 CZ2 TRP A 23 10.220 7.124 26.713 1.00 0.00 C ATOM 1153 CZ3 TRP A 23 8.256 7.125 28.130 1.00 0.00 C ATOM 1154 CH2 TRP A 23 9.456 6.531 27.722 1.00 0.00 C ATOM 0 H TRP A 23 6.582 11.396 23.257 1.00 0.00 H new ATOM 0 HA TRP A 23 5.930 9.416 25.395 1.00 0.00 H new ATOM 0 HB2 TRP A 23 7.508 12.020 25.246 1.00 0.00 H new ATOM 0 HB3 TRP A 23 7.002 11.362 26.789 1.00 0.00 H new ATOM 0 HD1 TRP A 23 9.609 10.979 24.155 1.00 0.00 H new ATOM 0 HE1 TRP A 23 11.147 8.958 24.636 1.00 0.00 H new ATOM 0 HE3 TRP A 23 6.885 8.763 27.855 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 11.148 6.672 26.395 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 7.668 6.666 28.911 1.00 0.00 H new ATOM 0 HH2 TRP A 23 9.791 5.615 28.186 1.00 0.00 H new ATOM 1165 N ARG A 24 3.938 10.543 26.323 1.00 0.00 N ATOM 1166 CA ARG A 24 2.673 11.165 26.815 1.00 0.00 C ATOM 1167 C ARG A 24 2.911 11.673 28.237 1.00 0.00 C ATOM 1168 O ARG A 24 3.919 11.374 28.847 1.00 0.00 O ATOM 1169 CB ARG A 24 1.557 10.110 26.839 1.00 0.00 C ATOM 1170 CG ARG A 24 1.164 9.694 25.413 1.00 0.00 C ATOM 1171 CD ARG A 24 0.176 10.696 24.800 1.00 0.00 C ATOM 1172 NE ARG A 24 0.009 10.397 23.350 1.00 0.00 N ATOM 1173 CZ ARG A 24 -1.008 10.882 22.692 1.00 0.00 C ATOM 1174 NH1 ARG A 24 -1.929 11.565 23.318 1.00 0.00 N ATOM 1175 NH2 ARG A 24 -1.113 10.672 21.409 1.00 0.00 N ATOM 0 H ARG A 24 4.112 9.600 26.672 1.00 0.00 H new ATOM 0 HA ARG A 24 2.379 11.985 26.160 1.00 0.00 H new ATOM 0 HB2 ARG A 24 1.890 9.236 27.398 1.00 0.00 H new ATOM 0 HB3 ARG A 24 0.686 10.508 27.359 1.00 0.00 H new ATOM 0 HG2 ARG A 24 2.056 9.630 24.790 1.00 0.00 H new ATOM 0 HG3 ARG A 24 0.716 8.701 25.431 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -0.786 10.634 25.309 1.00 0.00 H new ATOM 0 HD3 ARG A 24 0.542 11.714 24.934 1.00 0.00 H new ATOM 0 HE ARG A 24 0.692 9.811 22.870 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -1.854 11.720 24.323 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -2.723 11.943 22.801 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -0.401 10.129 20.921 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -1.908 11.051 20.894 1.00 0.00 H new ATOM 1189 N ARG A 25 1.991 12.430 28.773 1.00 0.00 N ATOM 1190 CA ARG A 25 2.150 12.953 30.163 1.00 0.00 C ATOM 1191 C ARG A 25 0.822 12.786 30.902 1.00 0.00 C ATOM 1192 O ARG A 25 -0.220 12.632 30.296 1.00 0.00 O ATOM 1193 CB ARG A 25 2.536 14.435 30.134 1.00 0.00 C ATOM 1194 CG ARG A 25 3.915 14.595 29.490 1.00 0.00 C ATOM 1195 CD ARG A 25 4.415 16.028 29.691 1.00 0.00 C ATOM 1196 NE ARG A 25 5.770 16.173 29.089 1.00 0.00 N ATOM 1197 CZ ARG A 25 6.264 17.361 28.858 1.00 0.00 C ATOM 1198 NH1 ARG A 25 5.567 18.428 29.142 1.00 0.00 N ATOM 1199 NH2 ARG A 25 7.456 17.481 28.343 1.00 0.00 N ATOM 0 H ARG A 25 1.130 12.711 28.305 1.00 0.00 H new ATOM 0 HA ARG A 25 2.939 12.399 30.672 1.00 0.00 H new ATOM 0 HB2 ARG A 25 1.794 15.003 29.573 1.00 0.00 H new ATOM 0 HB3 ARG A 25 2.548 14.838 31.147 1.00 0.00 H new ATOM 0 HG2 ARG A 25 4.618 13.889 29.932 1.00 0.00 H new ATOM 0 HG3 ARG A 25 3.859 14.365 28.426 1.00 0.00 H new ATOM 0 HD2 ARG A 25 3.724 16.733 29.230 1.00 0.00 H new ATOM 0 HD3 ARG A 25 4.451 16.266 30.754 1.00 0.00 H new ATOM 0 HE ARG A 25 6.314 15.342 28.856 1.00 0.00 H new ATOM 0 HH11 ARG A 25 4.635 18.336 29.545 1.00 0.00 H new ATOM 0 HH12 ARG A 25 5.955 19.354 28.961 1.00 0.00 H new ATOM 0 HH21 ARG A 25 8.002 16.648 28.121 1.00 0.00 H new ATOM 0 HH22 ARG A 25 7.843 18.407 28.162 1.00 0.00 H new ATOM 1213 N ASN A 26 0.856 12.809 32.209 1.00 0.00 N ATOM 1214 CA ASN A 26 -0.391 12.648 33.017 1.00 0.00 C ATOM 1215 C ASN A 26 -0.475 13.831 33.992 1.00 0.00 C ATOM 1216 O ASN A 26 0.545 14.304 34.442 1.00 0.00 O ATOM 1217 CB ASN A 26 -0.280 11.333 33.801 1.00 0.00 C ATOM 1218 CG ASN A 26 -1.385 11.240 34.852 1.00 0.00 C ATOM 1219 OD1 ASN A 26 -2.372 10.560 34.652 1.00 0.00 O ATOM 1220 ND2 ASN A 26 -1.263 11.897 35.971 1.00 0.00 N ATOM 0 H ASN A 26 1.706 12.934 32.759 1.00 0.00 H new ATOM 0 HA ASN A 26 -1.279 12.626 32.386 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -0.350 10.488 33.116 1.00 0.00 H new ATOM 0 HB3 ASN A 26 0.695 11.272 34.284 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -1.996 11.840 36.678 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -0.435 12.468 36.139 1.00 0.00 H new ATOM 1227 N PRO A 27 -1.652 14.320 34.320 1.00 0.00 N ATOM 1228 CA PRO A 27 -1.802 15.463 35.275 1.00 0.00 C ATOM 1229 C PRO A 27 -0.876 15.383 36.502 1.00 0.00 C ATOM 1230 O PRO A 27 -0.821 16.303 37.293 1.00 0.00 O ATOM 1231 CB PRO A 27 -3.268 15.374 35.702 