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 156:sc= 1.99 USER MOD Set 1.2: A 15 CYS SG : rot -60:sc= 0.864 USER MOD Set 1.3: A 17 THR OG1 : rot 97:sc= 0.629 USER MOD Set 1.4: A 33 CYS SG : rot -135:sc= 1.21 USER MOD Set 1.5: A 36 CYS SG : rot 145:sc= -3.47! USER MOD Set 2.1: A 20 THR OG1 : rot -126:sc= 0.128 USER MOD Set 2.2: A 34 ASN :FLIP amide:sc= -1.93 F(o=-11!,f=-1.8) USER MOD Set 3.1: A 13 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 14 ASN : amide:sc= -4.42! C(o=-4.4!,f=-4.6!) USER MOD Single : A 11 THR OG1 : rot 38:sc= 0.12 USER MOD Single : A 18 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -1.63 K(o=-1.6,f=-3.5) USER MOD Single : A 30 GLN : amide:sc= -0.458! K(o=-0.46!,f=-1.2) USER MOD Single : A 41 LYS NZ :NH3+ 157:sc= -0.0988 (180deg=-0.611) USER MOD Single : A 43 HIS : no HE2:sc= -11.8! C(o=-12!,f=-18!) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ -133:sc= 1.3 (180deg=-0.401) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.414 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -0.0337 K(o=-0.034,f=-1.8!) USER MOD ----------------------------------------------------------------- ATOM 970 N THR A 11 11.830 6.707 31.541 1.00 0.00 N ATOM 971 CA THR A 11 11.356 5.296 31.673 1.00 0.00 C ATOM 972 C THR A 11 9.863 5.291 32.001 1.00 0.00 C ATOM 973 O THR A 11 9.394 6.068 32.808 1.00 0.00 O ATOM 974 CB THR A 11 12.126 4.619 32.807 1.00 0.00 C ATOM 975 OG1 THR A 11 13.514 4.636 32.505 1.00 0.00 O ATOM 976 CG2 THR A 11 11.652 3.175 32.962 1.00 0.00 C ATOM 0 HA THR A 11 11.524 4.760 30.739 1.00 0.00 H new ATOM 0 HB THR A 11 11.948 5.155 33.739 1.00 0.00 H new ATOM 0 HG1 THR A 11 13.744 5.484 32.070 1.00 0.00 H new ATOM 0 HG21 THR A 11 12.203 2.696 33.771 1.00 0.00 H new ATOM 0 HG22 THR A 11 10.587 3.165 33.193 1.00 0.00 H new ATOM 0 HG23 THR A 11 11.827 2.633 32.033 1.00 0.00 H new ATOM 984 N CYS A 12 9.112 4.416 31.391 1.00 0.00 N ATOM 985 CA CYS A 12 7.653 4.366 31.683 1.00 0.00 C ATOM 986 C CYS A 12 7.440 3.830 33.097 1.00 0.00 C ATOM 987 O CYS A 12 7.649 2.663 33.370 1.00 0.00 O ATOM 988 CB CYS A 12 6.956 3.450 30.681 1.00 0.00 C ATOM 989 SG CYS A 12 5.181 3.792 30.711 1.00 0.00 S ATOM 0 H CYS A 12 9.444 3.737 30.706 1.00 0.00 H new ATOM 0 HA CYS A 12 7.234 5.369 31.603 1.00 0.00 H new ATOM 0 HB2 CYS A 12 7.355 3.614 29.680 1.00 0.00 H new ATOM 0 HB3 CYS A 12 7.143 2.406 30.931 1.00 0.00 H new ATOM 0 HG CYS A 12 4.653 3.443 29.576 1.00 0.00 H new ATOM 994 N THR A 13 7.021 4.674 33.996 1.00 0.00 N ATOM 995 CA THR A 13 6.795 4.224 35.396 1.00 0.00 C ATOM 996 C THR A 13 5.664 3.196 35.440 1.00 0.00 C ATOM 997 O THR A 13 5.426 2.582 36.461 1.00 0.00 O ATOM 998 CB THR A 13 6.421 5.423 36.271 1.00 0.00 C ATOM 999 OG1 THR A 13 5.224 6.012 35.782 1.00 0.00 O ATOM 1000 CG2 THR A 13 7.548 6.457 36.241 1.00 0.00 C ATOM 0 H THR A 13 6.825 5.659 33.821 1.00 0.00 H new ATOM 0 HA THR A 13 7.712 3.769 35.771 1.00 0.00 H new ATOM 0 HB THR A 13 6.269 5.086 37.296 1.00 0.00 H new ATOM 0 HG1 THR A 13 4.984 6.779 36.343 1.00 0.00 H new ATOM 0 HG21 THR A 13 7.277 7.309 36.865 1.00 0.00 H new ATOM 0 HG22 THR A 13 8.465 6.006 36.620 1.00 0.00 H new ATOM 0 HG23 THR A 13 7.706 6.794 35.216 1.00 0.00 H new ATOM 1008 N ASN A 14 4.952 3.005 34.355 1.00 0.00 N ATOM 1009 CA ASN A 14 3.827 2.022 34.359 1.00 0.00 C ATOM 1010 C ASN A 14 4.251 0.699 33.715 1.00 0.00 C ATOM 1011 O ASN A 14 3.778 -0.347 34.111 1.00 0.00 O ATOM 1012 CB ASN A 14 2.647 2.598 33.572 1.00 0.00 C ATOM 1013 CG ASN A 14 2.000 3.728 34.375 1.00 0.00 C ATOM 1014 OD1 ASN A 14 1.079 4.368 33.907 1.00 0.00 O ATOM 1015 ND2 ASN A 14 2.446 4.005 35.571 1.00 0.00 N ATOM 0 H ASN A 14 5.102 3.487 33.469 1.00 0.00 H new ATOM 0 HA ASN A 14 3.541 1.834 35.394 1.00 0.00 H new ATOM 0 HB2 ASN A 14 2.988 2.973 32.607 1.00 0.00 H new ATOM 0 HB3 ASN A 14 1.915 1.816 33.370 1.00 0.00 H new ATOM 0 HD21 ASN A 14 2.021 4.758 36.112 1.00 0.00 H new ATOM 0 HD22 ASN A 14 3.219 3.468 35.964 1.00 0.00 H new ATOM 1022 N CYS A 15 5.104 0.721 32.715 1.00 0.00 N ATOM 1023 CA CYS A 15 5.501 -0.564 32.051 1.00 0.00 C ATOM 1024 C CYS A 15 7.008 -0.600 31.760 1.00 0.00 C ATOM 1025 O CYS A 15 7.492 -1.512 31.120 1.00 0.00 O ATOM 1026 CB CYS A 15 4.692 -0.735 30.757 1.00 0.00 C ATOM 1027 SG CYS A 15 5.367 0.298 29.432 1.00 0.00 S ATOM 0 H CYS