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 158:sc= 1.41 USER MOD Set 1.2: A 15 CYS SG : rot -61:sc= -0.463 USER MOD Set 1.3: A 17 THR OG1 : rot 91:sc= -0.326! USER MOD Set 1.4: A 33 CYS SG : rot -131:sc= 1.38 USER MOD Set 1.5: A 36 CYS SG : rot 143:sc= 0.218 USER MOD Set 2.1: A 13 THR OG1 : rot 170:sc= 0 USER MOD Set 2.2: A 14 ASN : amide:sc= -6.17! C(o=-6.2!,f=-4.8!) USER MOD Single : A 11 THR OG1 : rot 37:sc= 0.0564 USER MOD Single : A 18 GLN : amide:sc= -4.06! C(o=-4.1!,f=-4.2!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot -125:sc= -0.196 USER MOD Single : A 26 ASN : amide:sc= -1.6 X(o=-1.6,f=-2) USER MOD Single : A 30 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 34 ASN : amide:sc= -4! C(o=-4!,f=-12!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HE2:sc= -8.39! C(o=-8.4!,f=-12!) USER MOD Single : A 50 SER OG : rot -29:sc= 0.37! USER MOD Single : A 52 LYS NZ :NH3+ -107:sc= 0.729 (180deg=-1.91!) USER MOD Single : A 53 THR OG1 : rot -141:sc= -0.124 USER MOD Single : A 57 LYS NZ :NH3+ 167:sc=-0.00522 (180deg=-0.236) USER MOD Single : A 58 LYS NZ :NH3+ -161:sc= -0.0507 (180deg=-0.53) USER MOD Single : A 60 ASN : amide:sc= -0.0602 K(o=-0.06,f=-1.7!) USER MOD ----------------------------------------------------------------- ATOM 970 N THR A 11 11.948 6.706 30.876 1.00 0.00 N ATOM 971 CA THR A 11 11.427 5.308 30.958 1.00 0.00 C ATOM 972 C THR A 11 9.967 5.329 31.425 1.00 0.00 C ATOM 973 O THR A 11 9.590 6.097 32.289 1.00 0.00 O ATOM 974 CB THR A 11 12.276 4.518 31.958 1.00 0.00 C ATOM 975 OG1 THR A 11 13.610 4.433 31.475 1.00 0.00 O ATOM 976 CG2 THR A 11 11.705 3.109 32.136 1.00 0.00 C ATOM 0 HA THR A 11 11.481 4.837 29.977 1.00 0.00 H new ATOM 0 HB THR A 11 12.264 5.028 32.921 1.00 0.00 H new ATOM 0 HG1 THR A 11 13.851 5.272 31.029 1.00 0.00 H new ATOM 0 HG21 THR A 11 12.316 2.556 32.849 1.00 0.00 H new ATOM 0 HG22 THR A 11 10.683 3.175 32.509 1.00 0.00 H new ATOM 0 HG23 THR A 11 11.709 2.591 31.177 1.00 0.00 H new ATOM 984 N CYS A 12 9.142 4.493 30.853 1.00 0.00 N ATOM 985 CA CYS A 12 7.705 4.466 31.256 1.00 0.00 C ATOM 986 C CYS A 12 7.580 3.986 32.703 1.00 0.00 C ATOM 987 O CYS A 12 7.810 2.832 33.008 1.00 0.00 O ATOM 988 CB CYS A 12 6.929 3.523 30.339 1.00 0.00 C ATOM 989 SG CYS A 12 5.158 3.876 30.482 1.00 0.00 S ATOM 0 H CYS A 12 9.401 3.828 30.124 1.00 0.00 H new ATOM 0 HA CYS A 12 7.294 5.472 31.173 1.00 0.00 H new ATOM 0 HB2 CYS A 12 7.255 3.650 29.307 1.00 0.00 H new ATOM 0 HB3 CYS A 12 7.128 2.486 30.611 1.00 0.00 H new ATOM 0 HG CYS A 12 4.542 3.440 29.424 1.00 0.00 H new ATOM 994 N THR A 13 7.201 4.863 33.590 1.00 0.00 N ATOM 995 CA THR A 13 7.053 4.469 35.019 1.00 0.00 C ATOM 996 C THR A 13 5.895 3.482 35.186 1.00 0.00 C ATOM 997 O THR A 13 5.722 2.907 36.241 1.00 0.00 O ATOM 998 CB THR A 13 6.781 5.709 35.874 1.00 0.00 C ATOM 999 OG1 THR A 13 5.672 6.418 35.340 1.00 0.00 O ATOM 1000 CG2 THR A 13 8.013 6.614 35.882 1.00 0.00 C ATOM 0 H THR A 13 6.987 5.839 33.386 1.00 0.00 H new ATOM 0 HA THR A 13 7.979 3.992 35.342 1.00 0.00 H new ATOM 0 HB THR A 13 6.558 5.400 36.895 1.00 0.00 H new ATOM 0 HG1 THR A 13 5.396 7.116 35.970 1.00 0.00 H new ATOM 0 HG21 THR A 13 7.813 7.495 36.492 1.00 0.00 H new ATOM 0 HG22 THR A 13 8.861 6.070 36.297 1.00 0.00 H new ATOM 0 HG23 THR A 13 8.244 6.923 34.863 1.00 0.00 H new ATOM 1008 N ASN A 14 5.090 3.284 34.171 1.00 0.00 N ATOM 1009 CA ASN A 14 3.937 2.338 34.303 1.00 0.00 C ATOM 1010 C ASN A 14 4.273 0.972 33.703 1.00 0.00 C ATOM 1011 O ASN A 14 3.800 -0.038 34.182 1.00 0.00 O ATOM 1012 CB ASN A 14 2.717 2.908 33.575 1.00 0.00 C ATOM 1013 CG ASN A 14 2.148 4.084 34.370 1.00 0.00 C ATOM 1014 OD1 ASN A 14 1.119 4.624 34.021 1.00 0.00 O ATOM 1015 ND2 ASN A 14 2.781 4.507 35.430 1.00 0.00 N ATOM 0 H ASN A 14 5.180 3.734 33.260 1.00 0.00 H new ATOM 0 HA ASN A 14 3.723 2.215 35.365 1.00 0.00 H new ATOM 0 HB2 ASN A 14 2.998 3.235 32.574 1.00 0.00 H new ATOM 0 HB3 ASN A 14 1.958 2.135 33.456 1.00 0.00 H new ATOM 0 HD21 ASN A 14 2.411 5.292 35.966 1.00 0.00 H new ATOM 0 HD22 ASN A 14 3.646 4.053 35.723 1.00 0.00 H new ATOM 1022 N CYS A 15 5.064 0.913 32.657 1.00 0.00 N ATOM 1023 CA CYS A 15 5.389 -0.416 32.043 1.00 0.00 C ATOM 1024 C CYS A 15 6.880 -0.488 31.708 1.00 0.00 C ATOM 1025 O CYS A 15 7.322 -1.365 30.994 1.00 0.00 O ATOM 1026 CB CYS A 15 4.538 -0.628 30.782 1.00 0.00 C ATOM 1027 SG CYS A 15 5.200 0.318 29.387 1.00 0.00 S ATOM 0 H CYS A 15 5.495 1.719 32.205 1.00 0.00 H new ATOM 0 HA CYS A 15 5.159 -1.208 32.755 1.00 0.00 H new ATOM 0 HB2 CYS A 15 4.514 -1.688 30.529 1.00 0.00 H new ATOM 0 HB3 CYS A 15 3.510 -0.324 30.977 1.00 0.00 H new ATOM 0 HG CYS A 15 5.178 1.586 29.673 1.00 0.00 H new ATOM 1032 N PHE A 16 7.658 0.416 32.244 1.00 0.00 N ATOM 1033 CA PHE A 16 9.132 0.408 32.008 1.00 0.00 C ATOM 1034 C PHE A 16 9.472 0.515 30.520 1.00 0.00 C ATOM 1035 O PHE A 16 10.629 0.497 30.151 1.00 0.00 O ATOM 1036 CB PHE A 16 9.748 -0.869 32.589 1.00 0.00 C ATOM 1037 CG PHE A 16 9.483 -0.919 34.074 1.00 0.00 C ATOM 1038 CD1 PHE A 16 10.340 -0.256 34.961 1.00 0.00 C ATOM 1039 CD2 PHE A 16 8.377 -1.622 34.566 1.00 0.00 C ATOM 1040 CE1 PHE A 16 10.093 -0.298 36.338 1.00 0.00 C ATOM 1041 CE2 PHE A 16 8.129 -1.664 35.944 1.00 0.00 C ATOM 1042 CZ PHE A 16 8.987 -1.001 36.830 1.00 0.00 C ATOM 0 H PHE A 16 7.328 1.171 32.845 1.00 0.00 H new ATOM 0 HA PHE A 16 9.550 1.281 32.509 1.00 0.00 H new ATOM 0 HB2 PHE A 16 9.322 -1.746 32.102 1.00 0.00 H new ATOM 0 HB3 PHE A 16 10.821 -0.888 32.398 1.00 0.00 H new ATOM 0 HD1 PHE A 16 11.192 0.288 34.582 1.00 0.00 H new ATOM 0 HD2 PHE A 16 7.714 -2.132 33.883 1.00 0.00 H new ATOM 0 HE1 PHE A 16 10.756 0.212 37.021 1.00 0.00 H new ATOM 0 HE2 PHE A 16 7.276 -2.208 36.323 1.00 0.00 H new ATOM 0 HZ PHE A 16 8.796 -1.032 37.892 1.00 0.00 H new ATOM 1052 N THR A 17 8.503 0.616 29.654 1.00 0.00 N ATOM 1053 CA THR A 17 8.842 0.709 28.205 1.00 0.00 C ATOM 1054 C THR A 17 9.770 1.906 27.988 1.00 0.00 C ATOM 1055 O THR A 17 9.455 3.026 28.340 1.00 0.00 