1.00 0.00 C ATOM 1232 CG PRO A 27 -3.975 14.814 34.511 1.00 0.00 C ATOM 1233 CD PRO A 27 -2.975 13.879 33.815 1.00 0.00 C ATOM 0 HA PRO A 27 -1.525 16.405 34.802 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -3.389 14.730 36.573 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -3.662 16.354 35.972 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -4.871 14.271 34.811 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -4.295 15.610 33.839 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -3.168 12.835 34.062 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -3.037 13.967 32.730 1.00 0.00 H new ATOM 1241 N GLU A 28 -0.125 14.320 36.659 1.00 0.00 N ATOM 1242 CA GLU A 28 0.815 14.220 37.820 1.00 0.00 C ATOM 1243 C GLU A 28 2.208 14.658 37.357 1.00 0.00 C ATOM 1244 O GLU A 28 3.087 14.928 38.152 1.00 0.00 O ATOM 1245 CB GLU A 28 0.865 12.770 38.325 1.00 0.00 C ATOM 1246 CG GLU A 28 -0.313 12.505 39.268 1.00 0.00 C ATOM 1247 CD GLU A 28 -1.629 12.659 38.504 1.00 0.00 C ATOM 1248 OE1 GLU A 28 -2.011 13.788 38.242 1.00 0.00 O ATOM 1249 OE2 GLU A 28 -2.235 11.645 38.197 1.00 0.00 O ATOM 0 H GLU A 28 -0.122 13.516 36.032 1.00 0.00 H new ATOM 0 HA GLU A 28 0.474 14.861 38.633 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.829 12.081 37.481 1.00 0.00 H new ATOM 0 HB3 GLU A 28 1.806 12.589 38.845 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -0.239 11.501 39.685 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -0.284 13.201 40.106 1.00 0.00 H new ATOM 1256 N GLY A 29 2.407 14.731 36.069 1.00 0.00 N ATOM 1257 CA GLY A 29 3.729 15.152 35.523 1.00 0.00 C ATOM 1258 C GLY A 29 4.659 13.946 35.381 1.00 0.00 C ATOM 1259 O GLY A 29 5.821 14.087 35.056 1.00 0.00 O ATOM 0 H GLY A 29 1.702 14.515 35.364 1.00 0.00 H new ATOM 0 HA2 GLY A 29 3.593 15.630 34.553 1.00 0.00 H new ATOM 0 HA3 GLY A 29 4.182 15.892 36.182 1.00 0.00 H new ATOM 1263 N GLN A 30 4.163 12.760 35.608 1.00 0.00 N ATOM 1264 CA GLN A 30 5.034 11.558 35.465 1.00 0.00 C ATOM 1265 C GLN A 30 5.115 11.187 33.976 1.00 0.00 C ATOM 1266 O GLN A 30 4.129 11.272 33.272 1.00 0.00 O ATOM 1267 CB GLN A 30 4.434 10.387 36.247 1.00 0.00 C ATOM 1268 CG GLN A 30 4.464 10.692 37.747 1.00 0.00 C ATOM 1269 CD GLN A 30 3.962 9.471 38.521 1.00 0.00 C ATOM 1270 OE1 GLN A 30 3.961 8.371 38.007 1.00 0.00 O ATOM 1271 NE2 GLN A 30 3.529 9.619 39.743 1.00 0.00 N ATOM 0 H GLN A 30 3.199 12.572 35.884 1.00 0.00 H new ATOM 0 HA GLN A 30 6.029 11.774 35.855 1.00 0.00 H new ATOM 0 HB2 GLN A 30 3.408 10.210 35.924 1.00 0.00 H new ATOM 0 HB3 GLN A 30 4.995 9.475 36.041 1.00 0.00 H new ATOM 0 HG2 GLN A 30 5.478 10.943 38.059 1.00 0.00 H new ATOM 0 HG3 GLN A 30 3.840 11.558 37.966 1.00 0.00 H new ATOM 0 HE21 GLN A 30 3.529 10.543 40.176 1.00 0.00 H new ATOM 0 HE22 GLN A 30 3.190 8.811 40.265 1.00 0.00 H new ATOM 1280 N PRO A 31 6.262 10.780 33.486 1.00 0.00 N ATOM 1281 CA PRO A 31 6.419 10.403 32.049 1.00 0.00 C ATOM 1282 C PRO A 31 5.759 9.056 31.724 1.00 0.00 C ATOM 1283 O PRO A 31 5.899 8.096 32.453 1.00 0.00 O ATOM 1284 CB PRO A 31 7.940 10.318 31.866 1.00 0.00 C ATOM 1285 CG PRO A 31 8.459 9.950 33.217 1.00 0.00 C ATOM 1286 CD PRO A 31 7.529 10.628 34.225 1.00 0.00 C ATOM 0 HA PRO A 31 5.938 11.120 31.384 1.00 0.00 H new ATOM 0 HB2 PRO A 31 8.209 9.570 31.120 1.00 0.00 H new ATOM 0 HB3 PRO A 31 8.353 11.268 31.527 1.00 0.00 H new ATOM 0 HG2 PRO A 31 8.460 8.869 33.353 1.00 0.00 H new ATOM 0 HG3 PRO A 31 9.487 10.289 33.346 1.00 0.00 H new ATOM 0 HD2 PRO A 31 7.399 10.021 35.121 1.00 0.00 H new ATOM 0 HD3 PRO A 31 7.923 11.592 34.547 1.00 0.00 H new ATOM 1294 N LEU A 32 5.055 8.989 30.623 1.00 0.00 N ATOM 1295 CA LEU A 32 4.386 7.713 30.217 1.00 0.00 C ATOM 1296 C LEU A 32 4.619 7.489 28.723 1.00 0.00 C ATOM 1297 O LEU A 32 4.605 8.419 27.942 1.00 0.00 O ATOM 1298 CB LEU A 32 2.875 7.821 30.452 1.00 0.00 C ATOM 1299 CG LEU A 32 2.562 8.082 31.929 1.00 0.00 C ATOM 1300 CD1 LEU A 32 1.059 8.329 32.068 1.00 0.00 C ATOM 1301 CD2 LEU A 32 2.952 6.870 32.783 1.00 0.00 C ATOM 0 H LEU A 32 4.913 9.769 29.982 1.00 0.00 H new ATOM 0 HA LEU A 32 4.795 6.890 30.803 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.466 8.627 29.843 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.388 6.900 30.131 1.00 0.00 H new ATOM 0 HG LEU A 32 3.129 8.948 32.271 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.816 8.517 33.114 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.775 9.194 31.469 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.513 7.452 31.721 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.723 7.073 33.829 