USER MOD reduce.3.24.130724 H: found=0, std=0, add=411, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 407 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 12 CYS SG : rot 159:sc= 1.64 USER MOD Set 1.2: A 15 CYS SG : rot -59:sc= 0.664 USER MOD Set 1.3: A 17 THR OG1 : rot 88:sc= -0.304! USER MOD Set 1.4: A 33 CYS SG : rot -133:sc= 1.42 USER MOD Set 1.5: A 36 CYS SG : rot 142:sc= 0.0249 USER MOD Set 2.1: A 11 THR OG1 : rot 39:sc= 0.0302 USER MOD Set 2.2: A 18 GLN : amide:sc=-0.00103 K(o=0.029,f=-1.4!) USER MOD Single : A 13 THR OG1 : rot -81:sc= 0.118 USER MOD Single : A 14 ASN : amide:sc= -2.84 K(o=-2.8,f=-5!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot -128:sc= -0.491 USER MOD Single : A 26 ASN : amide:sc= -1.01 X(o=-1,f=-0.96) USER MOD Single : A 30 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 34 ASN : amide:sc= -5.77! C(o=-5.8!,f=-13!) USER MOD Single : A 41 LYS NZ :NH3+ 159:sc= -0.043 (180deg=-0.486) USER MOD Single : A 43 HIS : no HE2:sc= -10.1! C(o=-10!,f=-12!) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.0842 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -159:sc= -0.231 (180deg=-0.975) USER MOD Single : A 60 ASN : amide:sc= -0.168 X(o=-0.17,f=0) USER MOD ----------------------------------------------------------------- ATOM 970 N THR A 11 11.958 6.717 30.959 1.00 0.00 N ATOM 971 CA THR A 11 11.472 5.306 30.999 1.00 0.00 C ATOM 972 C THR A 11 9.998 5.297 31.409 1.00 0.00 C ATOM 973 O THR A 11 9.604 5.966 32.343 1.00 0.00 O ATOM 974 CB THR A 11 12.305 4.534 32.024 1.00 0.00 C ATOM 975 OG1 THR A 11 13.636 4.417 31.543 1.00 0.00 O ATOM 976 CG2 THR A 11 11.714 3.140 32.249 1.00 0.00 C ATOM 0 HA THR A 11 11.572 4.839 30.019 1.00 0.00 H new ATOM 0 HB THR A 11 12.298 5.071 32.972 1.00 0.00 H new ATOM 0 HG1 THR A 11 13.901 5.253 31.106 1.00 0.00 H new ATOM 0 HG21 THR A 11 12.317 2.603 32.981 1.00 0.00 H new ATOM 0 HG22 THR A 11 10.693 3.233 32.619 1.00 0.00 H new ATOM 0 HG23 THR A 11 11.710 2.590 31.308 1.00 0.00 H new ATOM 984 N CYS A 12 9.176 4.561 30.712 1.00 0.00 N ATOM 985 CA CYS A 12 7.729 4.538 31.066 1.00 0.00 C ATOM 986 C CYS A 12 7.545 4.077 32.511 1.00 0.00 C ATOM 987 O CYS A 12 7.793 2.937 32.851 1.00 0.00 O ATOM 988 CB CYS A 12 6.977 3.596 30.134 1.00 0.00 C ATOM 989 SG CYS A 12 5.212 3.965 30.254 1.00 0.00 S ATOM 0 H CYS A 12 9.442 3.978 29.918 1.00 0.00 H new ATOM 0 HA CYS A 12 7.331 5.547 30.958 1.00 0.00 H new ATOM 0 HB2 CYS A 12 7.322 3.722 29.108 1.00 0.00 H new ATOM 0 HB3 CYS A 12 7.167 2.559 30.409 1.00 0.00 H new ATOM 0 HG CYS A 12 4.605 3.532 29.189 1.00 0.00 H new ATOM 994 N THR A 13 7.100 4.961 33.357 1.00 0.00 N ATOM 995 CA THR A 13 6.895 4.600 34.787 1.00 0.00 C ATOM 996 C THR A 13 5.764 3.585 34.933 1.00 0.00 C ATOM 997 O THR A 13 5.559 3.039 35.998 1.00 0.00 O ATOM 998 CB THR A 13 6.547 5.856 35.584 1.00 0.00 C ATOM 999 OG1 THR A 13 5.396 6.471 35.023 1.00 0.00 O ATOM 1000 CG2 THR A 13 7.726 6.830 35.541 1.00 0.00 C ATOM 0 H THR A 13 6.868 5.925 33.118 1.00 0.00 H new ATOM 0 HA THR A 13 7.816 4.157 35.167 1.00 0.00 H new ATOM 0 HB THR A 13 6.341 5.585 36.619 1.00 0.00 H new ATOM 0 HG1 THR A 13 5.658 7.011 34.248 1.00 0.00 H new ATOM 0 HG21 THR A 13 7.478 7.726 36.109 1.00 0.00 H new ATOM 0 HG22 THR A 13 8.606 6.356 35.976 1.00 0.00 H new ATOM 0 HG23 THR A 13 7.935 7.103 34.507 1.00 0.00 H new ATOM 1008 N ASN A 14 5.013 3.334 33.893 1.00 0.00 N ATOM 1009 CA ASN A 14 3.884 2.362 34.001 1.00 0.00 C ATOM 1010 C ASN A 14 4.267 1.009 33.403 1.00 0.00 C ATOM 1011 O ASN A 14 3.793 -0.013 33.853 1.00 0.00 O ATOM 1012 CB ASN A 14 2.674 2.913 33.247 1.00 0.00 C ATOM 1013 CG ASN A 14 2.039 4.034 34.067 1.00 0.00 C ATOM 1014 OD1 ASN A 14 2.558 4.422 35.094 1.00 0.00 O ATOM 1015 ND2 ASN A 14 0.923 4.570 33.657 1.00 0.00 N ATOM 0 H ASN A 14 5.132 3.760 32.974 1.00 0.00 H new ATOM 0 HA ASN A 14 3.647 2.223 35.056 1.00 0.00 H new ATOM 0 HB2 ASN A 14 2.979 3.289 32.270 1.00 0.00 H new ATOM 0 HB3 ASN A 14 1.948 2.119 33.071 1.00 0.00 H new ATOM 0 HD21 ASN A 14 0.486 5.315 34.199 1.00 0.00 H new ATOM 0 HD22 ASN A 14 0.487 4.244 32.794 1.00 0.00 H new ATOM 1022 N CYS A 15 5.096 0.977 32.386 1.00 0.00 N ATOM 1023 CA CYS A 15 5.468 -0.339 31.771 1.00 0.00 C ATOM 1024 C CYS A 15 6.961 -0.371 31.456 1.00 0.00 C ATOM 1025 O CYS A 15 7.437 -1.255 30.775 1.00 0.00 O ATOM 1026 CB CYS A 15 4.656 -0.573 30.492 1.00 0.00 C ATOM 1027 SG CYS A 15 5.299 0.428 29.128 1.00 0.00 S ATOM 0 H CYS A 15 5.528 1.796 31.958 1.00 0.00 H new ATOM 0 HA CYS A 15 5.242 -1.133 32.482 1.00 0.00 H new ATOM 0 HB2 CYS A 15 4.691 -1.628 30.222 1.00 0.00 H new ATOM 0 HB3 CYS A 15 3.610 -0.324 30.670 1.00 0.00 H new ATOM 0 HG CYS A 15 5.250 1.686 29.452 1.00 0.00 H new ATOM 1032 N PHE A 16 7.703 0.572 31.966 1.00 0.00 N ATOM 1033 CA PHE A 16 9.174 0.591 31.734 1.00 0.00 C ATOM 1034 C PHE A 16 9.523 0.624 30.243 1.00 0.00 C ATOM 1035 O PHE A 16 10.680 0.536 29.884 1.00 0.00 O ATOM 1036 CB PHE A 16 9.818 -0.636 32.379 1.00 0.00 C ATOM 1037 CG PHE A 16 9.636 -0.568 33.874 1.00 0.00 C ATOM 1038 CD1 PHE A 16 10.507 0.210 34.644 1.00 0.00 C ATOM 1039 CD2 PHE A 16 8.605 -1.285 34.490 1.00 0.00 C ATOM 1040 CE1 PHE A 16 10.347 0.270 36.032 1.00 0.00 C ATOM 1041 CE2 PHE A 16 8.446 -1.228 35.878 1.00 0.00 C ATOM 1042 CZ PHE A 16 9.318 -0.450 36.650 1.00 0.00 C ATOM 0 H PHE A 16 7.349 1.338 32.539 1.00 0.00 H new ATOM 0 HA PHE A 16 9.563 1.502 32.188 1.00 0.00 H new ATOM 0 HB2 PHE A 16 9.365 -1.547 31.987 1.00 0.00 H new ATOM 0 HB3 PHE A 16 10.879 -0.676 32.132 1.00 0.00 H new ATOM 0 HD1 PHE A 16 11.302 0.764 34.167 1.00 0.00 H new ATOM 0 HD2 PHE A 16 7.932 -1.883 33.893 1.00 0.00 H new ATOM 0 HE1 PHE A 16 11.018 0.872 36.627 1.00 0.00 H new ATOM 0 HE2 PHE A 16 7.652 -1.783 36.354 1.00 0.00 H new ATOM 0 HZ PHE A 16 9.196 -0.406 37.722 1.00 0.00 H new ATOM 1052 N THR A 17 8.566 0.723 29.363 1.00 0.00 N ATOM 1053 CA THR A 17 8.924 0.734 27.916 1.00 0.00 C ATOM 1054 C THR A 17 9.890 1.890 27.643 1.00 0.00 C ATOM 1055 O THR A 17 9.620 3.026 27.970 