A 15 5.537 1.562 32.334 1.00 0.00 H new ATOM 0 HA CYS A 15 5.283 -1.391 32.727 1.00 0.00 H new ATOM 0 HB2 CYS A 15 4.705 -1.781 30.451 1.00 0.00 H new ATOM 0 HB3 CYS A 15 3.650 -0.469 30.937 1.00 0.00 H new ATOM 0 HG CYS A 15 5.319 1.547 29.788 1.00 0.00 H new ATOM 1032 N PHE A 16 7.756 0.357 32.248 1.00 0.00 N ATOM 1033 CA PHE A 16 9.242 0.369 32.044 1.00 0.00 C ATOM 1034 C PHE A 16 9.625 0.415 30.560 1.00 0.00 C ATOM 1035 O PHE A 16 10.793 0.368 30.227 1.00 0.00 O ATOM 1036 CB PHE A 16 9.876 -0.868 32.694 1.00 0.00 C ATOM 1037 CG PHE A 16 9.613 -0.858 34.182 1.00 0.00 C ATOM 1038 CD1 PHE A 16 8.461 -1.472 34.696 1.00 0.00 C ATOM 1039 CD2 PHE A 16 10.524 -0.246 35.051 1.00 0.00 C ATOM 1040 CE1 PHE A 16 8.223 -1.471 36.076 1.00 0.00 C ATOM 1041 CE2 PHE A 16 10.284 -0.247 36.430 1.00 0.00 C ATOM 1042 CZ PHE A 16 9.135 -0.858 36.942 1.00 0.00 C ATOM 0 H PHE A 16 7.397 1.144 32.788 1.00 0.00 H new ATOM 0 HA PHE A 16 9.621 1.276 32.516 1.00 0.00 H new ATOM 0 HB2 PHE A 16 9.465 -1.774 32.249 1.00 0.00 H new ATOM 0 HB3 PHE A 16 10.950 -0.879 32.506 1.00 0.00 H new ATOM 0 HD1 PHE A 16 7.758 -1.946 34.027 1.00 0.00 H new ATOM 0 HD2 PHE A 16 11.412 0.227 34.658 1.00 0.00 H new ATOM 0 HE1 PHE A 16 7.336 -1.943 36.472 1.00 0.00 H new ATOM 0 HE2 PHE A 16 10.988 0.225 37.100 1.00 0.00 H new ATOM 0 HZ PHE A 16 8.952 -0.857 38.006 1.00 0.00 H new ATOM 1052 N THR A 17 8.686 0.502 29.660 1.00 0.00 N ATOM 1053 CA THR A 17 9.060 0.545 28.216 1.00 0.00 C ATOM 1054 C THR A 17 9.949 1.765 27.954 1.00 0.00 C ATOM 1055 O THR A 17 9.617 2.875 28.317 1.00 0.00 O ATOM 1056 CB THR A 17 7.781 0.641 27.372 1.00 0.00 C ATOM 1057 OG1 THR A 17 7.086 -0.596 27.430 1.00 0.00 O ATOM 1058 CG2 THR A 17 8.119 0.968 25.913 1.00 0.00 C ATOM 0 H THR A 17 7.686 0.545 29.857 1.00 0.00 H new ATOM 0 HA THR A 17 9.608 -0.358 27.947 1.00 0.00 H new ATOM 0 HB THR A 17 7.156 1.439 27.772 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.380 -0.543 28.107 1.00 0.00 H new ATOM 0 HG21 THR A 17 7.199 1.032 25.332 1.00 0.00 H new ATOM 0 HG22 THR A 17 8.644 1.922 25.866 1.00 0.00 H new ATOM 0 HG23 THR A 17 8.754 0.183 25.502 1.00 0.00 H new ATOM 1066 N GLN A 18 11.078 1.560 27.319 1.00 0.00 N ATOM 1067 CA GLN A 18 12.003 2.694 27.015 1.00 0.00 C ATOM 1068 C GLN A 18 11.902 3.050 25.529 1.00 0.00 C ATOM 1069 O GLN A 18 12.427 4.053 25.084 1.00 0.00 O ATOM 1070 CB GLN A 18 13.440 2.275 27.330 1.00 0.00 C ATOM 1071 CG GLN A 18 13.592 2.054 28.836 1.00 0.00 C ATOM 1072 CD GLN A 18 15.031 1.634 29.146 1.00 0.00 C ATOM 1073 OE1 GLN A 18 15.617 0.854 28.422 1.00 0.00 O ATOM 1074 NE2 GLN A 18 15.633 2.131 30.194 1.00 0.00 N ATOM 0 H GLN A 18 11.400 0.647 26.996 1.00 0.00 H new ATOM 0 HA GLN A 18 11.728 3.558 27.621 1.00 0.00 H new ATOM 0 HB2 GLN A 18 13.689 1.361 26.791 1.00 0.00 H new ATOM 0 HB3 GLN A 18 14.136 3.043 26.993 1.00 0.00 H new ATOM 0 HG2 GLN A 18 13.344 2.968 29.376 1.00 0.00 H new ATOM 0 HG3 GLN A 18 12.897 1.286 29.174 1.00 0.00 H new ATOM 0 HE21 GLN A 18 15.141 2.786 30.802 1.00 0.00 H new ATOM 0 HE22 GLN A 18 16.595 1.864 30.404 1.00 0.00 H new ATOM 1083 N THR A 19 11.236 2.229 24.757 1.00 0.00 N ATOM 1084 CA THR A 19 11.093 2.495 23.292 1.00 0.00 C ATOM 1085 C THR A 19 9.654 2.923 22.999 1.00 0.00 C ATOM 1086 O THR A 19 8.709 2.249 23.360 1.00 0.00 O ATOM 1087 CB THR A 19 11.422 1.211 22.518 1.00 0.00 C ATOM 1088 OG1 THR A 19 12.704 0.745 22.912 1.00 0.00 O ATOM 1089 CG2 THR A 19 11.431 1.488 21.012 1.00 0.00 C ATOM 0 H THR A 19 10.780 1.376 25.082 1.00 0.00 H new ATOM 0 HA THR A 19 11.775 3.289 22.986 1.00 0.00 H new ATOM 0 HB THR A 19 10.664 0.459 22.738 1.00 0.00 H new ATOM 0 HG1 THR A 19 12.918 -0.076 22.422 1.00 0.00 H new ATOM 0 HG21 THR A 19 11.666 0.569 20.474 1.00 0.00 H new ATOM 0 HG22 THR A 19 10.450 1.849 20.703 1.00 0.00 H new ATOM 0 HG23 THR A 19 12.184 2.243 20.785 1.00 0.00 H new ATOM 1097 N THR A 20 9.480 4.042 22.349 1.00 0.00 N ATOM 1098 CA THR A 20 8.101 4.513 22.036 1.00 0.00 C ATOM 1099 C THR A 20 8.158 5.594 20.947 1.00 0.00 C ATOM 1100 O THR A 20 9.093 6.368 20.896 1.00 0.00 O ATOM 1101 CB THR A 20 7.482 5.120 23.299 1.00 0.00 C ATOM 1102 OG1 THR A 20 6.287 5.807 22.954 1.00 0.00 O ATOM 1103 CG2 THR A 20 8.473 6.101 23.930 1.00 0.00 C ATOM 0 H THR A 20 10.232 4.649 22.022 1.00 0.00 H new ATOM 0 HA THR A 