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.391 5.996 32.452 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.020 6.678 32.676 1.00 0.00 H new ATOM 1313 N CYS A 33 4.803 6.264 28.305 1.00 0.00 N ATOM 1314 CA CYS A 33 5.008 6.004 26.853 1.00 0.00 C ATOM 1315 C CYS A 33 3.670 6.181 26.128 1.00 0.00 C ATOM 1316 O CYS A 33 2.691 6.588 26.721 1.00 0.00 O ATOM 1317 CB CYS A 33 5.573 4.594 26.647 1.00 0.00 C ATOM 1318 SG CYS A 33 4.310 3.345 26.989 1.00 0.00 S ATOM 0 H CYS A 33 4.820 5.438 28.903 1.00 0.00 H new ATOM 0 HA CYS A 33 5.729 6.710 26.441 1.00 0.00 H new ATOM 0 HB2 CYS A 33 5.931 4.486 25.623 1.00 0.00 H new ATOM 0 HB3 CYS A 33 6.430 4.441 27.302 1.00 0.00 H new ATOM 0 HG CYS A 33 4.803 2.433 27.773 1.00 0.00 H new ATOM 1323 N ASN A 34 3.615 5.912 24.852 1.00 0.00 N ATOM 1324 CA ASN A 34 2.333 6.109 24.114 1.00 0.00 C ATOM 1325 C ASN A 34 1.266 5.085 24.529 1.00 0.00 C ATOM 1326 O ASN A 34 0.121 5.437 24.736 1.00 0.00 O ATOM 1327 CB ASN A 34 2.584 6.001 22.607 1.00 0.00 C ATOM 1328 CG ASN A 34 3.229 4.653 22.265 1.00 0.00 C ATOM 1329 OD1 ASN A 34 3.200 4.229 21.126 1.00 0.00 O ATOM 1330 ND2 ASN A 34 3.813 3.956 23.200 1.00 0.00 N ATOM 0 H ASN A 34 4.395 5.567 24.292 1.00 0.00 H new ATOM 0 HA ASN A 34 1.958 7.101 24.364 1.00 0.00 H new ATOM 0 HB2 ASN A 34 1.643 6.108 22.067 1.00 0.00 H new ATOM 0 HB3 ASN A 34 3.233 6.814 22.281 1.00 0.00 H new ATOM 0 HD21 ASN A 34 4.243 3.059 22.974 1.00 0.00 H new ATOM 0 HD22 ASN A 34 3.840 4.308 24.157 1.00 0.00 H new ATOM 1337 N ALA A 35 1.599 3.827 24.624 1.00 0.00 N ATOM 1338 CA ALA A 35 0.562 2.817 24.992 1.00 0.00 C ATOM 1339 C ALA A 35 -0.001 3.073 26.398 1.00 0.00 C ATOM 1340 O ALA A 35 -1.200 3.121 26.587 1.00 0.00 O ATOM 1341 CB ALA A 35 1.166 1.414 24.923 1.00 0.00 C ATOM 0 H ALA A 35 2.535 3.455 24.465 1.00 0.00 H new ATOM 0 HA ALA A 35 -0.261 2.902 24.282 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.408 0.678 25.192 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.518 1.219 23.910 1.00 0.00 H new ATOM 0 HB3 ALA A 35 2.003 1.344 25.618 1.00 0.00 H new ATOM 1347 N CYS A 36 0.838 3.223 27.391 1.00 0.00 N ATOM 1348 CA CYS A 36 0.311 3.452 28.771 1.00 0.00 C ATOM 1349 C CYS A 36 -0.608 4.673 28.779 1.00 0.00 C ATOM 1350 O CYS A 36 -1.629 4.689 29.432 1.00 0.00 O ATOM 1351 CB CYS A 36 1.461 3.728 29.747 1.00 0.00 C ATOM 1352 SG CYS A 36 2.441 2.231 30.016 1.00 0.00 S ATOM 0 H CYS A 36 1.854 3.197 27.309 1.00 0.00 H new ATOM 0 HA CYS A 36 -0.232 2.557 29.076 1.00 0.00 H new ATOM 0 HB2 CYS A 36 2.098 4.520 29.353 1.00 0.00 H new ATOM 0 HB3 CYS A 36 1.062 4.083 30.697 1.00 0.00 H new ATOM 0 HG CYS A 36 3.685 2.555 30.206 1.00 0.00 H new ATOM 1357 N GLY A 37 -0.245 5.702 28.069 1.00 0.00 N ATOM 1358 CA GLY A 37 -1.087 6.930 28.055 1.00 0.00 C ATOM 1359 C GLY A 37 -2.428 6.662 27.372 1.00 0.00 C ATOM 1360 O GLY A 37 -3.475 7.009 27.882 1.00 0.00 O ATOM 0 H GLY A 37 0.598 5.747 27.497 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.256 7.272 29.076 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.562 7.730 27.534 1.00 0.00 H new ATOM 1364 N LEU A 38 -2.410 6.068 26.214 1.00 0.00 N ATOM 1365 CA LEU A 38 -3.683 5.804 25.491 1.00 0.00 C ATOM 1366 C LEU A 38 -4.550 4.797 26.252 1.00 0.00 C ATOM 1367 O LEU A 38 -5.729 5.010 26.451 1.00 0.00 O ATOM 1368 CB LEU A 38 -3.347 5.239 24.111 1.00 0.00 C ATOM 1369 CG LEU A 38 -2.557 6.278 23.308 1.00 0.00 C ATOM 1370 CD1 LEU A 38 -1.951 5.604 22.077 1.00 0.00 C ATOM 1371 CD2 LEU A 38 -3.476 7.432 22.868 1.00 0.00 C ATOM 0 H LEU A 38 -1.566 5.753 25.735 1.00 0.00 H new ATOM 0 HA LEU A 38 -4.242 6.736 25.403 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.764 4.324 24.214 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.263 4.975 23.582 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.765 6.687 23.935 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.387 6.338 21.501 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -1.285 4.801 22.393 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.748 5.192 21.458 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.898 8.160 22.299 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -4.280 7.040 22.245 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.902 7.914 23.748 1.00 0.00 H new ATOM 1383 N PHE A 39 -3.992 3.690 26.657 1.00 0.00 N ATOM 1384 CA PHE A 39 -4.814 2.672 27.370 1.00 0.00 C ATOM 1385 C PHE A 39 -5.216 3.163 28.764 1.00 0.00 C ATOM 1386 O PHE A 39 -6.361 3.070 29.157 1.00 0.00 O ATOM 1387 CB PHE A 39 -4.016 1.376 27.522 1.00 0.00 C ATOM 1388 CG PHE A 39 -4.960 0.281 27.955 