1.00 0.00 O ATOM 1056 CB THR A 17 7.654 0.928 27.076 1.00 0.00 C ATOM 1057 OG1 THR A 17 6.894 -0.272 27.079 1.00 0.00 O ATOM 1058 CG2 THR A 17 8.022 1.292 25.634 1.00 0.00 C ATOM 0 H THR A 17 7.571 0.795 29.575 1.00 0.00 H new ATOM 0 HA THR A 17 9.396 -0.212 27.651 1.00 0.00 H new ATOM 0 HB THR A 17 7.066 1.738 27.508 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.284 -0.271 27.846 1.00 0.00 H new ATOM 0 HG21 THR A 17 7.112 1.427 25.049 1.00 0.00 H new ATOM 0 HG22 THR A 17 8.598 2.218 25.628 1.00 0.00 H new ATOM 0 HG23 THR A 17 8.619 0.491 25.197 1.00 0.00 H new ATOM 1066 N GLN A 18 11.011 1.600 27.031 1.00 0.00 N ATOM 1067 CA GLN A 18 12.009 2.664 26.705 1.00 0.00 C ATOM 1068 C GLN A 18 11.922 2.995 25.216 1.00 0.00 C ATOM 1069 O GLN A 18 12.478 3.973 24.756 1.00 0.00 O ATOM 1070 CB GLN A 18 13.419 2.163 27.019 1.00 0.00 C ATOM 1071 CG GLN A 18 13.608 2.068 28.531 1.00 0.00 C ATOM 1072 CD GLN A 18 15.003 1.522 28.836 1.00 0.00 C ATOM 1073 OE1 GLN A 18 15.634 0.923 27.986 1.00 0.00 O ATOM 1074 NE2 GLN A 18 15.514 1.705 30.023 1.00 0.00 N ATOM 0 H GLN A 18 11.280 0.660 26.740 1.00 0.00 H new ATOM 0 HA GLN A 18 11.796 3.552 27.300 1.00 0.00 H new ATOM 0 HB2 GLN A 18 13.579 1.187 26.561 1.00 0.00 H new ATOM 0 HB3 GLN A 18 14.159 2.840 26.592 1.00 0.00 H new ATOM 0 HG2 GLN A 18 13.483 3.050 28.987 1.00 0.00 H new ATOM 0 HG3 GLN A 18 12.848 1.417 28.963 1.00 0.00 H new ATOM 0 HE21 GLN A 18 14.984 2.208 30.735 1.00 0.00 H new ATOM 0 HE22 GLN A 18 16.444 1.346 30.239 1.00 0.00 H new ATOM 1083 N THR A 19 11.226 2.183 24.463 1.00 0.00 N ATOM 1084 CA THR A 19 11.084 2.426 22.996 1.00 0.00 C ATOM 1085 C THR A 19 9.637 2.821 22.709 1.00 0.00 C ATOM 1086 O THR A 19 8.714 2.117 23.066 1.00 0.00 O ATOM 1087 CB THR A 19 11.425 1.141 22.235 1.00 0.00 C ATOM 1088 OG1 THR A 19 12.745 0.733 22.571 1.00 0.00 O ATOM 1089 CG2 THR A 19 11.338 1.395 20.730 1.00 0.00 C ATOM 0 H THR A 19 10.744 1.352 24.806 1.00 0.00 H new ATOM 0 HA THR A 19 11.758 3.221 22.678 1.00 0.00 H new ATOM 0 HB THR A 19 10.718 0.358 22.509 1.00 0.00 H new ATOM 0 HG1 THR A 19 12.966 -0.090 22.087 1.00 0.00 H new ATOM 0 HG21 THR A 19 11.581 0.479 20.192 1.00 0.00 H new ATOM 0 HG22 THR A 19 10.327 1.710 20.472 1.00 0.00 H new ATOM 0 HG23 THR A 19 12.044 2.178 20.452 1.00 0.00 H new ATOM 1097 N THR A 20 9.425 3.942 22.076 1.00 0.00 N ATOM 1098 CA THR A 20 8.028 4.369 21.786 1.00 0.00 C ATOM 1099 C THR A 20 8.026 5.457 20.707 1.00 0.00 C ATOM 1100 O THR A 20 8.953 6.239 20.611 1.00 0.00 O ATOM 1101 CB THR A 20 7.403 4.940 23.062 1.00 0.00 C ATOM 1102 OG1 THR A 20 6.226 5.667 22.737 1.00 0.00 O ATOM 1103 CG2 THR A 20 8.401 5.879 23.744 1.00 0.00 C ATOM 0 H THR A 20 10.153 4.577 21.749 1.00 0.00 H new ATOM 0 HA THR A 20 7.457 3.509 21.436 1.00 0.00 H new ATOM 0 HB THR A 20 7.150 4.120 23.734 1.00 0.00 H new ATOM 0 HG1 THR A 20 6.274 6.562 23.133 1.00 0.00 H new ATOM 0 HG21 THR A 20 7.956 6.285 24.652 1.00 0.00 H new ATOM 0 HG22 THR A 20 9.305 5.326 23.999 1.00 0.00 H new ATOM 0 HG23 THR A 20 8.654 6.695 23.067 1.00 0.00 H new ATOM 1111 N PRO A 21 6.989 5.526 19.910 1.00 0.00 N ATOM 1112 CA PRO A 21 6.871 6.560 18.841 1.00 0.00 C ATOM 1113 C PRO A 21 6.684 7.964 19.428 1.00 0.00 C ATOM 1114 O PRO A 21 6.965 8.955 18.786 1.00 0.00 O ATOM 1115 CB PRO A 21 5.634 6.122 18.042 1.00 0.00 C ATOM 1116 CG PRO A 21 4.817 5.328 19.007 1.00 0.00 C ATOM 1117 CD PRO A 21 5.818 4.629 19.925 1.00 0.00 C ATOM 0 HA PRO A 21 7.769 6.626 18.227 1.00 0.00 H new ATOM 0 HB2 PRO A 21 5.079 6.983 17.669 1.00 0.00 H new ATOM 0 HB3 PRO A 21 5.915 5.523 17.175 1.00 0.00 H new ATOM 0 HG2 PRO A 21 4.149 5.973 19.577 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.192 4.603 18.486 1.00 0.00 H new ATOM 0 HD2 PRO A 21 5.420 4.506 20.932 1.00 0.00 H new ATOM 0 HD3 PRO A 21 6.071 3.634 19.559 1.00 0.00 H new ATOM 1125 N VAL A 22 6.207 8.060 20.641 1.00 0.00 N ATOM 1126 CA VAL A 22 6.015 9.412 21.238 1.00 0.00 C ATOM 1127 C VAL A 22 5.759 9.298 22.743 1.00 0.00 C ATOM 1128 O VAL A 22 5.043 8.430 23.205 1.00 0.00 O ATOM 1129 CB VAL A 22 4.840 10.110 20.546 1.00 0.00 C ATOM 1130 CG1 VAL A 22 3.577 9.257 20.673 1.00 0.00 C ATOM 1131 CG2 VAL A 22 4.599 11.477 21.192 1.00 0.00 C ATOM 0 H VAL A 22 5.946 7.273 21.236 1.00 0.00 H new ATOM 0 HA VAL A 22 6.919 10.003 21.091 1.00 0.00 H new ATOM 0 HB VAL A 22 5.078 10.243 19.491 1.00 0.00 H new ATOM 0 HG11 VAL A 22 2.747 9.761 20.178 1.00 0.00 H new ATOM 0 HG12 VAL A 22 3.744 8.287 20.204 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.339 9.114 21.727 1.00 0.00 H new ATOM 0 HG21 VAL A 22 3.763 11.971 20.697 1.00 0.00 H new ATOM 0 HG22 VAL A 22 4.368 11.344 22.249 1.00 0.00 H new ATOM 0 HG23 VAL A 22 5.494 12.090 21.090 1.00 0.00 H new ATOM 1141 N TRP A 23 6.357 10.174 23.508 1.00 0.00 N ATOM 1142 CA TRP A 23 6.180 10.137 24.989 1.00 0.00 C ATOM 1143 C TRP A 23 4.943 10.942 25.393 1.00 0.00 C ATOM 1144 O TRP A 23 4.712 12.034 24.913 1.00 0.00 O ATOM 1145 CB TRP A 23 7.418 10.729 25.666 1.00 0.00 C ATOM 1146 CG TRP A 23 8.561 9.780 25.522 1.00 0.00 C ATOM 1147 CD1 TRP A 23 9.564 9.898 24.621 1.00 0.00 C ATOM 1148 CD2 TRP A 23 8.833 8.568 26.279 1.00 0.00 C ATOM 1149 NE1 TRP A 23 10.439 8.841 24.785 1.00 0.00 N ATOM 1150 CE2 TRP A 23 10.031 7.991 25.793 1.00 0.00 C ATOM 1151 CE3 TRP A 23 8.164 7.920 27.332 1.00 0.00 C ATOM 1152 CZ2 TRP A 23 10.546 6.812 26.337 1.00 0.00 C ATOM 1153 CZ3 TRP A 23 8.677 6.735 27.879 1.00 0.00 C ATOM 1154 CH2 TRP A 23 9.865 6.181 27.383 1.00 0.00 C ATOM 0 H TRP A 23 6.965 10.919 23.167 1.00 0.00 H new ATOM 0 HA TRP A 23 6.048 9.102 25.305 1.00 0.00 H new ATOM 0 HB2 TRP A 23 7.669 11.689 25.215 1.00 0.00 H new ATOM 0 HB3 TRP A 23 7.216 10.915 26.721 1.00 0.00 H new ATOM 0 HD1 TRP A 23 9.664 10.689 23.893 1.00 0.00 H new ATOM 0 HE1 TRP A 23 11.283 8.706 24.229 1.00 0.00 H new ATOM 0 HE3 TRP A 23 7.248 8.338 27.723 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 11.463 6.391 25.953 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 8.153 6.246 