20 7.502 3.672 21.687 1.00 0.00 H new ATOM 0 HB THR A 20 7.253 4.328 24.012 1.00 0.00 H new ATOM 0 HG1 THR A 20 6.332 6.729 23.284 1.00 0.00 H new ATOM 0 HG21 THR A 20 8.034 6.534 24.829 1.00 0.00 H new ATOM 0 HG22 THR A 20 9.390 5.574 24.192 1.00 0.00 H new ATOM 0 HG23 THR A 20 8.701 6.895 23.219 1.00 0.00 H new ATOM 1111 N PRO A 21 7.167 5.670 20.089 1.00 0.00 N ATOM 1112 CA PRO A 21 7.125 6.702 19.008 1.00 0.00 C ATOM 1113 C PRO A 21 6.904 8.111 19.580 1.00 0.00 C ATOM 1114 O PRO A 21 7.233 9.102 18.961 1.00 0.00 O ATOM 1115 CB PRO A 21 5.942 6.264 18.135 1.00 0.00 C ATOM 1116 CG PRO A 21 5.052 5.492 19.053 1.00 0.00 C ATOM 1117 CD PRO A 21 5.983 4.791 20.043 1.00 0.00 C ATOM 0 HA PRO A 21 8.061 6.764 18.453 1.00 0.00 H new ATOM 0 HB2 PRO A 21 5.423 7.124 17.713 1.00 0.00 H new ATOM 0 HB3 PRO A 21 6.275 5.650 17.298 1.00 0.00 H new ATOM 0 HG2 PRO A 21 4.357 6.153 19.571 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.453 4.769 18.500 1.00 0.00 H new ATOM 0 HD2 PRO A 21 5.521 4.690 21.025 1.00 0.00 H new ATOM 0 HD3 PRO A 21 6.242 3.787 19.707 1.00 0.00 H new ATOM 1125 N VAL A 22 6.349 8.201 20.760 1.00 0.00 N ATOM 1126 CA VAL A 22 6.106 9.539 21.377 1.00 0.00 C ATOM 1127 C VAL A 22 5.908 9.382 22.886 1.00 0.00 C ATOM 1128 O VAL A 22 5.278 8.452 23.350 1.00 0.00 O ATOM 1129 CB VAL A 22 4.856 10.179 20.765 1.00 0.00 C ATOM 1130 CG1 VAL A 22 3.665 9.229 20.908 1.00 0.00 C ATOM 1131 CG2 VAL A 22 4.549 11.490 21.495 1.00 0.00 C ATOM 0 H VAL A 22 6.053 7.405 21.324 1.00 0.00 H new ATOM 0 HA VAL A 22 6.968 10.178 21.186 1.00 0.00 H new ATOM 0 HB VAL A 22 5.033 10.378 19.708 1.00 0.00 H new ATOM 0 HG11 VAL A 22 2.778 9.689 20.471 1.00 0.00 H new ATOM 0 HG12 VAL A 22 3.881 8.294 20.391 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.486 9.026 21.964 1.00 0.00 H new ATOM 0 HG21 VAL A 22 3.660 11.948 21.062 1.00 0.00 H new ATOM 0 HG22 VAL A 22 4.374 11.286 22.551 1.00 0.00 H new ATOM 0 HG23 VAL A 22 5.394 12.170 21.392 1.00 0.00 H new ATOM 1141 N TRP A 23 6.456 10.285 23.656 1.00 0.00 N ATOM 1142 CA TRP A 23 6.321 10.203 25.143 1.00 0.00 C ATOM 1143 C TRP A 23 5.081 10.974 25.601 1.00 0.00 C ATOM 1144 O TRP A 23 4.870 12.113 25.233 1.00 0.00 O ATOM 1145 CB TRP A 23 7.572 10.801 25.801 1.00 0.00 C ATOM 1146 CG TRP A 23 8.703 9.827 25.696 1.00 0.00 C ATOM 1147 CD1 TRP A 23 9.782 9.964 24.892 1.00 0.00 C ATOM 1148 CD2 TRP A 23 8.876 8.564 26.400 1.00 0.00 C ATOM 1149 NE1 TRP A 23 10.609 8.870 25.063 1.00 0.00 N ATOM 1150 CE2 TRP A 23 10.092 7.976 25.981 1.00 0.00 C ATOM 1151 CE3 TRP A 23 8.101 7.882 27.353 1.00 0.00 C ATOM 1152 CZ2 TRP A 23 10.525 6.750 26.490 1.00 0.00 C ATOM 1153 CZ3 TRP A 23 8.532 6.651 27.868 1.00 0.00 C ATOM 1154 CH2 TRP A 23 9.739 6.086 27.436 1.00 0.00 C ATOM 0 H TRP A 23 6.995 11.082 23.317 1.00 0.00 H new ATOM 0 HA TRP A 23 6.216 9.158 25.436 1.00 0.00 H new ATOM 0 HB2 TRP A 23 7.839 11.739 25.314 1.00 0.00 H new ATOM 0 HB3 TRP A 23 7.371 11.031 26.847 1.00 0.00 H new ATOM 0 HD1 TRP A 23 9.967 10.793 24.225 1.00 0.00 H new ATOM 0 HE1 TRP A 23 11.493 8.739 24.572 1.00 0.00 H new ATOM 0 HE3 TRP A 23 7.168 8.308 27.691 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 11.457 6.319 26.156 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 7.930 6.136 28.602 1.00 0.00 H new ATOM 0 HH2 TRP A 23 10.063 5.136 27.835 1.00 0.00 H new ATOM 1165 N ARG A 24 4.262 10.353 26.411 1.00 0.00 N ATOM 1166 CA ARG A 24 3.027 11.024 26.919 1.00 0.00 C ATOM 1167 C ARG A 24 3.282 11.523 28.345 1.00 0.00 C ATOM 1168 O ARG A 24 4.266 11.172 28.967 1.00 0.00 O ATOM 1169 CB ARG A 24 1.874 10.012 26.960 1.00 0.00 C ATOM 1170 CG ARG A 24 1.522 9.516 25.550 1.00 0.00 C ATOM 1171 CD ARG A 24 0.608 10.516 24.831 1.00 0.00 C ATOM 1172 NE ARG A 24 0.430 10.091 23.415 1.00 0.00 N ATOM 1173 CZ ARG A 24 -0.570 10.549 22.714 1.00 0.00 C ATOM 1174 NH1 ARG A 24 -1.452 11.336 23.266 1.00 0.00 N ATOM 1175 NH2 ARG A 24 -0.698 10.207 21.461 1.00 0.00 N ATOM 0 H ARG A 24 4.398 9.399 26.746 1.00 0.00 H new ATOM 0 HA ARG A 24 2.770 11.856 26.263 1.00 0.00 H new ATOM 0 HB2 ARG A 24 2.152 9.165 27.588 1.00 0.00 H new ATOM 0 HB3 ARG A 24 0.998 10.473 27.416 1.00 0.00 H new ATOM 0 HG2 ARG A 24 2.435 9.371 24.972 1.00 0.00 H new ATOM 0 HG3 ARG A 24 1.028 8.546 25.614 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -0.359 