O ATOM 1056 CB THR A 17 7.558 0.889 27.387 1.00 0.00 C ATOM 1057 OG1 THR A 17 6.841 -0.337 27.362 1.00 0.00 O ATOM 1058 CG2 THR A 17 7.898 1.310 25.954 1.00 0.00 C ATOM 0 H THR A 17 7.508 0.638 29.879 1.00 0.00 H new ATOM 0 HA THR A 17 9.342 -0.204 27.882 1.00 0.00 H new ATOM 0 HB THR A 17 6.948 1.665 27.849 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.216 -0.366 28.116 1.00 0.00 H new ATOM 0 HG21 THR A 17 6.978 1.435 25.383 1.00 0.00 H new ATOM 0 HG22 THR A 17 8.444 2.253 25.972 1.00 0.00 H new ATOM 0 HG23 THR A 17 8.514 0.542 25.486 1.00 0.00 H new ATOM 1066 N GLN A 18 10.919 1.666 27.411 1.00 0.00 N ATOM 1067 CA GLN A 18 11.898 2.765 27.160 1.00 0.00 C ATOM 1068 C GLN A 18 11.835 3.193 25.691 1.00 0.00 C ATOM 1069 O GLN A 18 12.345 4.231 25.319 1.00 0.00 O ATOM 1070 CB GLN A 18 13.307 2.267 27.505 1.00 0.00 C ATOM 1071 CG GLN A 18 13.598 0.950 26.774 1.00 0.00 C ATOM 1072 CD GLN A 18 12.914 -0.212 27.503 1.00 0.00 C ATOM 1073 OE1 GLN A 18 13.018 -0.335 28.706 1.00 0.00 O ATOM 1074 NE2 GLN A 18 12.213 -1.073 26.817 1.00 0.00 N ATOM 0 H GLN A 18 11.224 0.744 27.099 1.00 0.00 H new ATOM 0 HA GLN A 18 11.654 3.625 27.783 1.00 0.00 H new ATOM 0 HB2 GLN A 18 14.045 3.018 27.224 1.00 0.00 H new ATOM 0 HB3 GLN A 18 13.395 2.121 28.582 1.00 0.00 H new ATOM 0 HG2 GLN A 18 13.240 1.007 25.746 1.00 0.00 H new ATOM 0 HG3 GLN A 18 14.674 0.779 26.728 1.00 0.00 H new ATOM 0 HE21 GLN A 18 12.126 -0.969 25.806 1.00 0.00 H new ATOM 0 HE22 GLN A 18 11.752 -1.849 27.292 1.00 0.00 H new ATOM 1083 N THR A 19 11.203 2.405 24.857 1.00 0.00 N ATOM 1084 CA THR A 19 11.085 2.756 23.408 1.00 0.00 C ATOM 1085 C THR A 19 9.636 3.155 23.118 1.00 0.00 C ATOM 1086 O THR A 19 8.708 2.472 23.505 1.00 0.00 O ATOM 1087 CB THR A 19 11.458 1.541 22.551 1.00 0.00 C ATOM 1088 OG1 THR A 19 12.771 1.115 22.888 1.00 0.00 O ATOM 1089 CG2 THR A 19 11.411 1.921 21.069 1.00 0.00 C ATOM 0 H THR A 19 10.760 1.525 25.121 1.00 0.00 H new ATOM 0 HA THR A 19 11.757 3.581 23.171 1.00 0.00 H new ATOM 0 HB THR A 19 10.750 0.734 22.738 1.00 0.00 H new ATOM 0 HG1 THR A 19 13.012 0.337 22.343 1.00 0.00 H new ATOM 0 HG21 THR A 19 11.677 1.055 20.463 1.00 0.00 H new ATOM 0 HG22 THR A 19 10.405 2.251 20.810 1.00 0.00 H new ATOM 0 HG23 THR A 19 12.118 2.728 20.878 1.00 0.00 H new ATOM 1097 N THR A 20 9.426 4.262 22.456 1.00 0.00 N ATOM 1098 CA THR A 20 8.027 4.691 22.171 1.00 0.00 C ATOM 1099 C THR A 20 8.022 5.778 21.085 1.00 0.00 C ATOM 1100 O THR A 20 8.936 6.575 21.007 1.00 0.00 O ATOM 1101 CB THR A 20 7.421 5.261 23.456 1.00 0.00 C ATOM 1102 OG1 THR A 20 6.187 5.899 23.162 1.00 0.00 O ATOM 1103 CG2 THR A 20 8.390 6.278 24.065 1.00 0.00 C ATOM 0 H THR A 20 10.155 4.882 22.104 1.00 0.00 H new ATOM 0 HA THR A 20 7.446 3.837 21.822 1.00 0.00 H new ATOM 0 HB THR A 20 7.247 4.451 24.165 1.00 0.00 H new ATOM 0 HG1 THR A 20 6.208 6.820 23.495 1.00 0.00 H new ATOM 0 HG21 THR A 20 7.961 6.686 24.980 1.00 0.00 H new ATOM 0 HG22 THR A 20 9.336 5.787 24.294 1.00 0.00 H new ATOM 0 HG23 THR A 20 8.564 7.086 23.354 1.00 0.00 H new ATOM 1111 N PRO A 21 6.999 5.830 20.262 1.00 0.00 N ATOM 1112 CA PRO A 21 6.892 6.861 19.189 1.00 0.00 C ATOM 1113 C PRO A 21 6.631 8.254 19.771 1.00 0.00 C ATOM 1114 O PRO A 21 6.886 9.261 19.140 1.00 0.00 O ATOM 1115 CB PRO A 21 5.703 6.387 18.339 1.00 0.00 C ATOM 1116 CG PRO A 21 4.866 5.573 19.271 1.00 0.00 C ATOM 1117 CD PRO A 21 5.840 4.918 20.253 1.00 0.00 C ATOM 0 HA PRO A 21 7.812 6.956 18.613 1.00 0.00 H new ATOM 0 HB2 PRO A 21 5.142 7.231 17.939 1.00 0.00 H new ATOM 0 HB3 PRO A 21 6.037 5.794 17.488 1.00 0.00 H new ATOM 0 HG2 PRO A 21 4.145 6.200 19.796 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.296 4.820 18.727 1.00 0.00 H new ATOM 0 HD2 PRO A 21 5.401 4.820 21.246 1.00 0.00 H new ATOM 0 HD3 PRO A 21 6.122 3.916 19.928 1.00 0.00 H new ATOM 1125 N VAL A 22 6.120 8.319 20.970 1.00 0.00 N ATOM 1126 CA VAL A 22 5.841 9.645 21.584 1.00 0.00 C ATOM 1127 C VAL A 22 5.612 9.488 23.089 1.00 0.00 C ATOM 1128 O VAL A 22 4.968 8.563 23.544 1.00 0.00 O ATOM 1129 CB VAL A 22 4.603 10.262 20.930 1.00 0.00 C ATOM 1130 CG1 VAL A 22 3.412 9.313 21.075 1.00 0.00 C ATOM 1131 CG2 VAL A 22 4.282 11.592 21.611 1.00 0.00 C ATOM 0 H VAL A 22 5.885 7.513 21.549 1.00 0.00 H new ATOM 0 HA VAL A 22 6.697 10.301 21.425 1.00 0.00 H new ATOM 0 HB VAL A 22 4.799 10.430 19.871 1.00 0.00 H new ATOM 0 HG11 VAL A 22 2.533 9.758 20.608 1.00 0.00 H new ATOM 0 HG12 VAL A 22 3.641 8.365 20.589 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.212 9.139 22.132 1.00 0.00 H new ATOM 0 HG21 VAL A 22 3.400 12.035 21.148 1.00 0.00 H new ATOM 0 HG22 VAL A 22 4.088 11.421 22.670 1.00 0.00 H new ATOM 0 HG23 VAL A 22 5.128 12.270 21.502 1.00 0.00 H new ATOM 1141 N TRP A 23 6.153 10.394 23.858 1.00 0.00 N ATOM 1142 CA TRP A 23 6.001 10.327 25.342 1.00 0.00 C ATOM 1143 C TRP A 23 4.730 11.065 25.775 1.00 0.00 C ATOM 1144 O TRP A 23 4.482 12.187 25.381 1.00 0.00 O ATOM 1145 CB TRP A 23 7.225 10.971 26.006 1.00 0.00 C ATOM 1146 CG TRP A 23 8.393 10.036 25.918 1.00 0.00 C ATOM 1147 CD1 TRP A 23 9.480 10.217 25.134 1.00 0.00 C ATOM 1148 CD2 TRP A 23 8.602 8.778 26.621 1.00 0.00 C ATOM 1149 NE1 TRP A 23 10.344 9.152 25.313 1.00 0.00 N ATOM 1150 CE2 TRP A 23 9.847 8.236 26.218 1.00 0.00 C ATOM 1151 CE3 TRP A 23 7.840 8.060 27.557 1.00 0.00 C ATOM 1152 CZ2 TRP A 23 10.317 7.024 26.730 1.00 0.00 C ATOM 1153 CZ3 TRP A 23 8.307 6.842 28.073 1.00 0.00 C ATOM 1154 CH2 TRP A 23 9.542 6.324 27.661 1.00 0.00 C ATOM 0 H TRP A 23 6.699 11.186 23.519 1.00 0.00 H new ATOM 0 HA TRP A 23 5.924 9.284 25.649 1.00 0.00 H new ATOM 0 HB2 TRP A 23 7.464 11.915 25.515 1.00 0.00 H new ATOM 0 HB3 TRP A 23 7.007 11.200 27.049 1.00 0.00 H new ATOM 0 HD1 TRP A 23 9.646 11.057 24.475 1.00 0.00 H new ATOM 0 HE1 TRP A 23 11.240 9.055 24.834 1.00 0.00 H new ATOM 0 HE3 TRP A 23 6.886 8.449 27.882 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 11.271 6.631 26.410 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 7.711 6.300 