28.687 1.00 0.00 H new ATOM 0 HH2 TRP A 23 10.254 5.268 27.808 1.00 0.00 H new ATOM 1165 N ARG A 24 4.147 10.397 26.277 1.00 0.00 N ATOM 1166 CA ARG A 24 2.906 11.097 26.732 1.00 0.00 C ATOM 1167 C ARG A 24 3.149 11.755 28.097 1.00 0.00 C ATOM 1168 O ARG A 24 4.116 11.466 28.774 1.00 0.00 O ATOM 1169 CB ARG A 24 1.774 10.068 26.874 1.00 0.00 C ATOM 1170 CG ARG A 24 1.324 9.550 25.498 1.00 0.00 C ATOM 1171 CD ARG A 24 0.293 10.499 24.875 1.00 0.00 C ATOM 1172 NE ARG A 24 0.081 10.138 23.445 1.00 0.00 N ATOM 1173 CZ ARG A 24 -0.961 10.594 22.807 1.00 0.00 C ATOM 1174 NH1 ARG A 24 -1.821 11.357 23.424 1.00 0.00 N ATOM 1175 NH2 ARG A 24 -1.142 10.285 21.553 1.00 0.00 N ATOM 0 H ARG A 24 4.305 9.486 26.708 1.00 0.00 H new ATOM 0 HA ARG A 24 2.636 11.860 26.002 1.00 0.00 H new ATOM 0 HB2 ARG A 24 2.112 9.233 27.488 1.00 0.00 H new ATOM 0 HB3 ARG A 24 0.928 10.522 27.390 1.00 0.00 H new ATOM 0 HG2 ARG A 24 2.187 9.458 24.838 1.00 0.00 H new ATOM 0 HG3 ARG A 24 0.894 8.554 25.601 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -0.649 10.437 25.420 1.00 0.00 H new ATOM 0 HD3 ARG A 24 0.639 11.530 24.953 1.00 0.00 H new ATOM 0 HE ARG A 24 0.750 9.535 22.966 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -1.678 11.597 24.405 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -2.636 11.714 22.925 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -0.469 9.688 21.073 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -1.956 10.641 21.053 1.00 0.00 H new ATOM 1189 N ARG A 25 2.258 12.626 28.504 1.00 0.00 N ATOM 1190 CA ARG A 25 2.389 13.312 29.829 1.00 0.00 C ATOM 1191 C ARG A 25 1.158 12.954 30.664 1.00 0.00 C ATOM 1192 O ARG A 25 0.096 12.707 30.129 1.00 0.00 O ATOM 1193 CB ARG A 25 2.432 14.831 29.631 1.00 0.00 C ATOM 1194 CG ARG A 25 3.537 15.201 28.634 1.00 0.00 C ATOM 1195 CD ARG A 25 4.910 15.069 29.298 1.00 0.00 C ATOM 1196 NE ARG A 25 5.956 15.627 28.400 1.00 0.00 N ATOM 1197 CZ ARG A 25 7.126 15.931 28.888 1.00 0.00 C ATOM 1198 NH1 ARG A 25 7.382 15.707 30.147 1.00 0.00 N ATOM 1199 NH2 ARG A 25 8.043 16.441 28.112 1.00 0.00 N ATOM 0 H ARG A 25 1.434 12.895 27.967 1.00 0.00 H new ATOM 0 HA ARG A 25 3.306 12.994 30.326 1.00 0.00 H new ATOM 0 HB2 ARG A 25 1.468 15.185 29.266 1.00 0.00 H new ATOM 0 HB3 ARG A 25 2.612 15.325 30.586 1.00 0.00 H new ATOM 0 HG2 ARG A 25 3.483 14.551 27.761 1.00 0.00 H new ATOM 0 HG3 ARG A 25 3.392 16.222 28.281 1.00 0.00 H new ATOM 0 HD2 ARG A 25 4.916 15.597 30.252 1.00 0.00 H new ATOM 0 HD3 ARG A 25 5.122 14.022 29.512 1.00 0.00 H new ATOM 0 HE ARG A 25 5.759 15.771 27.410 1.00 0.00 H new ATOM 0 HH11 ARG A 25 6.668 15.295 30.747 1.00 0.00 H new ATOM 0 HH12 ARG A 25 8.297 15.944 30.531 1.00 0.00 H new ATOM 0 HH21 ARG A 25 7.844 16.601 27.125 1.00 0.00 H new ATOM 0 HH22 ARG A 25 8.959 16.679 28.493 1.00 0.00 H new ATOM 1213 N ASN A 26 1.302 12.890 31.963 1.00 0.00 N ATOM 1214 CA ASN A 26 0.154 12.510 32.843 1.00 0.00 C ATOM 1215 C ASN A 26 -0.161 13.662 33.811 1.00 0.00 C ATOM 1216 O ASN A 26 0.740 14.340 34.258 1.00 0.00 O ATOM 1217 CB ASN A 26 0.586 11.276 33.648 1.00 0.00 C ATOM 1218 CG ASN A 26 -0.637 10.532 34.185 1.00 0.00 C ATOM 1219 OD1 ASN A 26 -1.283 9.801 33.463 1.00 0.00 O ATOM 1220 ND2 ASN A 26 -0.985 10.693 35.433 1.00 0.00 N ATOM 0 H ASN A 26 2.173 13.086 32.456 1.00 0.00 H new ATOM 0 HA ASN A 26 -0.735 12.300 32.248 1.00 0.00 H new ATOM 0 HB2 ASN A 26 1.175 10.611 33.017 1.00 0.00 H new ATOM 0 HB3 ASN A 26 1.226 11.580 34.476 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -1.801 10.204 35.802 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -0.441 11.308 36.039 1.00 0.00 H new ATOM 1227 N PRO A 27 -1.410 13.888 34.164 1.00 0.00 N ATOM 1228 CA PRO A 27 -1.765 14.971 35.130 1.00 0.00 C ATOM 1229 C PRO A 27 -0.847 14.979 36.363 1.00 0.00 C ATOM 1230 O PRO A 27 -0.890 15.884 37.173 1.00 0.00 O ATOM 1231 CB PRO A 27 -3.206 14.634 35.532 1.00 0.00 C ATOM 1232 CG PRO A 27 -3.780 13.947 34.338 1.00 0.00 C ATOM 1233 CD PRO A 27 -2.621 13.181 33.688 1.00 0.00 C ATOM 0 HA PRO A 27 -1.654 15.962 34.689 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -3.232 13.989 36.411 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -3.769 15.534 35.780 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -4.582 13.268 34.628 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -4.209 14.668 33.642 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -2.616 12.134 33.990 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -2.691 13.199 32.600 1.00 0.00 H new ATOM 1241 N GLU A 28 -0.008 13.983 36.507 1.00 0.00 N ATOM 1242 CA GLU A 28 0.924 13.933 37.678 1.00 0.00 C ATOM 1243 C GLU A 28 2.320 14.383 37.246 1.00 0.00 C ATOM 1244 O GLU A 28 3.185 14.633 38.062 1.00 0.00 O ATOM 1245 CB GLU A 28 1.023 12.496 38.185 1.00 0.00 C ATOM 1246 CG GLU A 28 -0.311 12.071 38.793 1.00 0.00 C ATOM 1247 CD GLU A 28 -0.188 10.645 39.332 1.00 0.00 C ATOM 1248 OE1 GLU A 28 -0.362 9.720 38.555 1.00 0.00 O ATOM 1249 OE2 GLU A 28 0.085 10.502 40.513 1.00 0.00 O ATOM 0 H GLU A 28 0.072 13.198 35.861 1.00 0.00 H new ATOM 0 HA GLU A 28 0.544 14.589 38.461 1.00 0.00 H new ATOM 0 HB2 GLU A 28 1.289 11.829 37.365 1.00 0.00 H new ATOM 0 HB3 GLU A 28 1.815 12.417 38.930 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -0.592 12.753 39.596 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -1.099 12.122 38.042 1.00 0.00 H new ATOM 1256 N GLY A 29 2.551 14.453 35.967 1.00 0.00 N ATOM 1257 CA GLY A 29 3.894 14.848 35.464 1.00 0.00 C ATOM 1258 C GLY A 29 4.779 13.604 35.364 1.00 0.00 C ATOM 1259 O GLY A 29 5.977 13.698 35.174 1.00 0.00 O ATOM 0 H GLY A 29 1.862 14.252 35.243 1.00 0.00 H new ATOM 0 HA2 GLY A 29 3.804 15.325 34.488 1.00 0.00 H new ATOM 0 HA3 GLY A 29 4.347 15.578 36.135 1.00 0.00 H new ATOM 1263 N GLN A 30 4.196 12.435 35.467 1.00 0.00 N ATOM 1264 CA GLN A 30 4.992 11.178 35.352 1.00 0.00 C ATOM 1265 C GLN A 30 5.042 10.759 33.870 1.00 0.00 C ATOM 1266 O GLN A 30 4.015 10.453 33.299 1.00 0.00 O ATOM 1267 CB GLN A 