10.567 25.332 1.00 0.00 H new ATOM 0 HD3 ARG A 24 1.041 11.516 24.871 1.00 0.00 H new ATOM 0 HE ARG A 24 1.092 9.440 22.992 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -1.361 11.595 24.248 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -2.233 11.693 22.715 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -0.016 9.582 21.031 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -1.480 10.565 20.912 1.00 0.00 H new ATOM 1189 N ARG A 25 2.394 12.327 28.869 1.00 0.00 N ATOM 1190 CA ARG A 25 2.555 12.846 30.263 1.00 0.00 C ATOM 1191 C ARG A 25 1.227 12.712 31.010 1.00 0.00 C ATOM 1192 O ARG A 25 0.175 12.592 30.413 1.00 0.00 O ATOM 1193 CB ARG A 25 2.959 14.323 30.240 1.00 0.00 C ATOM 1194 CG ARG A 25 4.398 14.465 29.744 1.00 0.00 C ATOM 1195 CD ARG A 25 4.809 15.938 29.818 1.00 0.00 C ATOM 1196 NE ARG A 25 3.905 16.756 28.962 1.00 0.00 N ATOM 1197 CZ ARG A 25 3.837 18.048 29.135 1.00 0.00 C ATOM 1198 NH1 ARG A 25 4.517 18.616 30.092 1.00 0.00 N ATOM 1199 NH2 ARG A 25 3.076 18.770 28.359 1.00 0.00 N ATOM 0 H ARG A 25 1.555 12.650 28.387 1.00 0.00 H new ATOM 0 HA ARG A 25 3.332 12.268 30.763 1.00 0.00 H new ATOM 0 HB2 ARG A 25 2.285 14.882 29.591 1.00 0.00 H new ATOM 0 HB3 ARG A 25 2.866 14.749 31.239 1.00 0.00 H new ATOM 0 HG2 ARG A 25 5.067 13.857 30.352 1.00 0.00 H new ATOM 0 HG3 ARG A 25 4.480 14.102 28.719 1.00 0.00 H new ATOM 0 HD2 ARG A 25 4.763 16.287 30.850 1.00 0.00 H new ATOM 0 HD3 ARG A 25 5.841 16.054 29.488 1.00 0.00 H new ATOM 0 HE ARG A 25 3.340 16.307 28.241 1.00 0.00 H new ATOM 0 HH11 ARG A 25 5.103 18.051 30.706 1.00 0.00 H new ATOM 0 HH12 ARG A 25 4.463 19.626 30.226 1.00 0.00 H new ATOM 0 HH21 ARG A 25 2.535 18.325 27.618 1.00 0.00 H new ATOM 0 HH22 ARG A 25 3.022 19.780 28.494 1.00 0.00 H new ATOM 1213 N ASN A 26 1.277 12.726 32.316 1.00 0.00 N ATOM 1214 CA ASN A 26 0.037 12.595 33.141 1.00 0.00 C ATOM 1215 C ASN A 26 -0.123 13.849 34.019 1.00 0.00 C ATOM 1216 O ASN A 26 0.857 14.366 34.510 1.00 0.00 O ATOM 1217 CB ASN A 26 0.199 11.374 34.049 1.00 0.00 C ATOM 1218 CG ASN A 26 -1.086 11.139 34.843 1.00 0.00 C ATOM 1219 OD1 ASN A 26 -1.165 11.482 36.006 1.00 0.00 O ATOM 1220 ND2 ASN A 26 -2.103 10.566 34.258 1.00 0.00 N ATOM 0 H ASN A 26 2.137 12.824 32.855 1.00 0.00 H new ATOM 0 HA ASN A 26 -0.836 12.485 32.498 1.00 0.00 H new ATOM 0 HB2 ASN A 26 0.432 10.494 33.450 1.00 0.00 H new ATOM 0 HB3 ASN A 26 1.035 11.526 34.731 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -2.966 10.405 34.777 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -2.034 10.279 33.282 1.00 0.00 H new ATOM 1227 N PRO A 27 -1.326 14.337 34.246 1.00 0.00 N ATOM 1228 CA PRO A 27 -1.549 15.531 35.124 1.00 0.00 C ATOM 1229 C PRO A 27 -0.749 15.475 36.437 1.00 0.00 C ATOM 1230 O PRO A 27 -0.736 16.422 37.199 1.00 0.00 O ATOM 1231 CB PRO A 27 -3.049 15.476 35.420 1.00 0.00 C ATOM 1232 CG PRO A 27 -3.646 14.845 34.208 1.00 0.00 C ATOM 1233 CD PRO A 27 -2.607 13.845 33.688 1.00 0.00 C ATOM 0 HA PRO A 27 -1.220 16.449 34.637 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -3.256 14.890 36.315 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -3.457 16.472 35.590 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -4.582 14.342 34.452 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -3.876 15.596 33.452 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -2.826 12.831 34.024 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -2.585 13.822 32.598 1.00 0.00 H new ATOM 1241 N GLU A 28 -0.066 14.391 36.699 1.00 0.00 N ATOM 1242 CA GLU A 28 0.749 14.293 37.947 1.00 0.00 C ATOM 1243 C GLU A 28 2.196 14.648 37.599 1.00 0.00 C ATOM 1244 O GLU A 28 3.035 14.833 38.458 1.00 0.00 O ATOM 1245 CB GLU A 28 0.691 12.858 38.477 1.00 0.00 C ATOM 1246 CG GLU A 28 -0.724 12.547 38.971 1.00 0.00 C ATOM 1247 CD GLU A 28 -0.775 11.112 39.501 1.00 0.00 C ATOM 1248 OE1 GLU A 28 0.211 10.409 39.348 1.00 0.00 O ATOM 1249 OE2 GLU A 28 -1.799 10.741 40.051 1.00 0.00 O ATOM 0 H GLU A 28 -0.037 13.566 36.100 1.00 0.00 H new ATOM 0 HA GLU A 28 0.364 14.972 38.708 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.974 12.158 37.691 1.00 0.00 H new ATOM 0 HB3 GLU A 28 1.406 12.731 39.290 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.008 13.247 39.757 