28.792 1.00 0.00 H new ATOM 0 HH2 TRP A 23 9.895 5.385 28.062 1.00 0.00 H new ATOM 1165 N ARG A 24 3.931 10.437 26.597 1.00 0.00 N ATOM 1166 CA ARG A 24 2.671 11.072 27.092 1.00 0.00 C ATOM 1167 C ARG A 24 2.911 11.575 28.517 1.00 0.00 C ATOM 1168 O ARG A 24 3.922 11.278 29.121 1.00 0.00 O ATOM 1169 CB ARG A 24 1.537 10.037 27.103 1.00 0.00 C ATOM 1170 CG ARG A 24 1.193 9.596 25.671 1.00 0.00 C ATOM 1171 CD ARG A 24 0.217 10.582 25.014 1.00 0.00 C ATOM 1172 NE ARG A 24 0.114 10.282 23.558 1.00 0.00 N ATOM 1173 CZ ARG A 24 -0.894 10.735 22.862 1.00 0.00 C ATOM 1174 NH1 ARG A 24 -1.846 11.408 23.447 1.00 0.00 N ATOM 1175 NH2 ARG A 24 -0.955 10.503 21.579 1.00 0.00 N ATOM 0 H ARG A 24 4.100 9.496 26.953 1.00 0.00 H new ATOM 0 HA ARG A 24 2.391 11.899 26.440 1.00 0.00 H new ATOM 0 HB2 ARG A 24 1.834 9.171 27.695 1.00 0.00 H new ATOM 0 HB3 ARG A 24 0.654 10.462 27.580 1.00 0.00 H new ATOM 0 HG2 ARG A 24 2.105 9.531 25.077 1.00 0.00 H new ATOM 0 HG3 ARG A 24 0.752 8.599 25.689 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -0.764 10.506 25.482 1.00 0.00 H new ATOM 0 HD3 ARG A 24 0.562 11.605 25.162 1.00 0.00 H new ATOM 0 HE ARG A 24 0.834 9.720 23.103 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -1.805 11.582 24.451 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -2.632 11.760 22.900 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -0.216 9.969 21.122 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -1.741 10.856 21.034 1.00 0.00 H new ATOM 1189 N ARG A 25 1.994 12.335 29.057 1.00 0.00 N ATOM 1190 CA ARG A 25 2.164 12.863 30.446 1.00 0.00 C ATOM 1191 C ARG A 25 0.849 12.706 31.213 1.00 0.00 C ATOM 1192 O ARG A 25 -0.195 12.484 30.631 1.00 0.00 O ATOM 1193 CB ARG A 25 2.575 14.334 30.389 1.00 0.00 C ATOM 1194 CG ARG A 25 4.007 14.433 29.853 1.00 0.00 C ATOM 1195 CD ARG A 25 4.479 15.883 29.935 1.00 0.00 C ATOM 1196 NE ARG A 25 5.867 15.994 29.404 1.00 0.00 N ATOM 1197 CZ ARG A 25 6.360 17.167 29.106 1.00 0.00 C ATOM 1198 NH1 ARG A 25 5.633 18.239 29.260 1.00 0.00 N ATOM 1199 NH2 ARG A 25 7.581 17.269 28.655 1.00 0.00 N ATOM 0 H ARG A 25 1.129 12.615 28.594 1.00 0.00 H new ATOM 0 HA ARG A 25 2.944 12.302 30.961 1.00 0.00 H new ATOM 0 HB2 ARG A 25 1.893 14.890 29.746 1.00 0.00 H new ATOM 0 HB3 ARG A 25 2.513 14.781 31.381 1.00 0.00 H new ATOM 0 HG2 ARG A 25 4.669 13.790 30.432 1.00 0.00 H new ATOM 0 HG3 ARG A 25 4.046 14.084 28.821 1.00 0.00 H new ATOM 0 HD2 ARG A 25 3.809 16.526 29.364 1.00 0.00 H new ATOM 0 HD3 ARG A 25 4.447 16.227 30.969 1.00 0.00 H new ATOM 0 HE ARG A 25 6.432 15.155 29.273 1.00 0.00 H new ATOM 0 HH11 ARG A 25 4.679 18.162 29.613 1.00 0.00 H new ATOM 0 HH12 ARG A 25 6.018 19.154 29.027 1.00 0.00 H new ATOM 0 HH21 ARG A 25 8.152 16.432 28.535 1.00 0.00 H new ATOM 0 HH22 ARG A 25 7.964 18.185 28.423 1.00 0.00 H new ATOM 1213 N ASN A 26 0.902 12.776 32.519 1.00 0.00 N ATOM 1214 CA ASN A 26 -0.327 12.587 33.351 1.00 0.00 C ATOM 1215 C ASN A 26 -0.403 13.722 34.387 1.00 0.00 C ATOM 1216 O ASN A 26 0.622 14.224 34.798 1.00 0.00 O ATOM 1217 CB ASN A 26 -0.170 11.234 34.062 1.00 0.00 C ATOM 1218 CG ASN A 26 -1.531 10.678 34.479 1.00 0.00 C ATOM 1219 OD1 ASN A 26 -2.414 10.526 33.657 1.00 0.00 O ATOM 1220 ND2 ASN A 26 -1.743 10.365 35.728 1.00 0.00 N ATOM 0 H ASN A 26 1.753 12.958 33.051 1.00 0.00 H new ATOM 0 HA ASN A 26 -1.235 12.604 32.749 1.00 0.00 H new ATOM 0 HB2 ASN A 26 0.330 10.526 33.400 1.00 0.00 H new ATOM 0 HB3 ASN A 26 0.464 11.351 34.941 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -2.649 9.993 36.014 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -1.003 10.492 36.418 1.00 0.00 H new ATOM 1227 N PRO A 27 -1.578 14.134 34.822 1.00 0.00 N ATOM 1228 CA PRO A 27 -1.709 15.220 35.845 1.00 0.00 C ATOM 1229 C PRO A 27 -0.740 15.063 37.028 1.00 0.00 C ATOM 1230 O PRO A 27 -0.680 15.908 37.900 1.00 0.00 O ATOM 1231 CB PRO A 27 -3.158 15.086 36.321 1.00 0.00 C ATOM 1232 CG PRO A 27 -3.894 14.568 35.132 1.00 0.00 C ATOM 1233 CD PRO A 27 -2.911 13.651 34.393 1.00 0.00 C ATOM 0 HA PRO A 27 -1.465 16.194 35.422 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -3.237 14.402 37.166 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -3.559 16.045 36.649 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -4.787 14.020 35.434 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -4.223 15.385 34.490 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -3.062 12.605 34.661 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -3.033 13.724 33.312 1.00 0.00 H new ATOM 1241 N GLU A 28 0.034 14.007 37.063 1.00 0.00 N ATOM 1242 CA GLU A 28 1.012 13.818 38.177 1.00 0.00 C ATOM 1243 C GLU A 28 2.384 14.300 37.699 1.00 0.00 C ATOM 1244 O GLU A 28 3.275 14.568 38.481 1.00 0.00 O ATOM 1245 CB GLU A 28 1.087 12.333 38.534 1.00 0.00 C ATOM 1246 CG GLU A 28 -0.266 11.871 39.080 1.00 0.00 C ATOM 1247 CD GLU A 28 -0.194 10.386 39.438 1.00 0.00 C ATOM 1248 OE1 GLU A 28 0.848 9.794 39.216 1.00 0.00 O ATOM 1249 OE2 GLU A 28 -1.185 9.866 39.926 1.00 0.00 O ATOM 0 H GLU A 28 0.030 13.264 36.364 1.00 0.00 H new ATOM 0 HA GLU A 28 0.702 14.383 39.056 1.00 0.00 H new ATOM 0 HB2 GLU A 28 1.354 11.749 37.653 1.00 0.00 H new ATOM 0 HB3 GLU A 28 1.867 12.165 39.276 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -0.533 12.455 39.961 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -1.046 12.039 38.337 1.00 0.00 H new ATOM 1256 N GLY A 29 2.547 14.413 36.408 1.00 0.00 N ATOM 1257 CA GLY A 29 3.841 14.880 35.834 1.00 0.00 C ATOM 1258 C GLY A 29 4.781 13.697 35.598 1.00 0.00 C ATOM 1259 O GLY A 29 5.924 13.874 35.224 1.00 0.00 O ATOM 0 H GLY A 29 1.828 14.198 35.718 1.00 0.00 H new ATOM 0 HA2 GLY A 29 3.661 15.402 34.894 1.00 0.00 H new ATOM 0 HA3 GLY A 29 4.309 15.594 36.511 1.00 0.00 H new ATOM 1263 N GLN A 30 4.320 12.490 35.793 1.00 0.00 N ATOM 1264 CA GLN A 30 5.210 11.315 35.554 1.00 0.00 C ATOM 1265 C GLN A 30 5.174 10.963 34.059 1.00 0.00 C ATOM 1266 O GLN A 30 4.169 11.165 33.406 1.00 0.00 O ATOM 1267 CB GLN