1.00 0.00 C ATOM 1389 CD1 PHE A 39 -5.357 0.187 29.293 1.00 0.00 C ATOM 1390 CD2 PHE A 39 -5.453 -0.627 27.012 1.00 0.00 C ATOM 1391 CE1 PHE A 39 -6.247 -0.816 29.688 1.00 0.00 C ATOM 1392 CE2 PHE A 39 -6.343 -1.631 27.407 1.00 0.00 C ATOM 1393 CZ PHE A 39 -6.742 -1.726 28.744 1.00 0.00 C ATOM 0 H PHE A 39 -3.010 3.447 26.527 1.00 0.00 H new ATOM 0 HA PHE A 39 -5.714 2.498 26.780 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -3.538 1.113 26.579 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -3.222 1.504 28.257 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -4.976 0.889 30.020 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -5.146 -0.553 25.979 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -6.553 -0.890 30.721 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -6.722 -2.333 26.679 1.00 0.00 H new ATOM 0 HZ PHE A 39 -7.431 -2.500 29.049 1.00 0.00 H new ATOM 1403 N LEU A 40 -4.273 3.644 29.527 1.00 0.00 N ATOM 1404 CA LEU A 40 -4.587 4.096 30.914 1.00 0.00 C ATOM 1405 C LEU A 40 -5.626 5.221 30.893 1.00 0.00 C ATOM 1406 O LEU A 40 -6.609 5.176 31.604 1.00 0.00 O ATOM 1407 CB LEU A 40 -3.300 4.604 31.570 1.00 0.00 C ATOM 1408 CG LEU A 40 -3.517 4.853 33.070 1.00 0.00 C ATOM 1409 CD1 LEU A 40 -3.524 3.524 33.841 1.00 0.00 C ATOM 1410 CD2 LEU A 40 -2.383 5.737 33.598 1.00 0.00 C ATOM 0 H LEU A 40 -3.296 3.744 29.250 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.996 3.258 31.479 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.502 3.875 31.429 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.979 5.526 31.086 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.478 5.346 33.213 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.679 3.720 34.902 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.329 2.891 33.468 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.569 3.017 33.701 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.529 5.919 34.663 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.428 5.235 33.443 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.384 6.687 33.064 1.00 0.00 H new ATOM 1422 N LYS A 41 -5.420 6.235 30.099 1.00 0.00 N ATOM 1423 CA LYS A 41 -6.408 7.351 30.065 1.00 0.00 C ATOM 1424 C LYS A 41 -7.757 6.841 29.554 1.00 0.00 C ATOM 1425 O LYS A 41 -8.800 7.215 30.053 1.00 0.00 O ATOM 1426 CB LYS A 41 -5.905 8.463 29.143 1.00 0.00 C ATOM 1427 CG LYS A 41 -6.869 9.652 29.211 1.00 0.00 C ATOM 1428 CD LYS A 41 -6.382 10.773 28.285 1.00 0.00 C ATOM 1429 CE LYS A 41 -5.143 11.467 28.870 1.00 0.00 C ATOM 1430 NZ LYS A 41 -3.920 10.718 28.470 1.00 0.00 N ATOM 0 H LYS A 41 -4.618 6.340 29.477 1.00 0.00 H new ATOM 0 HA LYS A 41 -6.529 7.743 31.075 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.904 8.774 29.442 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -5.832 8.097 28.119 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -7.871 9.336 28.919 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -6.937 10.018 30.235 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -6.144 10.362 27.304 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -7.179 11.503 28.141 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -5.086 12.495 28.513 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -5.217 11.511 29.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -3.523 10.232 29.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -4.165 10.016 27.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -3.216 11.381 28.088 1.00 0.00 H new ATOM 1444 N LEU A 42 -7.748 6.005 28.554 1.00 0.00 N ATOM 1445 CA LEU A 42 -9.037 5.497 28.006 1.00 0.00 C ATOM 1446 C LEU A 42 -9.707 4.556 29.010 1.00 0.00 C ATOM 1447 O LEU A 42 -10.912 4.572 29.166 1.00 0.00 O ATOM 1448 CB LEU A 42 -8.786 4.757 26.683 1.00 0.00 C ATOM 1449 CG LEU A 42 -8.381 5.747 25.578 1.00 0.00 C ATOM 1450 CD1 LEU A 42 -7.898 4.965 24.352 1.00 0.00 C ATOM 1451 CD2 LEU A 42 -9.579 6.624 25.172 1.00 0.00 C ATOM 0 H LEU A 42 -6.909 5.653 28.094 1.00 0.00 H new ATOM 0 HA LEU A 42 -9.699 6.344 27.824 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -8.000 4.014 26.819 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -9.686 4.219 26.385 1.00 0.00 H new ATOM 0 HG LEU A 42 -7.585 6.388 25.957 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -7.610 5.663 23.566 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -7.039 4.352 24.626 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -8.701 4.323 23.991 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -9.273 7.318 24.389 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -10.384 