30 4.311 10.073 36.165 1.00 0.00 C ATOM 1268 CG GLN A 30 4.359 10.440 37.651 1.00 0.00 C ATOM 1269 CD GLN A 30 3.694 9.336 38.477 1.00 0.00 C ATOM 1270 OE1 GLN A 30 2.980 8.511 37.945 1.00 0.00 O ATOM 1271 NE2 GLN A 30 3.898 9.291 39.766 1.00 0.00 N ATOM 0 H GLN A 30 3.198 12.299 35.627 1.00 0.00 H new ATOM 0 HA GLN A 30 6.002 11.339 35.730 1.00 0.00 H new ATOM 0 HB2 GLN A 30 3.277 9.951 35.841 1.00 0.00 H new ATOM 0 HB3 GLN A 30 4.812 9.120 35.997 1.00 0.00 H new ATOM 0 HG2 GLN A 30 5.393 10.573 37.969 1.00 0.00 H new ATOM 0 HG3 GLN A 30 3.850 11.389 37.818 1.00 0.00 H new ATOM 0 HE21 GLN A 30 4.498 9.985 40.212 1.00 0.00 H new ATOM 0 HE22 GLN A 30 3.457 8.562 40.327 1.00 0.00 H new ATOM 1280 N PRO A 31 6.196 10.731 33.235 1.00 0.00 N ATOM 1281 CA PRO A 31 6.292 10.326 31.795 1.00 0.00 C ATOM 1282 C PRO A 31 5.685 8.946 31.512 1.00 0.00 C ATOM 1283 O PRO A 31 5.819 8.020 32.286 1.00 0.00 O ATOM 1284 CB PRO A 31 7.804 10.297 31.526 1.00 0.00 C ATOM 1285 CG PRO A 31 8.388 11.234 32.528 1.00 0.00 C ATOM 1286 CD PRO A 31 7.519 11.101 33.776 1.00 0.00 C ATOM 0 HA PRO A 31 5.736 11.013 31.158 1.00 0.00 H new ATOM 0 HB2 PRO A 31 8.207 9.291 31.643 1.00 0.00 H new ATOM 0 HB3 PRO A 31 8.031 10.615 30.508 1.00 0.00 H new ATOM 0 HG2 PRO A 31 9.425 10.978 32.745 1.00 0.00 H new ATOM 0 HG3 PRO A 31 8.383 12.258 32.155 1.00 0.00 H new ATOM 0 HD2 PRO A 31 7.903 10.339 34.454 1.00 0.00 H new ATOM 0 HD3 PRO A 31 7.477 12.034 34.337 1.00 0.00 H new ATOM 1294 N LEU A 32 5.031 8.814 30.386 1.00 0.00 N ATOM 1295 CA LEU A 32 4.410 7.506 30.006 1.00 0.00 C ATOM 1296 C LEU A 32 4.634 7.244 28.511 1.00 0.00 C ATOM 1297 O LEU A 32 4.766 8.161 27.724 1.00 0.00 O ATOM 1298 CB LEU A 32 2.901 7.544 30.280 1.00 0.00 C ATOM 1299 CG LEU A 32 2.627 7.742 31.776 1.00 0.00 C ATOM 1300 CD1 LEU A 32 1.130 7.996 31.969 1.00 0.00 C ATOM 1301 CD2 LEU A 32 3.038 6.494 32.570 1.00 0.00 C ATOM 0 H LEU A 32 4.899 9.563 29.706 1.00 0.00 H new ATOM 0 HA LEU A 32 4.870 6.714 30.596 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.443 8.353 29.711 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.441 6.616 29.941 1.00 0.00 H new ATOM 0 HG LEU A 32 3.208 8.590 32.139 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.919 8.139 33.029 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.838 8.890 31.417 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.565 7.141 31.599 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.836 6.654 33.629 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.468 5.634 32.217 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.102 6.307 32.428 1.00 0.00 H new ATOM 1313 N CYS A 33 4.665 5.997 28.111 1.00 0.00 N ATOM 1314 CA CYS A 33 4.861 5.681 26.667 1.00 0.00 C ATOM 1315 C CYS A 33 3.549 5.947 25.934 1.00 0.00 C ATOM 1316 O CYS A 33 2.575 6.361 26.531 1.00 0.00 O ATOM 1317 CB CYS A 33 5.288 4.217 26.498 1.00 0.00 C ATOM 1318 SG CYS A 33 3.900 3.110 26.853 1.00 0.00 S ATOM 0 H CYS A 33 4.563 5.187 28.723 1.00 0.00 H new ATOM 0 HA CYS A 33 5.648 6.308 26.249 1.00 0.00 H new ATOM 0 HB2 CYS A 33 5.644 4.050 25.481 1.00 0.00 H new ATOM 0 HB3 CYS A 33 6.119 3.994 27.167 1.00 0.00 H new ATOM 0 HG CYS A 33 4.299 2.151 27.635 1.00 0.00 H new ATOM 1323 N ASN A 34 3.498 5.733 24.651 1.00 0.00 N ATOM 1324 CA ASN A 34 2.226 6.009 23.929 1.00 0.00 C ATOM 1325 C ASN A 34 1.131 5.026 24.362 1.00 0.00 C ATOM 1326 O ASN A 34 -0.013 5.403 24.525 1.00 0.00 O ATOM 1327 CB ASN A 34 2.452 5.887 22.420 1.00 0.00 C ATOM 1328 CG ASN A 34 2.981 4.492 22.082 1.00 0.00 C ATOM 1329 OD1 ASN A 34 3.339 3.735 22.964 1.00 0.00 O ATOM 1330 ND2 ASN A 34 3.054 4.118 20.833 1.00 0.00 N ATOM 0 H ASN A 34 4.267 5.385 24.078 1.00 0.00 H new ATOM 0 HA ASN A 34 1.904 7.021 24.173 1.00 0.00 H new ATOM 0 HB2 ASN A 34 1.518 6.070 21.888 1.00 0.00 H new ATOM 0 HB3 ASN A 34 3.162 6.645 22.088 1.00 0.00 H new ATOM 0 HD21 ASN A 34 3.411 3.192 20.598 1.00 0.00 H new ATOM 0 HD22 ASN A 34 2.754 4.752 20.092 1.00 0.00 H new ATOM 1337 N ALA A 35 1.452 3.771 24.525 1.00 0.00 N ATOM 1338 CA ALA A 35 0.402 2.779 24.908 1.00 0.00 C ATOM 1339 C ALA A 35 -0.203 3.068 26.292 1.00 0.00 C ATOM 1340 O ALA A 35 -1.408 3.116 26.439 1.00 0.00 O ATOM 1341 CB ALA A 35 0.997 1.371 24.881 1.00 0.00 C ATOM 0 H ALA A 35 2.391 3.389 24.411 1.00 0.00 H new ATOM 0 HA ALA A 35 -0.407 2.859 24.182 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.231 0.647 25.160 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.358 1.148 23.877 1.00 0.00 H new ATOM 0 HB3 ALA A 35 1.826 1.313 25.586 1.00 0.00 H new ATOM 1347 N CYS A 36 0.597 3.240 27.315 1.00 0.00 N ATOM 1348 CA CYS A 36 0.014 3.495 28.669 1.00 0.00 C ATOM 1349 C CYS A 36 -0.834 4.767 28.652 1.00 0.00 C ATOM 1350 O CYS A 36 -1.914 4.808 29.205 1.00 0.00 O ATOM 1351 CB CYS A 36 1.132 3.661 29.701 1.00 0.00 C ATOM 1352 SG CYS A 36 2.009 2.093 29.906 1.00 0.00 S ATOM 0 H CYS A 36 1.616 3.216 27.274 1.00 0.00 H new ATOM 0 HA CYS A 36 -0.611 2.643 28.937 1.00 0.00 H new ATOM 0 HB2 CYS A 36 1.826 4.437 29.378 1.00 0.00 H new ATOM 0 HB3 CYS A 36 0.715 3.983 30.655 1.00 0.00 H new ATOM 0 HG CYS A 36 3.281 2.322 30.047 1.00 0.00 H new ATOM 1357 N GLY A 37 -0.359 5.807 28.032 1.00 0.00 N ATOM 1358 CA GLY A 37 -1.156 7.062 28.004 1.00 0.00 C ATOM 1359 C GLY A 37 -2.459 6.825 27.246 1.00 0.00 C ATOM 1360 O GLY A 37 -3.530 7.164 27.709 1.00 0.00 O ATOM 0 H GLY A 37 0.538 5.844 27.547 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.370 7.391 29.021 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.584 7.857 27.525 1.00 0.00 H new ATOM 1364 N LEU A 38 -2.385 6.254 26.078 1.00 0.00 N ATOM 1365 CA LEU A 38 -3.629 6.015 25.301 1.00 0.00 C ATOM 1366 C LEU A 38 -4.507 4.977 26.007 1.00 0.00 C ATOM 1367 O LEU A 38 -5.695 5.169 26.180 1.00 0.00 O ATOM 1368 CB LEU A 38 -3.259 5.510 23.902 1.00 0.00 C ATOM 1369 CG LEU A 38 -2.572 6.628 23.099 1.00 0.00 C ATOM 1370 CD1 LEU A 38 -2.012 6.057 21.789 1.00 0.00 C ATOM 1371 CD2 LEU A 38 -3.572 7.753 22.776 1.00 0.00 C ATOM 0 H LEU