A 30 4.733 10.122 36.389 1.00 0.00 C ATOM 1268 CG GLN A 30 3.309 9.730 35.991 1.00 0.00 C ATOM 1269 CD GLN A 30 2.836 8.587 36.892 1.00 0.00 C ATOM 1270 OE1 GLN A 30 3.540 8.179 37.794 1.00 0.00 O ATOM 1271 NE2 GLN A 30 1.666 8.047 36.685 1.00 0.00 N ATOM 0 H GLN A 30 3.375 12.267 36.105 1.00 0.00 H new ATOM 0 HA GLN A 30 6.231 11.557 35.848 1.00 0.00 H new ATOM 0 HB2 GLN A 30 5.404 9.276 36.243 1.00 0.00 H new ATOM 0 HB3 GLN A 30 4.765 10.375 37.449 1.00 0.00 H new ATOM 0 HG2 GLN A 30 2.642 10.586 36.088 1.00 0.00 H new ATOM 0 HG3 GLN A 30 3.282 9.421 34.946 1.00 0.00 H new ATOM 0 HE21 GLN A 30 1.074 8.388 35.928 1.00 0.00 H new ATOM 0 HE22 GLN A 30 1.344 7.284 37.280 1.00 0.00 H new ATOM 1280 N PRO A 31 6.250 10.455 33.505 1.00 0.00 N ATOM 1281 CA PRO A 31 6.308 10.095 32.054 1.00 0.00 C ATOM 1282 C PRO A 31 5.611 8.761 31.745 1.00 0.00 C ATOM 1283 O PRO A 31 5.657 7.831 32.523 1.00 0.00 O ATOM 1284 CB PRO A 31 7.811 9.983 31.793 1.00 0.00 C ATOM 1285 CG PRO A 31 8.362 9.480 33.085 1.00 0.00 C ATOM 1286 CD PRO A 31 7.532 10.160 34.178 1.00 0.00 C ATOM 0 HA PRO A 31 5.796 10.827 31.429 1.00 0.00 H new ATOM 0 HB2 PRO A 31 8.024 9.297 30.973 1.00 0.00 H new ATOM 0 HB3 PRO A 31 8.243 10.947 31.523 1.00 0.00 H new ATOM 0 HG2 PRO A 31 8.282 8.395 33.150 1.00 0.00 H new ATOM 0 HG3 PRO A 31 9.419 9.728 33.184 1.00 0.00 H new ATOM 0 HD2 PRO A 31 7.392 9.508 35.040 1.00 0.00 H new ATOM 0 HD3 PRO A 31 8.013 11.068 34.541 1.00 0.00 H new ATOM 1294 N LEU A 32 4.981 8.666 30.602 1.00 0.00 N ATOM 1295 CA LEU A 32 4.289 7.395 30.211 1.00 0.00 C ATOM 1296 C LEU A 32 4.519 7.130 28.720 1.00 0.00 C ATOM 1297 O LEU A 32 4.591 8.046 27.925 1.00 0.00 O ATOM 1298 CB LEU A 32 2.780 7.523 30.457 1.00 0.00 C ATOM 1299 CG LEU A 32 2.487 7.777 31.941 1.00 0.00 C ATOM 1300 CD1 LEU A 32 1.010 8.139 32.101 1.00 0.00 C ATOM 1301 CD2 LEU A 32 2.781 6.520 32.771 1.00 0.00 C ATOM 0 H LEU A 32 4.914 9.418 29.916 1.00 0.00 H new ATOM 0 HA LEU A 32 4.691 6.576 30.808 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.378 8.340 29.858 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.276 6.612 30.133 1.00 0.00 H new ATOM 0 HG LEU A 32 3.122 8.591 32.291 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.792 8.321 33.153 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.791 9.037 31.524 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.393 7.316 31.740 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.567 6.719 33.821 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.154 5.699 32.423 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.831 6.248 32.660 1.00 0.00 H new ATOM 1313 N CYS A 33 4.604 5.886 28.324 1.00 0.00 N ATOM 1314 CA CYS A 33 4.797 5.583 26.879 1.00 0.00 C ATOM 1315 C CYS A 33 3.478 5.860 26.157 1.00 0.00 C ATOM 1316 O CYS A 33 2.492 6.209 26.777 1.00 0.00 O ATOM 1317 CB CYS A 33 5.230 4.122 26.689 1.00 0.00 C ATOM 1318 SG CYS A 33 3.863 2.996 27.055 1.00 0.00 S ATOM 0 H CYS A 33 4.548 5.073 28.937 1.00 0.00 H new ATOM 0 HA CYS A 33 5.585 6.212 26.464 1.00 0.00 H new ATOM 0 HB2 CYS A 33 5.569 3.969 25.665 1.00 0.00 H new ATOM 0 HB3 CYS A 33 6.075 3.900 27.341 1.00 0.00 H new ATOM 0 HG CYS A 33 4.276 2.057 27.853 1.00 0.00 H new ATOM 1323 N ASN A 34 3.442 5.735 24.861 1.00 0.00 N ATOM 1324 CA ASN A 34 2.173 6.024 24.138 1.00 0.00 C ATOM 1325 C ASN A 34 1.092 5.006 24.515 1.00 0.00 C ATOM 1326 O ASN A 34 -0.060 5.352 24.681 1.00 0.00 O ATOM 1327 CB ASN A 34 2.424 5.972 22.629 1.00 0.00 C ATOM 1328 CG ASN A 34 2.990 4.604 22.243 1.00 0.00 C ATOM 1329 OD1 ASN A 34 3.438 3.857 23.090 1.00 0.00 O ATOM 1330 ND2 ASN A 34 2.991 4.245 20.989 1.00 0.00 N ATOM 0 H ASN A 34 4.227 5.448 24.276 1.00 0.00 H new ATOM 0 HA ASN A 34 1.827 7.018 24.421 1.00 0.00 H new ATOM 0 HB2 ASN A 34 1.495 6.156 22.090 1.00 0.00 H new ATOM 0 HB3 ASN A 34 3.121 6.759 22.340 1.00 0.00 H new ATOM 0 HD21 ASN A 34 3.368 3.337 20.719 1.00 0.00 H new ATOM 0 HD22 ASN A 34 2.615 4.873 20.279 1.00 0.00 H new ATOM 1337 N ALA A 35 1.439 3.753 24.633 1.00 0.00 N ATOM 1338 CA ALA A 35 0.411 2.728 24.976 1.00 0.00 C ATOM 1339 C ALA A 35 -0.226 3.008 26.345 1.00 0.00 C ATOM 1340 O ALA A 35 -1.433 3.059 26.469 1.00 0.00 O ATOM 1341 CB ALA A 35 1.066 1.346 24.980 1.00 0.00 C ATOM 0 H ALA A 35 2.386 3.395 24.507 1.00 0.00 H new ATOM 0 HA ALA A 35 -0.381 2.766 24.228 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.321 0.591 25.230 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.478 1.136 23.993 1.00 0.00 H new ATOM 0 HB3 ALA A 35 1.866 1.325 25.720 1.00 0.00 H new ATOM 1347 N CYS A 36 0.559 3.172 27.379 1.00 0.00 N ATOM 1348 CA CYS A 36 -0.038 3.428 28.727 1.00 0.00 C ATOM 1349 C CYS A 36 -0.875 4.707 28.693 1.00 0.00 C ATOM 1350 O CYS A 36 -1.964 4.764 29.228 1.00 0.00 O ATOM 1351 CB CYS A 36 1.060 3.602 29.779 1.00 0.00 C ATOM 1352 SG CYS A 36 1.917 2.035 30.068 1.00 0.00 S ATOM 0 H CYS A 36 1.578 3.140 27.351 1.00 0.00 H new ATOM 0 HA CYS A 36 -0.662 2.573 28.986 1.00 0.00 H new ATOM 0 HB2 CYS A 36 1.773 4.357 29.447 1.00 0.00 H new ATOM 0 HB3 CYS A 36 0.625 3.962 30.711 1.00 0.00 H new ATOM 0 HG CYS A 36 3.181 2.262 30.270 1.00 0.00 H new ATOM 1357 N GLY A 37 -0.374 5.739 28.074 1.00 0.00 N ATOM 1358 CA GLY A 37 -1.143 7.013 28.024 1.00 0.00 C ATOM 1359 C GLY A 37 -2.482 6.780 27.327 1.00 0.00 C ATOM 1360 O GLY A 37 -3.527 7.140 27.833 1.00 0.00 O ATOM 0 H GLY A 37 0.530 5.756 27.603 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.308 7.389 29.034 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.572 7.773 27.491 1.00 0.00 H new ATOM 1364 N LEU A 38 -2.463 6.182 26.168 1.00 0.00 N ATOM 1365 CA LEU A 38 -3.737 5.929 25.440 1.00 0.00 C ATOM 1366 C LEU A 38 -4.576 4.880 26.177 1.00 0.00 C ATOM 1367 O LEU A 38 -5.746 5.079 26.435 1.00 0.00 O ATOM 1368 CB LEU A 38 -3.412 5.414 24.034 1.00 0.00 C ATOM 1369 CG LEU A 38 -2.655 6.488 23.237 1.00 0.00 C ATOM 1370 CD1 LEU A 38 -1.952 5.832 22.044 1.00 0.00 C ATOM 1371 CD2 LEU A 38 -3.629 7.552 22.711 1.00 0.00 C ATOM 0 H