5.990 24.801 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -9.929 7.185 26.038 1.00 0.00 H new ATOM 1463 N HIS A 43 -8.959 3.719 29.676 1.00 0.00 N ATOM 1464 CA HIS A 43 -9.589 2.768 30.642 1.00 0.00 C ATOM 1465 C HIS A 43 -9.729 3.393 32.034 1.00 0.00 C ATOM 1466 O HIS A 43 -10.706 3.163 32.718 1.00 0.00 O ATOM 1467 CB HIS A 43 -8.735 1.503 30.728 1.00 0.00 C ATOM 1468 CG HIS A 43 -8.864 0.741 29.439 1.00 0.00 C ATOM 1469 ND1 HIS A 43 -8.202 1.127 28.285 1.00 0.00 N ATOM 1470 CD2 HIS A 43 -9.595 -0.371 29.101 1.00 0.00 C ATOM 1471 CE1 HIS A 43 -8.546 0.262 27.313 1.00 0.00 C ATOM 1472 NE2 HIS A 43 -9.393 -0.671 27.757 1.00 0.00 N ATOM 0 H HIS A 43 -7.944 3.651 29.595 1.00 0.00 H new ATOM 0 HA HIS A 43 -10.589 2.524 30.284 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -7.692 1.764 30.909 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -9.059 0.885 31.565 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -7.570 1.921 28.189 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -10.230 -0.928 29.775 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -8.182 0.316 26.298 1.00 0.00 H new ATOM 1480 N GLY A 44 -8.784 4.179 32.473 1.00 0.00 N ATOM 1481 CA GLY A 44 -8.911 4.797 33.824 1.00 0.00 C ATOM 1482 C GLY A 44 -8.714 3.745 34.918 1.00 0.00 C ATOM 1483 O GLY A 44 -8.962 4.004 36.080 1.00 0.00 O ATOM 0 H GLY A 44 -7.936 4.419 31.960 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -8.172 5.591 33.938 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -9.893 5.258 33.928 1.00 0.00 H new ATOM 1487 N VAL A 45 -8.281 2.560 34.570 1.00 0.00 N ATOM 1488 CA VAL A 45 -8.082 1.504 35.610 1.00 0.00 C ATOM 1489 C VAL A 45 -6.835 0.678 35.301 1.00 0.00 C ATOM 1490 O VAL A 45 -6.526 0.389 34.162 1.00 0.00 O ATOM 1491 CB VAL A 45 -9.302 0.583 35.648 1.00 0.00 C ATOM 1492 CG1 VAL A 45 -10.493 1.353 36.217 1.00 0.00 C ATOM 1493 CG2 VAL A 45 -9.638 0.105 34.233 1.00 0.00 C ATOM 0 H VAL A 45 -8.057 2.278 33.616 1.00 0.00 H new ATOM 0 HA VAL A 45 -7.955 1.989 36.578 1.00 0.00 H new ATOM 0 HB VAL A 45 -9.083 -0.281 36.276 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -11.367 0.702 36.247 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -10.259 1.692 37.226 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -10.705 2.215 35.585 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -10.508 -0.551 34.267 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -9.857 0.965 33.601 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -8.789 -0.441 33.822 1.00 0.00 H new ATOM 1503 N VAL A 46 -6.118 0.294 36.320 1.00 0.00 N ATOM 1504 CA VAL A 46 -4.893 -0.518 36.104 1.00 0.00 C ATOM 1505 C VAL A 46 -5.246 -1.773 35.308 1.00 0.00 C ATOM 1506 O VAL A 46 -6.286 -2.374 35.491 1.00 0.00 O ATOM 1507 CB VAL A 46 -4.293 -0.920 37.449 1.00 0.00 C ATOM 1508 CG1 VAL A 46 -3.698 0.314 38.130 1.00 0.00 C ATOM 1509 CG2 VAL A 46 -5.388 -1.515 38.335 1.00 0.00 C ATOM 0 H VAL A 46 -6.330 0.509 37.294 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.165 0.073 35.549 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.509 -1.661 37.293 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -3.269 0.028 39.091 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -2.919 0.739 37.497 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.481 1.055 38.288 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -4.962 -1.803 39.296 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -6.171 -0.774 38.493 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -5.812 -2.393 37.849 1.00 0.00 H new ATOM 1519 N ARG A 47 -4.376 -2.160 34.422 1.00 0.00 N ATOM 1520 CA ARG A 47 -4.611 -3.369 33.582 1.00 0.00 C ATOM 1521 C ARG A 47 -3.268 -4.105 33.477 1.00 0.00 C ATOM 1522 O ARG A 47 -2.243 -3.472 33.316 1.00 0.00 O ATOM 1523 CB ARG A 47 -5.101 -2.884 32.208 1.00 0.00 C ATOM 1524 CG ARG A 47 -5.252 -4.038 31.204 1.00 0.00 C ATOM 1525 CD ARG A 47 -6.611 -4.728 31.380 1.00 0.00 C ATOM 1526 NE ARG A 47 -6.516 -6.121 30.863 1.00 0.00 N ATOM 1527 CZ ARG A 47 -7.464 -6.978 31.118 1.00 0.00 C ATOM 1528 NH1 ARG A 47 -8.505 -6.610 31.813 1.00 0.00 N ATOM 1529 NH2 ARG A 47 -7.374 -8.202 30.674 1.00 0.00 N ATOM 0 H ARG A 47 -3.494 -1.682 34.239 1.00 0.00 H new ATOM 0 HA ARG A 47 -5.357 -4.045 33.999 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -6.059 -2.378 32.324 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -4.399 -2.150 31.812 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -5.160 -3.657 30.187 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -4.449 -4.761 31.348 