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -1.440 12.672 38.159 1.00 0.00 H new ATOM 1256 N GLY A 29 2.480 14.731 36.329 1.00 0.00 N ATOM 1257 CA GLY A 29 3.854 15.059 35.864 1.00 0.00 C ATOM 1258 C GLY A 29 4.687 13.780 35.763 1.00 0.00 C ATOM 1259 O GLY A 29 5.883 13.826 35.548 1.00 0.00 O ATOM 0 H GLY A 29 1.803 14.582 35.581 1.00 0.00 H new ATOM 0 HA2 GLY A 29 3.811 15.553 34.893 1.00 0.00 H new ATOM 0 HA3 GLY A 29 4.325 15.757 36.556 1.00 0.00 H new ATOM 1263 N GLN A 30 4.069 12.637 35.903 1.00 0.00 N ATOM 1264 CA GLN A 30 4.835 11.362 35.799 1.00 0.00 C ATOM 1265 C GLN A 30 4.983 10.994 34.313 1.00 0.00 C ATOM 1266 O GLN A 30 4.051 11.150 33.549 1.00 0.00 O ATOM 1267 CB GLN A 30 4.071 10.253 36.525 1.00 0.00 C ATOM 1268 CG GLN A 30 3.948 10.605 38.009 1.00 0.00 C ATOM 1269 CD GLN A 30 3.492 9.372 38.792 1.00 0.00 C ATOM 1270 OE1 GLN A 30 4.299 8.655 39.348 1.00 0.00 O ATOM 1271 NE2 GLN A 30 2.220 9.092 38.860 1.00 0.00 N ATOM 0 H GLN A 30 3.071 12.532 36.084 1.00 0.00 H new ATOM 0 HA GLN A 30 5.819 11.479 36.252 1.00 0.00 H new ATOM 0 HB2 GLN A 30 3.081 10.131 36.086 1.00 0.00 H new ATOM 0 HB3 GLN A 30 4.591 9.302 36.408 1.00 0.00 H new ATOM 0 HG2 GLN A 30 4.907 10.957 38.391 1.00 0.00 H new ATOM 0 HG3 GLN A 30 3.234 11.418 38.143 1.00 0.00 H new ATOM 0 HE21 GLN A 30 1.540 9.693 38.394 1.00 0.00 H new ATOM 0 HE22 GLN A 30 1.905 8.272 39.379 1.00 0.00 H new ATOM 1280 N PRO A 31 6.128 10.512 33.891 1.00 0.00 N ATOM 1281 CA PRO A 31 6.353 10.129 32.464 1.00 0.00 C ATOM 1282 C PRO A 31 5.674 8.800 32.099 1.00 0.00 C ATOM 1283 O PRO A 31 5.646 7.867 32.876 1.00 0.00 O ATOM 1284 CB PRO A 31 7.877 10.008 32.372 1.00 0.00 C ATOM 1285 CG PRO A 31 8.287 9.565 33.735 1.00 0.00 C ATOM 1286 CD PRO A 31 7.338 10.275 34.704 1.00 0.00 C ATOM 0 HA PRO A 31 5.928 10.855 31.771 1.00 0.00 H new ATOM 0 HB2 PRO A 31 8.175 9.286 31.611 1.00 0.00 H new ATOM 0 HB3 PRO A 31 8.338 10.960 32.106 1.00 0.00 H new ATOM 0 HG2 PRO A 31 8.210 8.482 33.834 1.00 0.00 H new ATOM 0 HG3 PRO A 31 9.324 9.831 33.938 1.00 0.00 H new ATOM 0 HD2 PRO A 31 7.121 9.659 35.577 1.00 0.00 H new ATOM 0 HD3 PRO A 31 7.764 11.209 35.071 1.00 0.00 H new ATOM 1294 N LEU A 32 5.133 8.712 30.912 1.00 0.00 N ATOM 1295 CA LEU A 32 4.458 7.449 30.472 1.00 0.00 C ATOM 1296 C LEU A 32 4.760 7.193 28.995 1.00 0.00 C ATOM 1297 O LEU A 32 4.900 8.115 28.216 1.00 0.00 O ATOM 1298 CB LEU A 32 2.940 7.578 30.643 1.00 0.00 C ATOM 1299 CG LEU A 32 2.552 7.719 32.121 1.00 0.00 C ATOM 1300 CD1 LEU A 32 1.067 8.080 32.201 1.00 0.00 C ATOM 1301 CD2 LEU A 32 2.781 6.397 32.867 1.00 0.00 C ATOM 0 H LEU A 32 5.128 9.464 30.223 1.00 0.00 H new ATOM 0 HA LEU A 32 4.829 6.624 31.080 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.582 8.445 30.087 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.449 6.702 30.218 1.00 0.00 H new ATOM 0 HG LEU A 32 3.166 8.494 32.580 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.774 8.184 33.246 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.893 9.021 31.679 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.475 7.292 31.735 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.500 6.516 33.913 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.172 5.614 32.415 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.833 6.121 32.803 1.00 0.00 H new ATOM 1313 N CYS A 33 4.829 5.948 28.590 1.00 0.00 N ATOM 1314 CA CYS A 33 5.089 5.656 27.154 1.00 0.00 C ATOM 1315 C CYS A 33 3.815 5.953 26.364 1.00 0.00 C ATOM 1316 O CYS A 33 2.839 6.433 26.907 1.00 0.00 O ATOM 1317 CB CYS A 33 5.511 4.192 26.964 1.00 0.00 C ATOM 1318 SG CYS A 33 4.098 3.086 27.196 1.00 0.00 S ATOM 0 H CYS A 33 4.717 5.130 29.189 1.00 0.00 H new ATOM 0 HA CYS A 33 5.905 6.282 26.793 1.00 0.00 H new ATOM 0 HB2 CYS A 33 5.927 4.055 25.966 1.00 0.00 H new ATOM 0 HB3 CYS A 33 6.298 3.940 27.675 1.00 0.00 H new ATOM 0 HG CYS A 33 4.452 2.080 27.939 1.00 0.00 H new ATOM 1323 N ASN A 34 3.814 5.695 25.088 1.00 0.00 N ATOM 1324 CA ASN A 34 2.600 5.994 24.276 1.00 0.00 C ATOM 1325 C ASN A 34 1.443 5.044 24.614 1.00 0.00 C ATOM 1326 O ASN A 34 0.306 5.460 24.702 1.00 0.00 O ATOM 1327 CB ASN A 34 2.943 5.873 22.790 1.00 0.00 C ATOM 1328 CG ASN A 34 3.379 4.443 22.460 1.00 0.00 C ATOM 1329 OD1 ASN A 34 3.896 3.690 23.394 1.00 0.00 O flip ATOM 1330 ND2 ASN A 34 