LEU A 38 -1.620 5.858 25.694 1.00 0.00 H new ATOM 0 HA LEU A 38 -4.305 6.858 25.383 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.809 4.508 24.101 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.332 5.147 23.515 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.926 6.962 23.894 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.414 6.591 21.476 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -1.248 5.081 22.404 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.693 5.356 21.402 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.076 8.305 22.149 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -4.365 7.081 22.060 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -4.138 8.026 23.550 1.00 0.00 H new ATOM 1383 N PHE A 39 -3.993 3.756 26.502 1.00 0.00 N ATOM 1384 CA PHE A 39 -4.770 2.692 27.202 1.00 0.00 C ATOM 1385 C PHE A 39 -5.234 3.162 28.584 1.00 0.00 C ATOM 1386 O PHE A 39 -6.387 3.031 28.940 1.00 0.00 O ATOM 1387 CB PHE A 39 -3.896 1.447 27.383 1.00 0.00 C ATOM 1388 CG PHE A 39 -4.677 0.414 28.160 1.00 0.00 C ATOM 1389 CD1 PHE A 39 -4.700 0.467 29.559 1.00 0.00 C ATOM 1390 CD2 PHE A 39 -5.405 -0.573 27.486 1.00 0.00 C ATOM 1391 CE1 PHE A 39 -5.445 -0.469 30.284 1.00 0.00 C ATOM 1392 CE2 PHE A 39 -6.155 -1.507 28.211 1.00 0.00 C ATOM 1393 CZ PHE A 39 -6.174 -1.454 29.610 1.00 0.00 C ATOM 0 H PHE A 39 -3.016 3.530 26.314 1.00 0.00 H new ATOM 0 HA PHE A 39 -5.643 2.462 26.591 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -3.603 1.047 26.412 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -2.978 1.704 27.912 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -4.142 1.232 30.079 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -5.388 -0.614 26.407 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -5.457 -0.431 31.363 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -6.719 -2.268 27.691 1.00 0.00 H new ATOM 0 HZ PHE A 39 -6.752 -2.175 30.169 1.00 0.00 H new ATOM 1403 N LEU A 40 -4.335 3.670 29.377 1.00 0.00 N ATOM 1404 CA LEU A 40 -4.717 4.103 30.750 1.00 0.00 C ATOM 1405 C LEU A 40 -5.792 5.191 30.675 1.00 0.00 C ATOM 1406 O LEU A 40 -6.810 5.117 31.335 1.00 0.00 O ATOM 1407 CB LEU A 40 -3.473 4.636 31.468 1.00 0.00 C ATOM 1408 CG LEU A 40 -3.742 4.792 32.973 1.00 0.00 C ATOM 1409 CD1 LEU A 40 -3.715 3.422 33.670 1.00 0.00 C ATOM 1410 CD2 LEU A 40 -2.660 5.689 33.585 1.00 0.00 C ATOM 0 H LEU A 40 -3.353 3.804 29.135 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.121 3.256 31.304 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.636 3.955 31.311 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -3.185 5.598 31.043 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.727 5.239 33.112 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.907 3.552 34.735 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.482 2.779 33.238 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.736 2.963 33.531 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.844 5.804 34.653 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.681 5.234 33.433 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.684 6.667 33.105 1.00 0.00 H new ATOM 1422 N LYS A 41 -5.577 6.201 29.879 1.00 0.00 N ATOM 1423 CA LYS A 41 -6.587 7.292 29.768 1.00 0.00 C ATOM 1424 C LYS A 41 -7.917 6.729 29.248 1.00 0.00 C ATOM 1425 O LYS A 41 -8.971 7.019 29.779 1.00 0.00 O ATOM 1426 CB LYS A 41 -6.061 8.367 28.810 1.00 0.00 C ATOM 1427 CG LYS A 41 -7.077 9.505 28.676 1.00 0.00 C ATOM 1428 CD LYS A 41 -6.530 10.565 27.717 1.00 0.00 C ATOM 1429 CE LYS A 41 -7.543 11.703 27.579 1.00 0.00 C ATOM 1430 NZ LYS A 41 -6.904 12.857 26.886 1.00 0.00 N ATOM 0 H LYS A 41 -4.746 6.319 29.300 1.00 0.00 H new ATOM 0 HA LYS A 41 -6.757 7.731 30.751 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -5.113 8.759 29.178 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -5.866 7.928 27.832 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -8.026 9.118 28.305 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.273 9.949 29.652 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -5.581 10.952 28.089 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -6.332 10.120 26.742 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -8.413 11.364 27.016 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -7.899 12.008 28.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -7.593 13.630 26.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -6.087 13.186 27.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -6.585 12.561 25.941 1.00 0.00 H new ATOM 1444 N LEU A 42 -7.880 5.951 28.199 1.00 0.00 N ATOM 1445 CA LEU A 42 -9.150 5.402 27.635 1.00 0.00 C ATOM 1446 C LEU A 42 -9.767 4.358 28.574 1.00 0.00 C ATOM 1447 O LEU A 42 -10.971 4.308 28.737 1.00 0.00 O ATOM 1448 CB LEU A 42 -8.868 4.749 26.278 1.00 0.00 C ATOM 1449 CG LEU A 42 -8.528 5.812 25.222 1.00 0.00 C ATOM 1450 CD1 LEU A 42 -7.961 5.113 23.982 1.00 0.00 C ATOM 1451 CD2 LEU A 42 -9.785 6.601 24.820 1.00 0.00 C ATOM 0 H LEU A 42 -7.030 5.672 27.709 1.00 0.00 H new ATOM 0 HA LEU A 42 -9.854 6.226 27.519 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -8.040 4.046 26.373 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -9.738 4.176 25.957 1.00 0.00 H new ATOM 0 HG LEU A 42 -7.798 6.505 25.640 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -7.716 5.858 23.225 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -7.061 4.562 24.255 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -8.703 4.421 23.583 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -9.522 7.348 24.071 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -10.526 5.918 24.405 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -10.199 7.097 25.698 1.00 0.00 H new ATOM 1463 N HIS A 43 -8.979 3.502 29.169 1.00 0.00 N ATOM 1464 CA HIS A 43 -9.568 2.453 30.058 1.00 0.00 C ATOM 1465 C HIS A 43 -9.816 3.010 31.460 1.00 0.00 C ATOM 1466 O HIS A 43 -10.866 2.798 32.036 1.00 0.00 O ATOM 1467 CB HIS