A 38 -1.522 5.944 25.630 1.00 0.00 H new ATOM 0 HA LEU A 38 -4.186 6.948 25.223 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.595 4.649 23.982 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.155 5.175 23.380 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.760 7.037 23.700 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.526 6.852 21.224 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -1.286 5.276 22.014 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.826 5.637 21.198 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.069 8.535 22.208 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -4.396 7.350 22.187 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.961 8.172 23.704 1.00 0.00 H new ATOM 1383 N PHE A 39 -3.941 3.869 26.398 1.00 0.00 N ATOM 1384 CA PHE A 39 -4.751 2.811 27.070 1.00 0.00 C ATOM 1385 C PHE A 39 -5.220 3.244 28.465 1.00 0.00 C ATOM 1386 O PHE A 39 -6.369 3.073 28.819 1.00 0.00 O ATOM 1387 CB PHE A 39 -3.910 1.541 27.195 1.00 0.00 C ATOM 1388 CG PHE A 39 -4.719 0.474 27.890 1.00 0.00 C ATOM 1389 CD1 PHE A 39 -4.768 0.432 29.288 1.00 0.00 C ATOM 1390 CD2 PHE A 39 -5.436 -0.461 27.134 1.00 0.00 C ATOM 1391 CE1 PHE A 39 -5.530 -0.552 29.930 1.00 0.00 C ATOM 1392 CE2 PHE A 39 -6.199 -1.442 27.777 1.00 0.00 C ATOM 1393 CZ PHE A 39 -6.246 -1.487 29.175 1.00 0.00 C ATOM 0 H PHE A 39 -2.952 3.649 26.282 1.00 0.00 H new ATOM 0 HA PHE A 39 -5.637 2.631 26.461 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -3.603 1.196 26.208 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -3.000 1.748 27.758 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -4.219 1.157 29.871 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -5.400 -0.425 26.055 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -5.565 -0.589 31.009 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -6.752 -2.164 27.195 1.00 0.00 H new ATOM 0 HZ PHE A 39 -6.835 -2.244 29.671 1.00 0.00 H new ATOM 1403 N LEU A 40 -4.337 3.756 29.279 1.00 0.00 N ATOM 1404 CA LEU A 40 -4.742 4.137 30.665 1.00 0.00 C ATOM 1405 C LEU A 40 -5.852 5.199 30.643 1.00 0.00 C ATOM 1406 O LEU A 40 -6.840 5.076 31.340 1.00 0.00 O ATOM 1407 CB LEU A 40 -3.513 4.655 31.428 1.00 0.00 C ATOM 1408 CG LEU A 40 -3.847 4.855 32.920 1.00 0.00 C ATOM 1409 CD1 LEU A 40 -3.840 3.508 33.661 1.00 0.00 C ATOM 1410 CD2 LEU A 40 -2.808 5.781 33.563 1.00 0.00 C ATOM 0 H LEU A 40 -3.358 3.927 29.048 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.139 3.257 31.172 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.690 3.948 31.325 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -3.180 5.598 30.995 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.840 5.299 32.993 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.078 3.670 34.712 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.584 2.845 33.219 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.853 3.052 33.578 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.047 5.920 34.617 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.817 5.335 33.471 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.819 6.747 33.058 1.00 0.00 H new ATOM 1422 N LYS A 41 -5.708 6.244 29.872 1.00 0.00 N ATOM 1423 CA LYS A 41 -6.765 7.301 29.846 1.00 0.00 C ATOM 1424 C LYS A 41 -8.105 6.728 29.355 1.00 0.00 C ATOM 1425 O LYS A 41 -9.147 6.993 29.922 1.00 0.00 O ATOM 1426 CB LYS A 41 -6.320 8.439 28.922 1.00 0.00 C ATOM 1427 CG LYS A 41 -7.372 9.552 28.916 1.00 0.00 C ATOM 1428 CD LYS A 41 -6.916 10.679 27.991 1.00 0.00 C ATOM 1429 CE LYS A 41 -7.962 11.794 28.002 1.00 0.00 C ATOM 1430 NZ LYS A 41 -7.997 12.420 29.353 1.00 0.00 N ATOM 0 H LYS A 41 -4.909 6.412 29.261 1.00 0.00 H new ATOM 0 HA LYS A 41 -6.906 7.678 30.859 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -5.361 8.836 29.256 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -6.173 8.061 27.910 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -8.332 9.158 28.581 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.519 9.933 29.926 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -5.951 11.066 28.318 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -6.781 10.301 26.978 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -7.721 12.543 27.247 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -8.943 11.391 27.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -8.416 13.370 29.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -8.570 11.834 29.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -7.029 12.494 29.726 1.00 0.00 H new ATOM 1444 N LEU A 42 -8.088 5.977 28.289 1.00 0.00 N ATOM 1445 CA LEU A 42 -9.359 5.417 27.740 1.00 0.00 C ATOM 1446 C LEU A 42 -9.932 4.366 28.693 1.00 0.00 C ATOM 1447 O LEU A 42 -11.132 4.260 28.862 1.00 0.00 O ATOM 1448 CB LEU A 42 -9.083 4.773 26.377 1.00 0.00 C ATOM 1449 CG LEU A 42 -8.716 5.846 25.343 1.00 0.00 C ATOM 1450 CD1 LEU A 42 -8.136 5.165 24.100 1.00 0.00 C ATOM 1451 CD2 LEU A 42 -9.956 6.659 24.935 1.00 0.00 C ATOM 0 H LEU A 42 -7.246 5.725 27.771 1.00 0.00 H new ATOM 0 HA LEU A 42 -10.083 6.224 27.629 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -8.271 4.052 26.466 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -9.963 4.223 26.043 1.00 0.00 H new ATOM 0 HG LEU A 42 -7.984 6.521 25.786 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -7.873 5.921 23.360 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -7.245 4.602 24.376 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -8.877 4.487 23.677 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -9.671 7.413 24.202 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -10.701 5.993 24.500 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -10.376 7.148 25.814 1.00 0.00 H new ATOM 1463 N HIS A 43 -9.099 3.551 29.279 1.00 0.00 N ATOM 1464 CA HIS A 43 -9.612 2.481 30.181 1.00 0.00 C ATOM 1465 C HIS A 43 -9.875 3.032 31.588 1.00 0.00 C ATOM 1466 O HIS A 43 -10.903 2.764 32.177 1.00 0.00 O ATOM 1467 CB HIS A 43 -8.575 