3.262 4.011 21.332 1.00 0.00 N flip ATOM 0 H ASN A 34 4.596 5.292 24.572 1.00 0.00 H new ATOM 0 HA ASN A 34 2.278 7.009 24.509 1.00 0.00 H new ATOM 0 HB2 ASN A 34 2.077 6.145 22.187 1.00 0.00 H new ATOM 0 HB3 ASN A 34 3.740 6.571 22.536 1.00 0.00 H new ATOM 0 HD21 ASN A 34 2.859 4.597 20.601 1.00 0.00 H new ATOM 0 HD22 ASN A 34 3.567 3.062 21.115 1.00 0.00 H new ATOM 1337 N ALA A 35 1.703 3.776 24.770 1.00 0.00 N ATOM 1338 CA ALA A 35 0.597 2.816 25.063 1.00 0.00 C ATOM 1339 C ALA A 35 -0.069 3.102 26.417 1.00 0.00 C ATOM 1340 O ALA A 35 -1.275 3.220 26.504 1.00 0.00 O ATOM 1341 CB ALA A 35 1.152 1.391 25.043 1.00 0.00 C ATOM 0 H ALA A 35 2.633 3.361 24.708 1.00 0.00 H new ATOM 0 HA ALA A 35 -0.168 2.933 24.295 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.349 0.685 25.256 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.571 1.178 24.060 1.00 0.00 H new ATOM 0 HB3 ALA A 35 1.931 1.293 25.799 1.00 0.00 H new ATOM 1347 N CYS A 36 0.689 3.184 27.478 1.00 0.00 N ATOM 1348 CA CYS A 36 0.070 3.426 28.817 1.00 0.00 C ATOM 1349 C CYS A 36 -0.716 4.738 28.821 1.00 0.00 C ATOM 1350 O CYS A 36 -1.813 4.813 29.333 1.00 0.00 O ATOM 1351 CB CYS A 36 1.159 3.515 29.889 1.00 0.00 C ATOM 1352 SG CYS A 36 2.011 1.926 30.050 1.00 0.00 S ATOM 0 H CYS A 36 1.705 3.095 27.478 1.00 0.00 H new ATOM 0 HA CYS A 36 -0.603 2.596 29.029 1.00 0.00 H new ATOM 0 HB2 CYS A 36 1.874 4.294 29.627 1.00 0.00 H new ATOM 0 HB3 CYS A 36 0.717 3.797 30.844 1.00 0.00 H new ATOM 0 HG CYS A 36 3.269 2.132 30.306 1.00 0.00 H new ATOM 1357 N GLY A 37 -0.166 5.779 28.264 1.00 0.00 N ATOM 1358 CA GLY A 37 -0.893 7.079 28.264 1.00 0.00 C ATOM 1359 C GLY A 37 -2.234 6.928 27.543 1.00 0.00 C ATOM 1360 O GLY A 37 -3.256 7.373 28.023 1.00 0.00 O ATOM 0 H GLY A 37 0.748 5.788 27.812 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.057 7.413 29.288 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.290 7.842 27.772 1.00 0.00 H new ATOM 1364 N LEU A 38 -2.240 6.313 26.392 1.00 0.00 N ATOM 1365 CA LEU A 38 -3.516 6.145 25.641 1.00 0.00 C ATOM 1366 C LEU A 38 -4.443 5.149 26.350 1.00 0.00 C ATOM 1367 O LEU A 38 -5.583 5.444 26.642 1.00 0.00 O ATOM 1368 CB LEU A 38 -3.203 5.600 24.245 1.00 0.00 C ATOM 1369 CG LEU A 38 -2.435 6.643 23.422 1.00 0.00 C ATOM 1370 CD1 LEU A 38 -1.781 5.956 22.217 1.00 0.00 C ATOM 1371 CD2 LEU A 38 -3.392 7.740 22.922 1.00 0.00 C ATOM 0 H LEU A 38 -1.415 5.919 25.939 1.00 0.00 H new ATOM 0 HA LEU A 38 -4.012 7.114 25.582 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.613 4.687 24.328 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.129 5.336 23.735 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.671 7.098 24.052 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.234 6.694 21.630 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -1.092 5.187 22.566 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.552 5.498 21.597 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.833 8.473 22.340 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -4.164 7.292 22.296 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.858 8.233 23.775 1.00 0.00 H new ATOM 1383 N PHE A 39 -3.968 3.959 26.597 1.00 0.00 N ATOM 1384 CA PHE A 39 -4.819 2.917 27.247 1.00 0.00 C ATOM 1385 C PHE A 39 -5.191 3.296 28.683 1.00 0.00 C ATOM 1386 O PHE A 39 -6.334 3.208 29.085 1.00 0.00 O ATOM 1387 CB PHE A 39 -4.044 1.600 27.279 1.00 0.00 C ATOM 1388 CG PHE A 39 -4.956 0.479 27.726 1.00 0.00 C ATOM 1389 CD1 PHE A 39 -5.188 0.262 29.091 1.00 0.00 C ATOM 1390 CD2 PHE A 39 -5.562 -0.350 26.773 1.00 0.00 C ATOM 1391 CE1 PHE A 39 -6.028 -0.782 29.502 1.00 0.00 C ATOM 1392 CE2 PHE A 39 -6.396 -1.397 27.184 1.00 0.00 C ATOM 1393 CZ PHE A 39 -6.630 -1.612 28.549 1.00 0.00 C ATOM 0 H PHE A 39 -3.019 3.660 26.375 1.00 0.00 H new ATOM 0 HA PHE A 39 -5.739 2.825 26.669 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -3.641 1.381 26.290 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -3.195 1.683 27.958 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -4.719 0.899 29.826 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -5.386 -0.181 25.721 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -6.211 -0.946 30.554 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -6.859 -2.039 26.449 1.00 0.00 H new ATOM 