A 43 -8.606 1.267 30.147 1.00 0.00 C ATOM 1468 CG HIS A 43 -8.555 0.574 28.815 1.00 0.00 C ATOM 1469 ND1 HIS A 43 -7.881 1.114 27.732 1.00 0.00 N ATOM 1470 CD2 HIS A 43 -9.091 -0.611 28.373 1.00 0.00 C ATOM 1471 CE1 HIS A 43 -8.029 0.264 26.699 1.00 0.00 C ATOM 1472 NE2 HIS A 43 -8.757 -0.803 27.035 1.00 0.00 N ATOM 0 H HIS A 43 -7.963 3.481 29.081 1.00 0.00 H new ATOM 0 HA HIS A 43 -10.520 2.132 29.636 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -7.611 1.610 30.430 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -8.936 0.573 30.920 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -7.367 1.995 27.720 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -9.681 -1.290 28.971 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -7.609 0.426 25.717 1.00 0.00 H new ATOM 1480 N GLY A 44 -8.879 3.722 32.020 1.00 0.00 N ATOM 1481 CA GLY A 44 -9.091 4.285 33.383 1.00 0.00 C ATOM 1482 C GLY A 44 -9.046 3.182 34.445 1.00 0.00 C ATOM 1483 O GLY A 44 -9.371 3.420 35.593 1.00 0.00 O ATOM 0 H GLY A 44 -7.978 3.938 31.595 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -8.325 5.031 33.595 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -10.053 4.795 33.424 1.00 0.00 H new ATOM 1487 N VAL A 45 -8.663 1.980 34.089 1.00 0.00 N ATOM 1488 CA VAL A 45 -8.620 0.876 35.102 1.00 0.00 C ATOM 1489 C VAL A 45 -7.373 0.011 34.909 1.00 0.00 C ATOM 1490 O VAL A 45 -6.960 -0.280 33.805 1.00 0.00 O ATOM 1491 CB VAL A 45 -9.861 -0.004 34.959 1.00 0.00 C ATOM 1492 CG1 VAL A 45 -11.088 0.757 35.463 1.00 0.00 C ATOM 1493 CG2 VAL A 45 -10.062 -0.371 33.486 1.00 0.00 C ATOM 0 H VAL A 45 -8.379 1.715 33.146 1.00 0.00 H new ATOM 0 HA VAL A 45 -8.591 1.325 36.095 1.00 0.00 H new ATOM 0 HB VAL A 45 -9.729 -0.913 35.546 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -11.973 0.129 35.361 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -10.948 1.019 36.512 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -11.219 1.666 34.876 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -10.947 -0.999 33.385 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -10.193 0.538 32.899 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -9.189 -0.914 33.124 1.00 0.00 H new ATOM 1503 N VAL A 46 -6.776 -0.396 35.996 1.00 0.00 N ATOM 1504 CA VAL A 46 -5.553 -1.243 35.925 1.00 0.00 C ATOM 1505 C VAL A 46 -5.843 -2.545 35.172 1.00 0.00 C ATOM 1506 O VAL A 46 -6.906 -3.124 35.286 1.00 0.00 O ATOM 1507 CB VAL A 46 -5.081 -1.575 37.343 1.00 0.00 C ATOM 1508 CG1 VAL A 46 -4.585 -0.301 38.029 1.00 0.00 C ATOM 1509 CG2 VAL A 46 -6.244 -2.164 38.145 1.00 0.00 C ATOM 0 H VAL A 46 -7.088 -0.174 36.941 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.777 -0.693 35.392 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.269 -2.301 37.293 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.249 -0.538 39.038 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.756 0.119 37.460 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.396 0.425 38.078 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -5.907 -2.400 39.154 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -7.056 -1.439 38.194 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -6.598 -3.073 37.659 1.00 0.00 H new ATOM 1519 N ARG A 47 -4.888 -3.010 34.413 1.00 0.00 N ATOM 1520 CA ARG A 47 -5.060 -4.281 33.649 1.00 0.00 C ATOM 1521 C ARG A 47 -3.660 -4.886 33.446 1.00 0.00 C ATOM 1522 O ARG A 47 -2.726 -4.155 33.183 1.00 0.00 O ATOM 1523 CB ARG A 47 -5.713 -3.959 32.292 1.00 0.00 C ATOM 1524 CG ARG A 47 -6.361 -5.213 31.693 1.00 0.00 C ATOM 1525 CD ARG A 47 -7.207 -4.828 30.478 1.00 0.00 C ATOM 1526 NE ARG A 47 -7.902 -6.039 29.954 1.00 0.00 N ATOM 1527 CZ ARG A 47 -8.892 -5.913 29.111 1.00 0.00 C ATOM 1528 NH1 ARG A 47 -9.296 -4.725 28.752 1.00 0.00 N ATOM 1529 NH2 ARG A 47 -9.478 -6.976 28.631 1.00 0.00 N ATOM 0 H ARG A 47 -3.983 -2.557 34.288 1.00 0.00 H new ATOM 0 HA ARG A 47 -5.697 -4.988 34.180 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -6.465 -3.180 32.420 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -4.963 -3.568 31.605 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -5.591 -5.927 31.400 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -6.984 -5.704 32.441 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -7.937 -4.068 30.756 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -6.574 -4.395 29.703 1.00 0.00 H new ATOM 0 HE ARG A 47 -7.604 -6.967 30.254 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -8.839 -3.895 29.130 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -10.069 -4.626 28.094 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -9.163 -7.904 28.914 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -10.251 -6.879 27.973 1.00 0.00 H new ATOM 1543 N PRO A 48 -3.485 -6.186 33.585 1.00 0.00 N ATOM 1544 CA PRO A 48 -2.159 -6.845 33.430 1.00 0.00 C ATOM 1545 C PRO A 48 -1.182 -6.104 32.512 1.00 0.00 C ATOM 1546 O PRO A 48 -1.257 -6.191 31.303 1.00 0.00 O ATOM 1547 CB PRO A 48 -2.539 -8.193 32.831 1.00 0.00 C ATOM 1548 CG PRO A 48 -3.840 -8.538 33.496 1.00 0.00 C ATOM 1549 CD PRO A 48 -4.506 -7.206 33.903 1.00 0.00 C ATOM 0 HA PRO A 48 -1.623 -6.889 34.378 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -2.649 -8.131 31.748 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -1.777 -8.947 33.031 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -4.483 -9.099 32.818 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -3.672 -9.168 34.370 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -5.428 -7.035 33.348 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -4.765 -7.196 34.962 1.00 0.00 H new ATOM 1557 N LEU A 49 -0.241 -5.412 33.090 1.00 0.00 N ATOM 1558 CA LEU A 49 0.776 -4.704 32.267 1.00 0.00 C ATOM 1559 C LEU A 49 1.506 -5.760 31.436 1.00 0.00 C ATOM 1560 O LEU A 49 2.253 -5.456 30.527 1.00 0.00 O ATOM 1561 CB LEU A 49 1.770 -3.979 33.180 1.00 0.00 C ATOM 1562 CG LEU A 49 1.067 -2.848 33.944 1.00 0.00 C ATOM 1563 CD1 LEU A 