1.356 30.234 1.00 0.00 C ATOM 1468 CG HIS A 43 -8.581 0.620 28.922 1.00 0.00 C ATOM 1469 ND1 HIS A 43 -8.067 1.177 27.762 1.00 0.00 N ATOM 1470 CD2 HIS A 43 -9.059 -0.617 28.563 1.00 0.00 C ATOM 1471 CE1 HIS A 43 -8.250 0.289 26.768 1.00 0.00 C ATOM 1472 NE2 HIS A 43 -8.851 -0.822 27.202 1.00 0.00 N ATOM 0 H HIS A 43 -8.085 3.579 29.172 1.00 0.00 H new ATOM 0 HA HIS A 43 -10.558 2.100 29.795 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -7.585 1.766 30.431 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -8.804 0.671 31.051 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -7.629 2.094 27.677 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -9.525 -1.323 29.234 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -7.948 0.454 25.744 1.00 0.00 H new ATOM 1480 N GLY A 44 -8.982 3.808 32.138 1.00 0.00 N ATOM 1481 CA GLY A 44 -9.230 4.366 33.499 1.00 0.00 C ATOM 1482 C GLY A 44 -9.102 3.285 34.576 1.00 0.00 C ATOM 1483 O GLY A 44 -9.401 3.526 35.729 1.00 0.00 O ATOM 0 H GLY A 44 -8.097 4.079 31.708 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -8.520 5.168 33.700 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -10.227 4.805 33.538 1.00 0.00 H new ATOM 1487 N VAL A 45 -8.668 2.098 34.229 1.00 0.00 N ATOM 1488 CA VAL A 45 -8.534 1.020 35.260 1.00 0.00 C ATOM 1489 C VAL A 45 -7.272 0.196 34.999 1.00 0.00 C ATOM 1490 O VAL A 45 -6.908 -0.072 33.870 1.00 0.00 O ATOM 1491 CB VAL A 45 -9.764 0.106 35.229 1.00 0.00 C ATOM 1492 CG1 VAL A 45 -11.032 0.951 35.361 1.00 0.00 C ATOM 1493 CG2 VAL A 45 -9.812 -0.668 33.910 1.00 0.00 C ATOM 0 H VAL A 45 -8.402 1.829 33.282 1.00 0.00 H new ATOM 0 HA VAL A 45 -8.459 1.484 36.243 1.00 0.00 H new ATOM 0 HB VAL A 45 -9.700 -0.599 36.058 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -11.907 0.301 35.339 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -11.009 1.496 36.304 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -11.085 1.659 34.534 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -10.690 -1.314 33.899 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -9.868 0.034 33.078 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -8.913 -1.276 33.812 1.00 0.00 H new ATOM 1503 N VAL A 46 -6.597 -0.204 36.042 1.00 0.00 N ATOM 1504 CA VAL A 46 -5.352 -1.004 35.873 1.00 0.00 C ATOM 1505 C VAL A 46 -5.633 -2.226 34.999 1.00 0.00 C ATOM 1506 O VAL A 46 -6.679 -2.836 35.077 1.00 0.00 O ATOM 1507 CB VAL A 46 -4.844 -1.461 37.240 1.00 0.00 C ATOM 1508 CG1 VAL A 46 -4.415 -0.240 38.055 1.00 0.00 C ATOM 1509 CG2 VAL A 46 -5.960 -2.196 37.983 1.00 0.00 C ATOM 0 H VAL A 46 -6.857 -0.010 37.009 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.594 -0.385 35.392 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.995 -2.131 37.105 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.052 -0.563 39.031 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.620 0.288 37.529 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.267 0.427 38.187 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -5.596 -2.521 38.958 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -6.809 -1.527 38.118 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -6.272 -3.065 37.404 1.00 0.00 H new ATOM 1519 N ARG A 47 -4.693 -2.585 34.165 1.00 0.00 N ATOM 1520 CA ARG A 47 -4.865 -3.764 33.266 1.00 0.00 C ATOM 1521 C ARG A 47 -3.521 -4.505 33.195 1.00 0.00 C ATOM 1522 O ARG A 47 -2.491 -3.875 33.055 1.00 0.00 O ATOM 1523 CB ARG A 47 -5.252 -3.252 31.867 1.00 0.00 C ATOM 1524 CG ARG A 47 -5.418 -4.402 30.854 1.00 0.00 C ATOM 1525 CD ARG A 47 -6.820 -5.018 30.953 1.00 0.00 C ATOM 1526 NE ARG A 47 -6.803 -6.383 30.347 1.00 0.00 N ATOM 1527 CZ ARG A 47 -7.757 -7.239 30.605 1.00 0.00 C ATOM 1528 NH1 ARG A 47 -8.738 -6.919 31.405 1.00 0.00 N ATOM 1529 NH2 ARG A 47 -7.728 -8.426 30.059 1.00 0.00 N ATOM 0 H ARG A 47 -3.799 -2.103 34.067 1.00 0.00 H new ATOM 0 HA ARG A 47 -5.640 -4.436 33.636 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -6.183 -2.690 31.932 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -4.487 -2.562 31.510 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -5.250 -4.029 29.843 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -4.665 -5.168 31.040 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -7.132 -5.074 31.996 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -7.544 -4.387 30.437 1.00 0.00 H new ATOM 0 HE ARG A 47 -6.039 -6.650 29.726 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -8.765 -5.994 31.835 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -9.478 -7.594 31.600 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -6.963 -8.681 29.434 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -8.470 -9.097 30.258 1.00 0.00 H new ATOM 1543 N PRO A 48 -3.508 -5.816 33.281 1.00 0.00 N ATOM 1544 CA PRO A 48 -2.250 -6.611 33.210 1.00 0.00 C ATOM 1545 C PRO A 48 -1.181 -5.986 32.305 1.00 0.00 C ATOM 1546 O PRO A 48 -1.206 -6.120 31.097 1.00 0.00 O ATOM 1547 CB PRO A 48 -2.737 -7.940 32.643 1.00 0.00 C ATOM 1548 CG PRO A 48 -4.093 -8.122 33.251 1.00 0.00 C ATOM 1549 CD PRO A 48 -4.670 -6.712 33.464 1.00 0.00 C ATOM 0 HA PRO A 48 -1.755 -6.685 34.179 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -2.789 -7.914 31.555 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -2.067 -8.757 32.911 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -4.736 -8.709 32.596 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -4.025 -8.660 34.196 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -5.460 -6.492 32.746 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -5.104 -6.605 34.458 1.00 0.00 H new ATOM 1557 N LEU A 49 -0.229 -5.322 32.900 1.00 0.00 N ATOM 1558 CA LEU A 49 0.868 -4.701 32.110 1.00 0.00 C ATOM 1559 C LEU A 49 1.611 -5.812 31.364 1.00 0.00 C ATOM 1560 O LEU A 49 2.411 -5.566 30.484 1.00 0.00 O ATOM 1561 CB LEU A 49 1.809 -3.958 33.061 1.00 0.00 C ATOM 1562 CG LEU A 49 1.015 -2.887 33.820 1.00 0.00 C ATOM 1563 CD1 LEU A 49 1.889 -2.305 34.933 