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -6.897 -4.735 32.432 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -7.385 -4.179 30.843 1.00 0.00 H new ATOM 0 HE ARG A 47 -5.708 -6.405 30.309 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -8.576 -5.652 32.156 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -9.248 -7.280 32.013 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -6.562 -8.488 30.127 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -8.116 -8.873 30.874 1.00 0.00 H new ATOM 1543 N PRO A 48 -3.245 -5.414 33.590 1.00 0.00 N ATOM 1544 CA PRO A 48 -1.980 -6.196 33.529 1.00 0.00 C ATOM 1545 C PRO A 48 -0.932 -5.590 32.593 1.00 0.00 C ATOM 1546 O PRO A 48 -1.015 -5.708 31.388 1.00 0.00 O ATOM 1547 CB PRO A 48 -2.455 -7.548 33.014 1.00 0.00 C ATOM 1548 CG PRO A 48 -3.790 -7.726 33.662 1.00 0.00 C ATOM 1549 CD PRO A 48 -4.399 -6.317 33.787 1.00 0.00 C ATOM 0 HA PRO A 48 -1.474 -6.232 34.494 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -2.533 -7.557 31.927 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -1.766 -8.346 33.291 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -4.430 -8.375 33.064 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -3.688 -8.194 34.641 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -5.172 -6.148 33.037 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -4.862 -6.167 34.762 1.00 0.00 H new ATOM 1557 N LEU A 49 0.070 -4.968 33.148 1.00 0.00 N ATOM 1558 CA LEU A 49 1.138 -4.387 32.291 1.00 0.00 C ATOM 1559 C LEU A 49 1.732 -5.524 31.460 1.00 0.00 C ATOM 1560 O LEU A 49 2.517 -5.314 30.557 1.00 0.00 O ATOM 1561 CB LEU A 49 2.223 -3.747 33.164 1.00 0.00 C ATOM 1562 CG LEU A 49 1.630 -2.595 33.987 1.00 0.00 C ATOM 1563 CD1 LEU A 49 2.666 -2.137 35.015 1.00 0.00 C ATOM 1564 CD2 LEU A 49 1.262 -1.414 33.075 1.00 0.00 C ATOM 0 H LEU A 49 0.195 -4.838 34.152 1.00 0.00 H new ATOM 0 HA LEU A 49 0.729 -3.613 31.641 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.653 -4.495 33.830 1.00 0.00 H new ATOM 0 HB3 LEU A 49 3.033 -3.376 32.536 1.00 0.00 H new ATOM 0 HG LEU A 49 0.727 -2.943 34.488 1.00 0.00 H new ATOM 0 HD11 LEU A 49 2.255 -1.318 35.606 1.00 0.00 H new ATOM 0 HD12 LEU A 49 2.918 -2.969 35.673 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.564 -1.797 34.500 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.843 -0.607 33.676 1.00 0.00 H new ATOM 0 HD22 LEU A 49 2.156 -1.058 32.562 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.526 -1.738 32.339 1.00 0.00 H new ATOM 1576 N SER A 50 1.350 -6.734 31.772 1.00 0.00 N ATOM 1577 CA SER A 50 1.873 -7.910 31.021 1.00 0.00 C ATOM 1578 C SER A 50 1.546 -7.742 29.537 1.00 0.00 C ATOM 1579 O SER A 50 2.031 -8.473 28.696 1.00 0.00 O ATOM 1580 CB SER A 50 1.211 -9.185 31.552 1.00 0.00 C ATOM 1581 OG SER A 50 1.622 -10.291 30.760 1.00 0.00 O ATOM 0 H SER A 50 0.694 -6.958 32.520 1.00 0.00 H new ATOM 0 HA SER A 50 2.953 -7.982 31.151 1.00 0.00 H new ATOM 0 HB2 SER A 50 1.488 -9.346 32.594 1.00 0.00 H new ATOM 0 HB3 SER A 50 0.126 -9.085 31.523 1.00 0.00 H new ATOM 0 HG SER A 50 1.896 -9.975 29.874 1.00 0.00 H new ATOM 1587 N LEU A 51 0.737 -6.772 29.206 1.00 0.00 N ATOM 1588 CA LEU A 51 0.393 -6.542 27.774 1.00 0.00 C ATOM 1589 C LEU A 51 1.594 -5.898 27.081 1.00 0.00 C ATOM 1590 O LEU A 51 1.919 -6.205 25.951 1.00 0.00 O ATOM 1591 CB LEU A 51 -0.781 -5.567 27.677 1.00 0.00 C ATOM 1592 CG LEU A 51 -2.011 -6.129 28.396 1.00 0.00 C ATOM 1593 CD1 LEU A 51 -2.984 -4.984 28.679 1.00 0.00 C ATOM 1594 CD2 LEU A 51 -2.712 -7.174 27.519 1.00 0.00 C ATOM 0 H LEU A 51 0.299 -6.129 29.866 1.00 0.00 H new ATOM 0 HA LEU A 51 0.132 -7.492 27.308 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.502 -4.609 28.117 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.019 -5.380 26.630 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.696 -6.601 29.326 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -3.864 -5.373 29.191 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.497 -4.240 29.309 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.286 -4.522 27.739 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.584 -7.564 28.044 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -3.028 -6.711 26.584 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.023 -7.991 27.305 1.00 0.00 H new ATOM 1606 N LYS A 52 2.243 -4.990 27.758 1.00 0.00 N ATOM 1607 CA LYS A 52 3.421 -4.289 27.170 1.00 0.00 C ATOM 1608 C LYS A 52 4.441 -5.301 26.640 1.00 0.00 C ATOM 1609 O LYS A 52 4.513 -6.426 27.090 1.00 0.00 O ATOM 1610 CB LYS A 52 4.057 -3.409 28.257 1.00 0.00 C