49 1.978 -2.371 35.077 1.00 0.00 C ATOM 1564 CD2 LEU A 49 0.768 -1.664 33.010 1.00 0.00 C ATOM 0 H LEU A 49 -0.133 -5.306 34.099 1.00 0.00 H new ATOM 0 HA LEU A 49 0.304 -3.964 31.621 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.208 -4.685 33.885 1.00 0.00 H new ATOM 0 HB3 LEU A 49 2.589 -3.572 32.587 1.00 0.00 H new ATOM 0 HG LEU A 49 0.126 -3.226 34.344 1.00 0.00 H new ATOM 0 HD11 LEU A 49 1.486 -1.567 35.625 1.00 0.00 H new ATOM 0 HD12 LEU A 49 2.181 -3.201 35.754 1.00 0.00 H new ATOM 0 HD13 LEU A 49 2.916 -2.005 34.660 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.270 -0.874 33.572 1.00 0.00 H new ATOM 0 HD22 LEU A 49 1.701 -1.282 32.597 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.120 -1.995 32.198 1.00 0.00 H new ATOM 1576 N SER A 50 1.295 -7.007 31.766 1.00 0.00 N ATOM 1577 CA SER A 50 1.972 -8.112 31.030 1.00 0.00 C ATOM 1578 C SER A 50 1.666 -7.997 29.535 1.00 0.00 C ATOM 1579 O SER A 50 2.229 -8.702 28.722 1.00 0.00 O ATOM 1580 CB SER A 50 1.470 -9.461 31.547 1.00 0.00 C ATOM 1581 OG SER A 50 2.042 -10.501 30.767 1.00 0.00 O ATOM 0 H SER A 50 0.678 -7.308 32.520 1.00 0.00 H new ATOM 0 HA SER A 50 3.048 -8.040 31.189 1.00 0.00 H new ATOM 0 HB2 SER A 50 1.740 -9.586 32.596 1.00 0.00 H new ATOM 0 HB3 SER A 50 0.382 -9.504 31.491 1.00 0.00 H new ATOM 0 HG SER A 50 2.223 -10.170 29.862 1.00 0.00 H new ATOM 1587 N LEU A 51 0.803 -7.094 29.161 1.00 0.00 N ATOM 1588 CA LEU A 51 0.504 -6.923 27.710 1.00 0.00 C ATOM 1589 C LEU A 51 1.711 -6.250 27.066 1.00 0.00 C ATOM 1590 O LEU A 51 2.109 -6.567 25.963 1.00 0.00 O ATOM 1591 CB LEU A 51 -0.702 -6.003 27.528 1.00 0.00 C ATOM 1592 CG LEU A 51 -1.949 -6.619 28.166 1.00 0.00 C ATOM 1593 CD1 LEU A 51 -3.008 -5.527 28.316 1.00 0.00 C ATOM 1594 CD2 LEU A 51 -2.506 -7.743 27.284 1.00 0.00 C ATOM 0 H LEU A 51 0.295 -6.472 29.790 1.00 0.00 H new ATOM 0 HA LEU A 51 0.292 -7.893 27.260 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.497 -5.032 27.980 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.878 -5.830 26.466 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.687 -7.037 29.138 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -3.905 -5.949 28.770 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.621 -4.730 28.951 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.254 -5.122 27.335 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.392 -8.169 27.754 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.771 -7.341 26.306 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.751 -8.519 27.164 1.00 0.00 H new ATOM 1606 N LYS A 52 2.286 -5.311 27.762 1.00 0.00 N ATOM 1607 CA LYS A 52 3.470 -4.582 27.230 1.00 0.00 C ATOM 1608 C LYS A 52 4.484 -5.566 26.644 1.00 0.00 C ATOM 1609 O LYS A 52 4.569 -6.712 27.042 1.00 0.00 O ATOM 1610 CB LYS A 52 4.108 -3.792 28.382 1.00 0.00 C ATOM 1611 CG LYS A 52 5.438 -3.134 27.946 1.00 0.00 C ATOM 1612 CD LYS A 52 6.639 -3.976 28.401 1.00 0.00 C ATOM 1613 CE LYS A 52 7.932 -3.200 28.149 1.00 0.00 C ATOM 1614 NZ LYS A 52 9.096 -4.054 28.515 1.00 0.00 N ATOM 0 H LYS A 52 1.982 -5.014 28.689 1.00 0.00 H new ATOM 0 HA LYS A 52 3.160 -3.904 26.435 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.416 -3.024 28.726 1.00 0.00 H new ATOM 0 HB3 LYS A 52 4.289 -4.458 29.226 1.00 0.00 H new ATOM 0 HG2 LYS A 52 5.456 -3.023 26.862 1.00 0.00 H new ATOM 0 HG3 LYS A 52 5.509 -2.132 28.370 1.00 0.00 H new ATOM 0 HD2 LYS A 52 6.547 -4.216 29.460 1.00 0.00 H new ATOM 0 HD3 LYS A 52 6.659 -4.922 27.860 1.00 0.00 H new ATOM 0 HE2 LYS A 52 7.996 -2.907 27.101 1.00 0.00 H new ATOM 0 HE3 LYS A 52 7.940 -2.282 28.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 9.516 -3.707 29.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 8.779 -5.036 28.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 9.807 -4.015 27.757 1.00 0.00 H new ATOM 1628 N THR A 53 5.274 -5.099 25.718 1.00 0.00 N ATOM 1629 CA THR A 53 6.328 -5.945 25.092 1.00 0.00 C ATOM 1630 C THR A 53 7.496 -5.034 24.725 1.00 0.00 C ATOM 1631 O THR A 53 7.376 -3.826 24.767 1.00 0.00 O ATOM 1632 CB THR A 53 5.788 -6.616 23.827 1.00 0.00 C ATOM 1633 OG1 THR A 53 6.872 -7.129 23.065 1.00 0.00 O ATOM 1634 CG2 THR A 53 5.009 -5.595 22.996 1.00 0.00 C ATOM 0 H THR A 53 5.232 -4.144 25.361 1.00 0.00 H new ATOM 0 HA THR A 53 6.644 -6.724 25.786 1.00 0.00 H new ATOM 0 HB THR A 53 5.122 -7.433 24.105 1.00 0.00 H new ATOM 0 HG1 THR A 53 6.698 -6.986 22.111 1.00 0.00 H new ATOM 0 HG21 THR A 53 4.626 -6.075 22.096 1.00 0.00 H new ATOM 0 HG22 THR A 53 4.177 -5.207 23.583 1.00 0.00 H new ATOM 0 HG23 THR A 53 5.669 -4.774 22.716 1.00 0.00 H new ATOM 1642 N ASP A 54 8.623 -5.587 24.370 1.00 0.00 N ATOM 1643 CA ASP A 54 9.793 -4.732 24.005 1.00 0.00 C ATOM 1644 C ASP A 54 9.857 -4.596 22.484 1.00 0.00 C ATOM 1645 O ASP A 54 10.767 -4.001 21.940 1.00 0.00 O ATOM 1646 CB ASP A 54 11.079 -5.377 24.525 1.00 0.00 C ATOM 1647 CG ASP A 54 11.106 -5.282 26.052 1.00 0.00 C ATOM 1648 OD1 ASP A 54 10.484 -4.373 26.576 1.00 0.00 O ATOM 1649 OD2 ASP A 54 11.750 -6.114 26.669 1.00 0.00 O ATOM 0 H ASP A 54 8.786 -6.592 24.316 1.00 0.00 H new ATOM 0 HA ASP A 54 9.684 -3.745 24.454 1.00 0.00 H new ATOM 0 HB2 ASP A 54 11.129 -6.420 24.212 1.00 0.00 H new ATOM 0 HB3 ASP A 54 11.949 -4.875 24.102 1.00 0.00 H new ATOM 1654 N VAL A 55 8.878 -5.131 21.802 1.00 0.00 N ATOM 1655 CA VAL A 55 8.830 -5.039 20.312 1.00 0.00 C ATOM 1656 C VAL A 55 7.570 -4.263 19.925 1.00 0.00 C ATOM 1657 O VAL A 55 6.491 -4.529 20.417 1.00 0.00 O ATOM 1658 CB VAL A 55 8.784 -6.445 19.709 1.00 0.00 C ATOM 1659 CG1 VAL A 55 8.769 -6.352 18.179 1.00 0.00 C ATOM 1660 CG2 VAL A 55 10.020 -7.227 20.158 1.00 0.00 C ATOM 0 H VAL A 55 8.097 -5.636 22.221 1.00 0.00 H new ATOM 0 HA VAL A 55 9.716 -4.529 19.934 1.00 0.00 H new ATOM 0 HB VAL A 55 7.882 -6.955 20.047 1.00 0.00 H new ATOM 0 HG11 VAL A 55 8.736 -7.355 17.754 1.00 0.00 H new ATOM 0 HG12 VAL A 55 7.891 -5.793 17.857 1.00 0.00 H new ATOM 0 HG13 VAL A 55 9.669 -5.842 17.837 1.00 0.00 H new