0 HZ PHE A 39 -7.275 -2.418 28.866 1.00 0.00 H new ATOM 1403 N LEU A 40 -4.224 3.669 29.474 1.00 0.00 N ATOM 1404 CA LEU A 40 -4.509 3.994 30.902 1.00 0.00 C ATOM 1405 C LEU A 40 -5.507 5.153 31.012 1.00 0.00 C ATOM 1406 O LEU A 40 -6.487 5.066 31.726 1.00 0.00 O ATOM 1407 CB LEU A 40 -3.193 4.361 31.594 1.00 0.00 C ATOM 1408 CG LEU A 40 -3.344 4.267 33.122 1.00 0.00 C ATOM 1409 CD1 LEU A 40 -3.354 2.795 33.577 1.00 0.00 C ATOM 1410 CD2 LEU A 40 -2.170 4.994 33.786 1.00 0.00 C ATOM 0 H LEU A 40 -3.248 3.763 29.194 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.955 3.125 31.386 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.400 3.692 31.259 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.897 5.372 31.313 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.288 4.729 33.413 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.462 2.750 34.661 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.189 2.275 33.107 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.419 2.318 33.285 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.270 4.932 34.870 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.233 4.528 33.480 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.171 6.040 33.481 1.00 0.00 H new ATOM 1422 N LYS A 41 -5.275 6.235 30.322 1.00 0.00 N ATOM 1423 CA LYS A 41 -6.218 7.388 30.404 1.00 0.00 C ATOM 1424 C LYS A 41 -7.605 6.967 29.905 1.00 0.00 C ATOM 1425 O LYS A 41 -8.617 7.324 30.476 1.00 0.00 O ATOM 1426 CB LYS A 41 -5.694 8.533 29.533 1.00 0.00 C ATOM 1427 CG LYS A 41 -6.625 9.745 29.642 1.00 0.00 C ATOM 1428 CD LYS A 41 -6.097 10.870 28.752 1.00 0.00 C ATOM 1429 CE LYS A 41 -6.926 12.132 28.987 1.00 0.00 C ATOM 1430 NZ LYS A 41 -6.676 12.639 30.364 1.00 0.00 N ATOM 0 H LYS A 41 -4.474 6.372 29.705 1.00 0.00 H new ATOM 0 HA LYS A 41 -6.294 7.715 31.441 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.687 8.808 29.847 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -5.626 8.209 28.495 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -7.635 9.470 29.339 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -6.683 10.082 30.677 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -5.048 11.064 28.975 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -6.151 10.576 27.704 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -6.663 12.895 28.254 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -7.986 11.914 28.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -6.901 13.653 30.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -7.276 12.122 31.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -5.676 12.496 30.610 1.00 0.00 H new ATOM 1444 N LEU A 42 -7.657 6.231 28.829 1.00 0.00 N ATOM 1445 CA LEU A 42 -8.976 5.808 28.271 1.00 0.00 C ATOM 1446 C LEU A 42 -9.662 4.787 29.183 1.00 0.00 C ATOM 1447 O LEU A 42 -10.864 4.812 29.356 1.00 0.00 O ATOM 1448 CB LEU A 42 -8.761 5.146 26.908 1.00 0.00 C ATOM 1449 CG LEU A 42 -8.331 6.178 25.863 1.00 0.00 C ATOM 1450 CD1 LEU A 42 -7.936 5.438 24.580 1.00 0.00 C ATOM 1451 CD2 LEU A 42 -9.483 7.161 25.574 1.00 0.00 C ATOM 0 H LEU A 42 -6.842 5.903 28.310 1.00 0.00 H new ATOM 0 HA LEU A 42 -9.602 6.696 28.185 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -8.001 4.369 26.992 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -9.681 4.658 26.587 1.00 0.00 H new ATOM 0 HG LEU A 42 -7.483 6.750 26.239 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -7.627 6.160 23.824 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -7.111 4.758 24.792 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -8.789 4.869 24.211 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -9.162 7.889 24.829 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -10.345 6.611 25.196 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -9.758 7.679 26.493 1.00 0.00 H new ATOM 1463 N HIS A 43 -8.922 3.867 29.734 1.00 0.00 N ATOM 1464 CA HIS A 43 -9.553 2.820 30.588 1.00 0.00 C ATOM 1465 C HIS A 43 -9.757 3.326 32.016 1.00 0.00 C ATOM 1466 O HIS A 43 -10.806 3.133 32.600 1.00 0.00 O ATOM 1467 CB HIS A 43 -8.645 1.592 30.605 1.00 0.00 C ATOM 1468 CG HIS A 43 -8.648 0.969 29.237 1.00 0.00 C ATOM 1469 ND1 HIS A 43 -8.039 1.577 28.151 1.00 0.00 N ATOM 1470 CD2 HIS A 43 -9.193 -0.197 28.758 1.00 0.00 C ATOM 1471 CE1 