1.00 0.00 C ATOM 1564 CD2 LEU A 49 0.574 -1.762 32.867 1.00 0.00 C ATOM 0 H LEU A 49 -0.165 -5.183 33.908 1.00 0.00 H new ATOM 0 HA LEU A 49 0.474 -3.986 31.387 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.263 -4.657 33.763 1.00 0.00 H new ATOM 0 HB3 LEU A 49 2.622 -3.496 32.501 1.00 0.00 H new ATOM 0 HG LEU A 49 0.124 -3.346 34.249 1.00 0.00 H new ATOM 0 HD11 LEU A 49 1.329 -1.543 35.475 1.00 0.00 H new ATOM 0 HD12 LEU A 49 2.180 -3.099 35.620 1.00 0.00 H new ATOM 0 HD13 LEU A 49 2.782 -1.857 34.498 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.012 -1.012 33.424 1.00 0.00 H new ATOM 0 HD22 LEU A 49 1.453 -1.298 32.420 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.056 -2.177 32.081 1.00 0.00 H new ATOM 1576 N SER A 50 1.342 -7.041 31.717 1.00 0.00 N ATOM 1577 CA SER A 50 2.015 -8.188 31.042 1.00 0.00 C ATOM 1578 C SER A 50 1.677 -8.160 29.549 1.00 0.00 C ATOM 1579 O SER A 50 2.241 -8.889 28.759 1.00 0.00 O ATOM 1580 CB SER A 50 1.508 -9.502 31.632 1.00 0.00 C ATOM 1581 OG SER A 50 2.020 -9.657 32.946 1.00 0.00 O ATOM 0 H SER A 50 0.681 -7.301 32.449 1.00 0.00 H new ATOM 0 HA SER A 50 3.092 -8.110 31.188 1.00 0.00 H new ATOM 0 HB2 SER A 50 0.418 -9.508 31.651 1.00 0.00 H new ATOM 0 HB3 SER A 50 1.820 -10.339 31.007 1.00 0.00 H new ATOM 0 HG SER A 50 1.694 -10.499 33.327 1.00 0.00 H new ATOM 1587 N LEU A 51 0.755 -7.323 29.163 1.00 0.00 N ATOM 1588 CA LEU A 51 0.370 -7.240 27.726 1.00 0.00 C ATOM 1589 C LEU A 51 1.479 -6.537 26.954 1.00 0.00 C ATOM 1590 O LEU A 51 1.801 -6.889 25.834 1.00 0.00 O ATOM 1591 CB LEU A 51 -0.900 -6.401 27.600 1.00 0.00 C ATOM 1592 CG LEU A 51 -2.067 -7.084 28.323 1.00 0.00 C ATOM 1593 CD1 LEU A 51 -3.154 -6.046 28.602 1.00 0.00 C ATOM 1594 CD2 LEU A 51 -2.660 -8.193 27.448 1.00 0.00 C ATOM 0 H LEU A 51 0.249 -6.690 29.783 1.00 0.00 H new ATOM 0 HA LEU A 51 0.207 -8.243 27.332 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.732 -5.410 28.022 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.148 -6.261 26.548 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.702 -7.518 29.254 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -3.989 -6.522 29.116 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.747 -5.252 29.229 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.502 -5.622 27.660 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.487 -8.669 27.975 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -3.023 -7.764 26.514 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.892 -8.936 27.232 1.00 0.00 H new ATOM 1606 N LYS A 52 2.051 -5.530 27.546 1.00 0.00 N ATOM 1607 CA LYS A 52 3.133 -4.768 26.866 1.00 0.00 C ATOM 1608 C LYS A 52 4.139 -5.727 26.228 1.00 0.00 C ATOM 1609 O LYS A 52 4.228 -6.885 26.580 1.00 0.00 O ATOM 1610 CB LYS A 52 3.852 -3.884 27.892 1.00 0.00 C ATOM 1611 CG LYS A 52 4.883 -2.967 27.192 1.00 0.00 C ATOM 1612 CD LYS A 52 6.303 -3.558 27.296 1.00 0.00 C ATOM 1613 CE LYS A 52 6.957 -3.113 28.610 1.00 0.00 C ATOM 1614 NZ LYS A 52 8.252 -3.826 28.802 1.00 0.00 N ATOM 0 H LYS A 52 1.814 -5.198 28.481 1.00 0.00 H new ATOM 0 HA LYS A 52 2.693 -4.148 26.085 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.124 -3.277 28.431 1.00 0.00 H new ATOM 0 HB3 LYS A 52 4.355 -4.509 28.630 1.00 0.00 H new ATOM 0 HG2 LYS A 52 4.612 -2.842 26.144 1.00 0.00 H new ATOM 0 HG3 LYS A 52 4.863 -1.976 27.646 1.00 0.00 H new ATOM 0 HD2 LYS A 52 6.258 -4.646 27.252 1.00 0.00 H new ATOM 0 HD3 LYS A 52 6.906 -3.230 26.450 1.00 0.00 H new ATOM 0 HE2 LYS A 52 7.124 -2.036 28.596 1.00 0.00 H new ATOM 0 HE3 LYS A 52 6.290 -3.321 29.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 8.688 -3.519 29.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 8.082 -4.852 28.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 8.890 -3.606 28.011 1.00 0.00 H new ATOM 1628 N THR A 53 4.915 -5.230 25.302 1.00 0.00 N ATOM 1629 CA THR A 53 5.947 -6.071 24.637 1.00 0.00 C ATOM 1630 C THR A 53 7.145 -5.196 24.276 1.00 0.00 C ATOM 1631 O THR A 53 7.054 -3.986 24.239 1.00 0.00 O ATOM 1632 CB THR A 53 5.364 -6.708 23.375 1.00 0.00 C ATOM 1633 OG1 THR A 53 6.402 -7.352 22.650 1.00 0.00 O ATOM 1634 CG2 THR A 53 4.699 -5.639 22.504 1.00 0.00 C ATOM 0 H THR A 53 4.875 -4.264 24.976 1.00 0.00 H new ATOM 0 HA THR A 53 6.266 -6.864 25.313 1.00 0.00 H new ATOM 0 HB THR A 53 4.611 -7.443 23.657 1.00 0.00 H new ATOM 0 HG1 THR A 53 6.030 -7.763 21.841 1.00 0.00 H new ATOM 0 HG21 THR A 53 4.287 -6.104 21.608 1.00 0.00 H new ATOM 0 HG22 THR A 53 3.897 -5.160 23.065 1.00 0.00 H new ATOM 0 HG23 THR A 53 5.439 -4.891 22.218 1.00 0.00 H new ATOM 1642 N ASP A 54 8.274 -5.794 24.013 1.00 0.00 N ATOM 1643 CA ASP A 54 9.485 -4.994 23.662 1.00 0.00 C ATOM 1644 C ASP A 54 9.526 -4.820 22.144 1.00 0.00 C ATOM 1645 O ASP A 54 10.390 -4.161 21.601 1.00 0.00 O ATOM 1646 CB ASP A 54 10.740 -5.746 24.121 1.00 0.00 C ATOM 1647 CG ASP A 54 10.798 -5.772 25.651 1.00 0.00 C ATOM 1648 OD1 ASP A 54 10.291 -4.845 26.260 1.00 0.00 O ATOM 1649 OD2 ASP A 54 11.346 -6.719 26.187 1.00 0.00 O ATOM 0 H ASP A 54 8.412 -6.805 24.026 1.00 0.00 H new ATOM 0 HA ASP A 54 9.448 -4.021 24.151 1.00 0.00 H new ATOM 0 HB2 ASP A 54 10.728 -6.764 23.731 1.00 0.00 H new ATOM 0 HB3 ASP A 54 11.631 -5.262 23.722 1.00 0.00 H new ATOM 1654 N VAL A 55 8.570 -5.400 21.463 1.00 0.00 N ATOM 1655 CA VAL A 55 8.498 -5.283 19.974 1.00 0.00 C ATOM 1656 C VAL A 55 7.262 -4.466 19.605 1.00 0.00 C ATOM 1657 O VAL A 55 6.191 -4.679 20.138 1.00 0.00 O ATOM 1658 CB VAL A 55 8.377 -6.673 19.348 1.00 0.00 C ATOM 1659 CG1 VAL A 55 8.350 -6.543 17.823 1.00 0.00 C ATOM 1660 CG2 VAL A 55 9.575 -7.524 19.767 1.00 0.00 C ATOM 0 H VAL A 55 7.826 -5.958 21.882 1.00 0.00 H new ATOM 0 HA VAL A 55 9.401 -4.797 19.604 1.00 0.00 H new ATOM 0 HB VAL A 55 7.457 -7.148 19.688 1.00 0.00 H new ATOM 0 HG11 VAL A 55 8.264 -7.533 17.375 1.00 0.00 H new ATOM 0 HG12 VAL A 55 7.497 -5.934 17.525 1.00 0.00 H new ATOM 0 HG13 VAL A 55 9.270 -6.069 17.482 1.00 0.00 H new ATOM 0 HG21 VAL A 55 