ATOM 1611 CG LYS A 52 5.339 -2.719 27.740 1.00 0.00 C ATOM 1612 CD LYS A 52 6.587 -3.477 28.216 1.00 0.00 C ATOM 1613 CE LYS A 52 7.844 -2.708 27.809 1.00 0.00 C ATOM 1614 NZ LYS A 52 9.046 -3.540 28.099 1.00 0.00 N ATOM 0 H LYS A 52 2.004 -4.700 28.706 1.00 0.00 H new ATOM 0 HA LYS A 52 3.099 -3.670 26.332 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.341 -2.654 28.582 1.00 0.00 H new ATOM 0 HB3 LYS A 52 4.296 -4.019 29.128 1.00 0.00 H new ATOM 0 HG2 LYS A 52 5.324 -2.679 26.651 1.00 0.00 H new ATOM 0 HG3 LYS A 52 5.374 -1.689 28.096 1.00 0.00 H new ATOM 0 HD2 LYS A 52 6.559 -3.600 29.299 1.00 0.00 H new ATOM 0 HD3 LYS A 52 6.604 -4.477 27.782 1.00 0.00 H new ATOM 0 HE2 LYS A 52 7.806 -2.461 26.748 1.00 0.00 H new ATOM 0 HE3 LYS A 52 7.900 -1.765 28.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 9.618 -3.079 28.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 8.746 -4.479 28.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 9.614 -3.643 27.234 1.00 0.00 H new ATOM 1628 N THR A 53 5.253 -4.886 25.702 1.00 0.00 N ATOM 1629 CA THR A 53 6.306 -5.785 25.145 1.00 0.00 C ATOM 1630 C THR A 53 7.488 -4.934 24.673 1.00 0.00 C ATOM 1631 O THR A 53 7.427 -3.720 24.669 1.00 0.00 O ATOM 1632 CB THR A 53 5.752 -6.590 23.969 1.00 0.00 C ATOM 1633 OG1 THR A 53 6.830 -7.212 23.284 1.00 0.00 O ATOM 1634 CG2 THR A 53 4.992 -5.667 23.016 1.00 0.00 C ATOM 0 H THR A 53 5.230 -3.951 25.294 1.00 0.00 H new ATOM 0 HA THR A 53 6.631 -6.480 25.919 1.00 0.00 H new ATOM 0 HB THR A 53 5.066 -7.352 24.339 1.00 0.00 H new ATOM 0 HG1 THR A 53 6.570 -8.119 23.020 1.00 0.00 H new ATOM 0 HG21 THR A 53 4.601 -6.248 22.181 1.00 0.00 H new ATOM 0 HG22 THR A 53 4.166 -5.195 23.548 1.00 0.00 H new ATOM 0 HG23 THR A 53 5.667 -4.899 22.638 1.00 0.00 H new ATOM 1642 N ASP A 54 8.569 -5.555 24.289 1.00 0.00 N ATOM 1643 CA ASP A 54 9.765 -4.782 23.834 1.00 0.00 C ATOM 1644 C ASP A 54 9.729 -4.618 22.312 1.00 0.00 C ATOM 1645 O ASP A 54 10.622 -4.041 21.723 1.00 0.00 O ATOM 1646 CB ASP A 54 11.030 -5.548 24.223 1.00 0.00 C ATOM 1647 CG ASP A 54 11.206 -5.507 25.742 1.00 0.00 C ATOM 1648 OD1 ASP A 54 10.638 -4.623 26.360 1.00 0.00 O ATOM 1649 OD2 ASP A 54 11.908 -6.360 26.259 1.00 0.00 O ATOM 0 H ASP A 54 8.678 -6.569 24.270 1.00 0.00 H new ATOM 0 HA ASP A 54 9.761 -3.799 24.304 1.00 0.00 H new ATOM 0 HB2 ASP A 54 10.961 -6.581 23.882 1.00 0.00 H new ATOM 0 HB3 ASP A 54 11.899 -5.108 23.734 1.00 0.00 H new ATOM 1654 N VAL A 55 8.703 -5.121 21.675 1.00 0.00 N ATOM 1655 CA VAL A 55 8.587 -5.007 20.189 1.00 0.00 C ATOM 1656 C VAL A 55 7.348 -4.175 19.848 1.00 0.00 C ATOM 1657 O VAL A 55 6.279 -4.397 20.381 1.00 0.00 O ATOM 1658 CB VAL A 55 8.445 -6.409 19.592 1.00 0.00 C ATOM 1659 CG1 VAL A 55 7.098 -7.026 20.003 1.00 0.00 C ATOM 1660 CG2 VAL A 55 8.531 -6.318 18.066 1.00 0.00 C ATOM 0 H VAL A 55 7.931 -5.612 22.126 1.00 0.00 H new ATOM 0 HA VAL A 55 9.474 -4.524 19.779 1.00 0.00 H new ATOM 0 HB VAL A 55 9.248 -7.043 19.967 1.00 0.00 H new ATOM 0 HG11 VAL A 55 7.008 -8.023 19.572 1.00 0.00 H new ATOM 0 HG12 VAL A 55 7.045 -7.094 21.090 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.284 -6.399 19.639 1.00 0.00 H new ATOM 0 HG21 VAL A 55 8.430 -7.314 17.636 1.00 0.00 H new ATOM 0 HG22 VAL A 55 7.730 -5.680 17.694 1.00 0.00 H new ATOM 0 HG23 VAL A 55 9.494 -5.895 17.780 1.00 0.00 H new ATOM 1670 N ILE A 56 7.482 -3.229 18.954 1.00 0.00 N ATOM 1671 CA ILE A 56 6.315 -2.381 18.562 1.00 0.00 C ATOM 1672 C ILE A 56 5.857 -2.785 17.161 1.00 0.00 C ATOM 1673 O ILE A 56 6.659 -3.019 16.278 1.00 0.00 O ATOM 1674 CB ILE A 56 6.716 -0.904 18.557 1.00 0.00 C ATOM 1675 CG1 ILE A 56 7.182 -0.507 19.959 1.00 0.00 C ATOM 1676 CG2 ILE A 56 5.499 -0.058 18.174 1.00 0.00 C ATOM 1677 CD1 ILE A 56 7.806 0.889 19.919 1.00 0.00 C ATOM 0 H ILE A 56 8.355 -3.006 18.476 1.00 0.00 H new ATOM 0 HA ILE A 56 5.506 -2.526 19.278 1.00 0.00 H new ATOM 0 HB ILE A 56 7.521 -0.740 17.841 1.00 0.00 H new ATOM 0 HG12 ILE A 56 6.339 -0.519 20.650 1.00 0.00 H new ATOM 0 HG13 ILE A 56 7.909 -1.230 20.330 1.00 0.00 H new ATOM 0 HG21 ILE A 56 5.776 0.996 18.168 1.00 0.00 H new ATOM 0 HG22 ILE A 56 5.152 -0.348 17.182 1.00 0.00 H new ATOM 0 HG23 ILE A 56 4.701 -0.219 18.899 1.00 0.00 H new ATOM 0 HD11 ILE A 56 8.137 1.168 20.919 1.00 0.00 H new ATOM 0 HD12 ILE A 56 8.660 0.886 19.242 1.00 0.00 H new ATOM 0 HD13 ILE A 56 7.066 1.608 19.567 1.00 0.00 H new ATOM 1689 N LYS A 57 4.574 -2.873 16.953 1.00 0.00 N ATOM 1690 CA LYS A 57 4.068 -3.268 15.612 1.00 0.00 C ATOM 1691 C LYS A 57 4.123 -2.055 14.685 1.00 0.00 C ATOM 1692 O LYS A 57 3.510 -1.038 14.943 1.00 0.00 O ATOM 1693 CB LYS A 57 2.618 -3.737 15.746 1.00 0.00 C ATOM 1694 CG LYS A 57 2.128 -4.285 14.405 1.00 0.00 C ATOM 1695 CD LYS A 57 0.678 -4.752 14.544 1.00 0.00 C ATOM 1696 CE LYS A 57 0.218 -5.380 13.227 1.00 0.00 C ATOM 1697 NZ LYS A 57 -1.158 -5.924 13.391 1.00 0.00 N ATOM 0 H LYS A 57 3.855 -2.689 17.653 1.00 0.00 H new ATOM 0 HA LYS A 57 4.679 -4.073 15.203 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.544 -4.507 16.514 1.00 0.00 H new ATOM 0 HB3 LYS A 57 1.985 -2.908 16.064 1.00 0.00 H new ATOM 0 HG2 LYS A 57 2.201 -3.515 13.637 1.00 0.00 H new ATOM 0 HG3 LYS A 57 2.759 -5.114 14.086 1.00 0.00 H new ATOM 0 HD2 LYS A 57 0.594 -5.476 15.354 1.00 0.00 H new ATOM 0 HD3 LYS A 57 0.036 -3.910 14.802 1.00 0.00 H new ATOM 0 HE2 LYS A 57 0.234 -4.635 12.431 1.00 0.00 H new ATOM 0 HE3 LYS A 57 0.902 -6.176 12.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -1.471 -6.351 12.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -1.159 -6.647 14.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -1.807 -5.154 13.653 1.00 0.00 H new ATOM 1711 N LYS A 58 4.848 -2.150 13.604 1.00 0.00 N ATOM 1712 CA LYS A 58 4.933 -0.995 12.668 1.00 0.00 C ATOM 1713 C LYS A 58 3.714 -1.025 11.746 1.00 0.00 C ATOM 1714 O LYS A 58 3.499 -1.976 11.019 1.00 0.00 O ATOM 1715 CB LYS A 58 6.217 -1.104 11.839 1.00 0.00 C ATOM 1716 CG LYS A 58 7.422 -0.847 12.748 1.00 0.00 C ATOM 1717 CD LYS A 58 8.724 -1.160 12.001 1.00 0.00 C ATOM 1718 CE LYS A 58 8.874 -0.240 10.786 1.00 0.00 C ATOM 1719 NZ LYS A 58 8.094 -0.794 9.643 1.00 0.00 N ATOM 0 H LYS A 58 5.383 -2.974 13.330 1.00 0.00 H new ATOM 0 HA LYS A 58 4.951 -0.058 13.225 1.00 0.00 H new ATOM 0 HB2 LYS A 58 6.291 -2.093 11.388 1.00 0.00 H new ATOM 0 HB3 LYS A 58 6.200 -0.382 11.023 1.00 0.00 H new ATOM 0 HG2 LYS A 58 7.424 0.192 13.077 1.00 0.00 H new ATOM 0 HG3 LYS A 58 7.350 -1.465 13.643 1.00 0.00 H new ATOM 0 HD2 LYS A 58 9.575 -1.032 12.670 1.00 0.00 H new ATOM 0 HD3 LYS A 58 8.725 -2.201 11.679 1.00 0.00 H new ATOM 0 HE2 LYS A 58 8.521 0.762 11.029 1.00 0.00 H new ATOM 0 HE3 LYS A 58 9.925 -0.150 10.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 8.719 -0.908 8.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 7.698 -1.718 9.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 7.320 -0.142 9.403 1.00 0.00 H new ATOM 1733 N ARG A 59 2.904 -0.001 11.783 1.00 0.00 N ATOM 1734 CA ARG A 59 1.683 0.029 10.925 1.00 0.00 C ATOM 1735 C ARG A 59 1.965 0.865 9.678 1.00 0.00 C ATOM 1736 O ARG A 59 3.062 1.345 9.472 1.00 0.00 O ATOM 1737 CB ARG A 59 0.519 0.646 11.710 1.00 0.00 C ATOM 1738 CG ARG A 59 0.258 -0.147 13.000 1.00 0.00 C ATOM 1739 CD ARG A 59 -0.338 -1.529 12.691 1.00 0.00 C ATOM 1740 NE ARG A 59 -1.478 -1.403 11.728 1.00 0.00 N ATOM 1741 CZ ARG A 59 -2.529 -0.678 11.997 1.00 0.00 C ATOM 1742 NH1 ARG A 59 -2.683 -0.149 13.179 1.00 0.00 N ATOM 1743 NH2 ARG A 59 -3.459 -0.526 11.093 1.00 0.00 N ATOM 0 H ARG A 59 3.036 0.820 12.373 1.00 0.00 H new ATOM 0 HA ARG A 59 1.417 -0.986 10.630 1.00 0.00 H new ATOM 0 HB2 ARG A 59 0.747 1.684 11.954 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -0.380 0.654 11.093 1.00 0.00 H new ATOM 0 HG2 ARG A 59 1.190 -0.265 13.552 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -0.424 0.411 13.641 1.00 0.00 H new ATOM 0 HD2 ARG A 59 0.431 -2.178 12.271 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -0.683 -1.998 13.613 1.00 0.00 H new ATOM 0 HE ARG A 59 -1.432 -1.898 10.837 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -1.979 -0.301 13.901 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -3.507 0.416 13.381 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -3.362 -0.973 10.181 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -4.282 0.040 11.299 1.00 0.00 H new ATOM 1757 N ASN A 60 0.992 1.003 8.825 1.00 0.00 N ATOM 1758 CA ASN A 60 1.203 1.758 7.560 1.00 0.00 C ATOM 1759 C ASN A 60 1.290 3.257 7.845 1.00 0.00 C ATOM 1760 O ASN A 60 1.320 3.688 8.980 1.00 0.00 O ATOM 1761 CB ASN A 60 0.023 1.494 6.621 1.00 0.00 C ATOM 1762 CG ASN A 60 0.048 0.036 6.158 1.00 0.00 C ATOM 1763 OD1 ASN A 60 1.099 -0.561 6.041 1.00 0.00 O ATOM 1764 ND2 ASN A 60 -1.079 -0.571 5.898 1.00 0.00 N ATOM 0 H ASN A 60 0.054 0.623 8.950 1.00 0.00 H new ATOM 0 HA ASN A 60 2.135 1.430 7.099 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -0.916 1.707 7.132 1.00 0.00 H new ATOM 0 HB3 ASN A 60 0.075 2.160 5.760 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -1.076 -1.546 5.597 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -1.962 -0.070 5.996 1.00 0.00 H new