ATOM 0 HG21 VAL A 55 9.991 -8.229 19.731 1.00 0.00 H new ATOM 0 HG22 VAL A 55 10.919 -6.713 19.818 1.00 0.00 H new ATOM 0 HG23 VAL A 55 10.031 -7.296 21.246 1.00 0.00 H new ATOM 1670 N ILE A 56 7.704 -3.310 19.041 1.00 0.00 N ATOM 1671 CA ILE A 56 6.529 -2.499 18.596 1.00 0.00 C ATOM 1672 C ILE A 56 6.218 -2.843 17.138 1.00 0.00 C ATOM 1673 O ILE A 56 7.094 -2.850 16.297 1.00 0.00 O ATOM 1674 CB ILE A 56 6.859 -1.008 18.715 1.00 0.00 C ATOM 1675 CG1 ILE A 56 7.185 -0.682 20.176 1.00 0.00 C ATOM 1676 CG2 ILE A 56 5.650 -0.182 18.261 1.00 0.00 C ATOM 1677 CD1 ILE A 56 7.756 0.735 20.274 1.00 0.00 C ATOM 0 H ILE A 56 8.589 -3.055 18.602 1.00 0.00 H new ATOM 0 HA ILE A 56 5.665 -2.722 19.222 1.00 0.00 H new ATOM 0 HB ILE A 56 7.717 -0.768 18.087 1.00 0.00 H new ATOM 0 HG12 ILE A 56 6.286 -0.765 20.786 1.00 0.00 H new ATOM 0 HG13 ILE A 56 7.904 -1.402 20.568 1.00 0.00 H new ATOM 0 HG21 ILE A 56 5.882 0.880 18.345 1.00 0.00 H new ATOM 0 HG22 ILE A 56 5.415 -0.421 17.224 1.00 0.00 H new ATOM 0 HG23 ILE A 56 4.792 -0.416 18.891 1.00 0.00 H new ATOM 0 HD11 ILE A 56 7.987 0.963 21.315 1.00 0.00 H new ATOM 0 HD12 ILE A 56 8.666 0.803 19.677 1.00 0.00 H new ATOM 0 HD13 ILE A 56 7.023 1.449 19.900 1.00 0.00 H new ATOM 1689 N LYS A 57 4.985 -3.141 16.829 1.00 0.00 N ATOM 1690 CA LYS A 57 4.643 -3.493 15.422 1.00 0.00 C ATOM 1691 C LYS A 57 4.533 -2.214 14.594 1.00 0.00 C ATOM 1692 O LYS A 57 3.894 -1.258 14.986 1.00 0.00 O ATOM 1693 CB LYS A 57 3.312 -4.246 15.382 1.00 0.00 C ATOM 1694 CG LYS A 57 3.067 -4.757 13.961 1.00 0.00 C ATOM 1695 CD LYS A 57 1.823 -5.647 13.943 1.00 0.00 C ATOM 1696 CE LYS A 57 1.469 -6.002 12.497 1.00 0.00 C ATOM 1697 NZ LYS A 57 2.556 -6.832 11.904 1.00 0.00 N ATOM 0 H LYS A 57 4.205 -3.156 17.486 1.00 0.00 H new ATOM 0 HA LYS A 57 5.425 -4.131 15.009 1.00 0.00 H new ATOM 0 HB2 LYS A 57 3.331 -5.080 16.083 1.00 0.00 H new ATOM 0 HB3 LYS A 57 2.499 -3.589 15.690 1.00 0.00 H new ATOM 0 HG2 LYS A 57 2.935 -3.917 13.279 1.00 0.00 H new ATOM 0 HG3 LYS A 57 3.933 -5.318 13.611 1.00 0.00 H new ATOM 0 HD2 LYS A 57 2.005 -6.555 14.517 1.00 0.00 H new ATOM 0 HD3 LYS A 57 0.988 -5.132 14.417 1.00 0.00 H new ATOM 0 HE2 LYS A 57 0.525 -6.546 12.466 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.332 -5.093 11.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 2.224 -7.254 11.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 3.386 -6.234 11.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 2.817 -7.588 12.569 1.00 0.00 H new ATOM 1711 N LYS A 58 5.166 -2.188 13.454 1.00 0.00 N ATOM 1712 CA LYS A 58 5.118 -0.969 12.598 1.00 0.00 C ATOM 1713 C LYS A 58 3.850 -0.988 11.745 1.00 0.00 C ATOM 1714 O LYS A 58 3.596 -1.923 11.012 1.00 0.00 O ATOM 1715 CB LYS A 58 6.348 -0.956 11.689 1.00 0.00 C ATOM 1716 CG LYS A 58 7.608 -0.936 12.557 1.00 0.00 C ATOM 1717 CD LYS A 58 8.853 -0.922 11.668 1.00 0.00 C ATOM 1718 CE LYS A 58 10.102 -0.903 12.549 1.00 0.00 C ATOM 1719 NZ LYS A 58 10.138 0.359 13.340 1.00 0.00 N ATOM 0 H LYS A 58 5.716 -2.960 13.077 1.00 0.00 H new ATOM 0 HA LYS A 58 5.111 -0.077 13.225 1.00 0.00 H new ATOM 0 HB2 LYS A 58 6.349 -1.835 11.044 1.00 0.00 H new ATOM 0 HB3 LYS A 58 6.326 -0.082 11.037 1.00 0.00 H new ATOM 0 HG2 LYS A 58 7.602 -0.058 13.202 1.00 0.00 H new ATOM 0 HG3 LYS A 58 7.625 -1.810 13.208 1.00 0.00 H new ATOM 0 HD2 LYS A 58 8.863 -1.800 11.022 1.00 0.00 H new ATOM 0 HD3 LYS A 58 8.840 -0.048 11.017 1.00 0.00 H new ATOM 0 HE2 LYS A 58 10.100 -1.763 13.218 1.00 0.00 H new ATOM 0 HE3 LYS A 58 10.996 -0.982 11.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 11.106 0.527 13.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 9.840 1.154 12.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 9.494 0.278 14.152 1.00 0.00 H new ATOM 1733 N ARG A 59 3.042 0.034 11.845 1.00 0.00 N ATOM 1734 CA ARG A 59 1.778 0.077 11.056 1.00 0.00 C ATOM 1735 C ARG A 59 2.038 0.838 9.757 1.00 0.00 C ATOM 1736 O ARG A 59 3.115 1.358 9.535 1.00 0.00 O ATOM 1737 CB ARG A 59 0.697 0.823 11.848 1.00 0.00 C ATOM 1738 CG ARG A 59 0.525 0.217 13.247 1.00 0.00 C ATOM 1739 CD ARG A 59 -0.338 -1.047 13.178 1.00 0.00 C ATOM 1740 NE ARG A 59 -0.488 -1.610 14.551 1.00 0.00 N ATOM 1741 CZ ARG A 59 -1.402 -2.509 14.791 1.00 0.00 C ATOM 1742 NH1 ARG A 59 -2.185 -2.920 13.831 1.00 0.00 N ATOM 1743 NH2 ARG A 59 -1.535 -2.997 15.994 1.00 0.00 N ATOM 0 H ARG A 59 3.205 0.844 12.443 1.00 0.00 H new ATOM 0 HA ARG A 59 1.445 -0.940 10.848 1.00 0.00 H new ATOM 0 HB2 ARG A 59 0.966 1.876 11.934 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -0.250 0.778 11.309 1.00 0.00 H new ATOM 0 HG2 ARG A 59 1.501 -0.024 13.669 1.00 0.00 H new ATOM 0 HG3 ARG A 59 0.061 0.946 13.912 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -1.316 -0.812 12.759 1.00 0.00 H new ATOM 0 HD3 ARG A 59 0.123 -1.782 12.518 1.00 0.00 H new ATOM 0 HE ARG A 59 0.124 -1.292 15.302 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -2.083 -2.538 12.891 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -2.899 -3.623 14.021 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -0.925 -2.675 16.745 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -2.249 -3.700 16.183 1.00 0.00 H new ATOM 1757 N ASN A 60 1.073 0.883 8.884 1.00 0.00 N ATOM 1758 CA ASN A 60 1.273 1.584 7.588 1.00 0.00 C ATOM 1759 C ASN A 60 1.211 3.096 7.802 1.00 0.00 C ATOM 1760 O ASN A 60 1.241 3.577 8.917 1.00 0.00 O ATOM 1761 CB ASN A 60 0.181 1.150 6.610 1.00 0.00 C ATOM 1762 CG ASN A 60 0.443 -0.292 6.171 1.00 0.00 C ATOM 1763 OD1 ASN A 60 1.579 -0.722 6.106 1.00 0.00 O ATOM 1764 ND2 ASN A 60 -0.564 -1.067 5.871 1.00 0.00 N ATOM 0 H ASN A 60 0.152 0.463 9.013 1.00 0.00 H new ATOM 0 HA ASN A 60 2.250 1.327 7.179 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -0.798 1.227 7.082 1.00 0.00 H new ATOM 0 HB3 ASN A 60 0.169 1.810 5.743 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -0.397 -2.031 5.583 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -1.517 -0.708 5.925 1.00 0.00 H new