9.491 -8.515 19.322 1.00 0.00 H new ATOM 0 HG22 VAL A 55 10.495 -7.050 19.426 1.00 0.00 H new ATOM 0 HG23 VAL A 55 9.595 -7.615 20.853 1.00 0.00 H new ATOM 1670 N ILE A 56 7.402 -3.531 18.700 1.00 0.00 N ATOM 1671 CA ILE A 56 6.238 -2.688 18.283 1.00 0.00 C ATOM 1672 C ILE A 56 5.878 -2.991 16.825 1.00 0.00 C ATOM 1673 O ILE A 56 6.726 -2.994 15.954 1.00 0.00 O ATOM 1674 CB ILE A 56 6.587 -1.203 18.418 1.00 0.00 C ATOM 1675 CG1 ILE A 56 6.935 -0.896 19.880 1.00 0.00 C ATOM 1676 CG2 ILE A 56 5.380 -0.361 17.984 1.00 0.00 C ATOM 1677 CD1 ILE A 56 7.495 0.524 19.993 1.00 0.00 C ATOM 0 H ILE A 56 8.279 -3.313 18.228 1.00 0.00 H new ATOM 0 HA ILE A 56 5.389 -2.918 18.927 1.00 0.00 H new ATOM 0 HB ILE A 56 7.442 -0.963 17.786 1.00 0.00 H new ATOM 0 HG12 ILE A 56 6.047 -0.997 20.504 1.00 0.00 H new ATOM 0 HG13 ILE A 56 7.666 -1.615 20.248 1.00 0.00 H new ATOM 0 HG21 ILE A 56 5.622 0.698 18.078 1.00 0.00 H new ATOM 0 HG22 ILE A 56 5.133 -0.586 16.946 1.00 0.00 H new ATOM 0 HG23 ILE A 56 4.526 -0.595 18.619 1.00 0.00 H new ATOM 0 HD11 ILE A 56 7.740 0.737 21.034 1.00 0.00 H new ATOM 0 HD12 ILE A 56 8.394 0.610 19.383 1.00 0.00 H new ATOM 0 HD13 ILE A 56 6.750 1.238 19.643 1.00 0.00 H new ATOM 1689 N LYS A 57 4.624 -3.243 16.555 1.00 0.00 N ATOM 1690 CA LYS A 57 4.204 -3.542 15.156 1.00 0.00 C ATOM 1691 C LYS A 57 4.049 -2.229 14.386 1.00 0.00 C ATOM 1692 O LYS A 57 3.352 -1.327 14.809 1.00 0.00 O ATOM 1693 CB LYS A 57 2.865 -4.282 15.184 1.00 0.00 C ATOM 1694 CG LYS A 57 2.384 -4.544 13.755 1.00 0.00 C ATOM 1695 CD LYS A 57 1.214 -5.539 13.765 1.00 0.00 C ATOM 1696 CE LYS A 57 -0.032 -4.884 14.370 1.00 0.00 C ATOM 1697 NZ LYS A 57 -1.212 -5.777 14.192 1.00 0.00 N ATOM 0 H LYS A 57 3.872 -3.254 17.244 1.00 0.00 H new ATOM 0 HA LYS A 57 4.954 -4.163 14.666 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.972 -5.225 15.719 1.00 0.00 H new ATOM 0 HB3 LYS A 57 2.125 -3.691 15.724 1.00 0.00 H new ATOM 0 HG2 LYS A 57 2.072 -3.608 13.291 1.00 0.00 H new ATOM 0 HG3 LYS A 57 3.203 -4.940 13.154 1.00 0.00 H new ATOM 0 HD2 LYS A 57 1.002 -5.872 12.749 1.00 0.00 H new ATOM 0 HD3 LYS A 57 1.485 -6.424 14.341 1.00 0.00 H new ATOM 0 HE2 LYS A 57 0.129 -4.686 15.430 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -0.217 -3.923 13.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -2.054 -5.327 14.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -1.371 -5.944 13.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -1.036 -6.684 14.669 1.00 0.00 H new ATOM 1711 N LYS A 58 4.693 -2.113 13.256 1.00 0.00 N ATOM 1712 CA LYS A 58 4.584 -0.855 12.462 1.00 0.00 C ATOM 1713 C LYS A 58 3.367 -0.926 11.540 1.00 0.00 C ATOM 1714 O LYS A 58 3.206 -1.862 10.781 1.00 0.00 O ATOM 1715 CB LYS A 58 5.846 -0.678 11.617 1.00 0.00 C ATOM 1716 CG LYS A 58 7.059 -0.562 12.539 1.00 0.00 C ATOM 1717 CD LYS A 58 8.322 -0.382 11.697 1.00 0.00 C ATOM 1718 CE LYS A 58 9.538 -0.261 12.616 1.00 0.00 C ATOM 1719 NZ LYS A 58 9.293 0.813 13.620 1.00 0.00 N ATOM 0 H LYS A 58 5.289 -2.834 12.849 1.00 0.00 H new ATOM 0 HA LYS A 58 4.473 -0.011 13.142 1.00 0.00 H new ATOM 0 HB2 LYS A 58 5.967 -1.525 10.942 1.00 0.00 H new ATOM 0 HB3 LYS A 58 5.760 0.214 10.996 1.00 0.00 H new ATOM 0 HG2 LYS A 58 6.936 0.284 13.215 1.00 0.00 H new ATOM 0 HG3 LYS A 58 7.146 -1.455 13.158 1.00 0.00 H new ATOM 0 HD2 LYS A 58 8.446 -1.230 11.023 1.00 0.00 H new ATOM 0 HD3 LYS A 58 8.233 0.509 11.076 1.00 0.00 H new ATOM 0 HE2 LYS A 58 9.723 -1.210 13.120 1.00 0.00 H new ATOM 0 HE3 LYS A 58 10.429 -0.031 12.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 10.202 1.145 14.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 8.798 1.607 13.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 8.708 0.438 14.394 1.00 0.00 H new ATOM 1733 N ARG A 59 2.511 0.060 11.597 1.00 0.00 N ATOM 1734 CA ARG A 59 1.303 0.058 10.723 1.00 0.00 C ATOM 1735 C ARG A 59 1.572 0.946 9.511 1.00 0.00 C ATOM 1736 O ARG A 59 2.668 1.433 9.315 1.00 0.00 O ATOM 1737 CB ARG A 59 0.093 0.603 11.486 1.00 0.00 C ATOM 1738 CG ARG A 59 -0.153 -0.240 12.739 1.00 0.00 C ATOM 1739 CD ARG A 59 -1.548 0.066 13.290 1.00 0.00 C ATOM 1740 NE ARG A 59 -1.700 1.535 13.490 1.00 0.00 N ATOM 1741 CZ ARG A 59 -2.889 2.054 13.625 1.00 0.00 C ATOM 1742 NH1 ARG A 59 -3.946 1.290 13.577 1.00 0.00 N ATOM 1743 NH2 ARG A 59 -3.018 3.337 13.816 1.00 0.00 N ATOM 0 H ARG A 59 2.597 0.868 12.213 1.00 0.00 H new ATOM 0 HA ARG A 59 1.090 -0.963 10.407 1.00 0.00 H new ATOM 0 HB2 ARG A 59 0.265 1.643 11.764 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -0.789 0.586 10.846 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -0.068 -1.300 12.500 1.00 0.00 H new ATOM 0 HG3 ARG A 59 0.604 -0.022 13.492 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -2.309 -0.297 12.600 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -1.699 -0.457 14.235 1.00 0.00 H new ATOM 0 HE ARG A 59 -0.875 2.134 13.521 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -3.843 0.285 13.434 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -4.875 1.698 13.683 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -2.191 3.932 13.859 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -3.946 3.746 13.922 1.00 0.00 H new ATOM 1757 N ASN A 60 0.596 1.110 8.667 1.00 0.00 N ATOM 1758 CA ASN A 60 0.799 1.905 7.426 1.00 0.00 C ATOM 1759 C ASN A 60 0.897 3.402 7.723 1.00 0.00 C ATOM 1760 O ASN A 60 0.734 3.853 8.841 1.00 0.00 O ATOM 1761 CB ASN A 60 -0.370 1.631 6.481 1.00 0.00 C ATOM 1762 CG ASN A 60 -0.382 0.141 6.136 1.00 0.00 C ATOM 1763 OD1 ASN A 60 -1.396 -0.518 6.258 1.00 0.00 O ATOM 1764 ND2 ASN A 60 0.719 -0.423 5.718 1.00 0.00 N ATOM 0 H ASN A 60 -0.341 0.725 8.784 1.00 0.00 H new ATOM 0 HA ASN A 60 1.741 1.607 6.965 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -1.311 1.918 6.951 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -0.271 2.228 5.574 1.00 0.00 H new ATOM 0 HD21 ASN A 60 0.729 -1.418 5.493 1.00 0.00 H new ATOM 0 HD22 ASN A 60 1.569 0.131 5.616 1.00 0.00 H new