HIS A 43 -8.231 0.784 27.083 1.00 0.00 C ATOM 1472 NE2 HIS A 43 -8.927 -0.312 27.396 1.00 0.00 N ATOM 0 H HIS A 43 -7.910 3.793 29.631 1.00 0.00 H new ATOM 0 HA HIS A 43 -10.530 2.567 30.176 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -7.631 1.876 30.888 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -8.994 0.874 31.347 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -7.537 2.465 28.160 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -9.744 -0.915 29.348 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -7.866 1.006 26.091 1.00 0.00 H new ATOM 1480 N GLY A 44 -8.788 3.985 32.586 1.00 0.00 N ATOM 1481 CA GLY A 44 -8.965 4.509 33.969 1.00 0.00 C ATOM 1482 C GLY A 44 -8.856 3.382 34.999 1.00 0.00 C ATOM 1483 O GLY A 44 -9.148 3.581 36.161 1.00 0.00 O ATOM 0 H GLY A 44 -7.884 4.183 32.157 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -8.210 5.268 34.174 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -9.937 4.994 34.057 1.00 0.00 H new ATOM 1487 N VAL A 45 -8.447 2.203 34.597 1.00 0.00 N ATOM 1488 CA VAL A 45 -8.330 1.069 35.570 1.00 0.00 C ATOM 1489 C VAL A 45 -6.989 0.356 35.383 1.00 0.00 C ATOM 1490 O VAL A 45 -6.264 0.603 34.441 1.00 0.00 O ATOM 1491 CB VAL A 45 -9.481 0.081 35.362 1.00 0.00 C ATOM 1492 CG1 VAL A 45 -10.789 0.745 35.800 1.00 0.00 C ATOM 1493 CG2 VAL A 45 -9.579 -0.316 33.886 1.00 0.00 C ATOM 0 H VAL A 45 -8.189 1.976 33.637 1.00 0.00 H new ATOM 0 HA VAL A 45 -8.382 1.465 36.584 1.00 0.00 H new ATOM 0 HB VAL A 45 -9.299 -0.816 35.954 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -11.616 0.050 35.656 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -10.724 1.018 36.853 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -10.960 1.641 35.203 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -10.401 -1.019 33.752 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -9.759 0.573 33.281 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -8.646 -0.785 33.573 1.00 0.00 H new ATOM 1503 N VAL A 46 -6.653 -0.521 36.290 1.00 0.00 N ATOM 1504 CA VAL A 46 -5.355 -1.247 36.188 1.00 0.00 C ATOM 1505 C VAL A 46 -5.204 -1.836 34.785 1.00 0.00 C ATOM 1506 O VAL A 46 -6.172 -2.212 34.153 1.00 0.00 O ATOM 1507 CB VAL A 46 -5.316 -2.361 37.238 1.00 0.00 C ATOM 1508 CG1 VAL A 46 -5.505 -1.747 38.628 1.00 0.00 C ATOM 1509 CG2 VAL A 46 -6.442 -3.364 36.974 1.00 0.00 C ATOM 0 H VAL A 46 -7.223 -0.766 37.099 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.531 -0.556 36.368 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.356 -2.875 37.184 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -5.478 -2.535 39.381 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -4.705 -1.033 38.822 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -6.467 -1.236 38.672 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.409 -4.154 37.724 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -7.404 -2.854 37.027 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -6.316 -3.800 35.983 1.00 0.00 H new ATOM 1519 N ARG A 47 -3.991 -1.906 34.295 1.00 0.00 N ATOM 1520 CA ARG A 47 -3.740 -2.457 32.927 1.00 0.00 C ATOM 1521 C ARG A 47 -2.789 -3.660 33.034 1.00 0.00 C ATOM 1522 O ARG A 47 -1.769 -3.573 33.689 1.00 0.00 O ATOM 1523 CB ARG A 47 -3.077 -1.371 32.071 1.00 0.00 C ATOM 1524 CG ARG A 47 -2.916 -1.870 30.629 1.00 0.00 C ATOM 1525 CD ARG A 47 -2.173 -0.824 29.785 1.00 0.00 C ATOM 1526 NE ARG A 47 -0.704 -1.036 29.927 1.00 0.00 N ATOM 1527 CZ ARG A 47 0.126 -0.487 29.083 1.00 0.00 C ATOM 1528 NH1 ARG A 47 -0.320 0.276 28.124 1.00 0.00 N ATOM 1529 NH2 ARG A 47 1.407 -0.701 29.202 1.00 0.00 N ATOM 0 H ARG A 47 -3.154 -1.601 34.791 1.00 0.00 H new ATOM 0 HA ARG A 47 -4.680 -2.770 32.474 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -3.681 -0.464 32.086 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -2.103 -1.112 32.486 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -2.366 -2.811 30.622 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -3.895 -2.070 30.194 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -2.466 -0.909 28.738 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -2.441 0.181 30.111 1.00 0.00 H new ATOM 0 HE ARG A 47 -0.346 -1.613 30.688 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -1.321 0.446 28.031 1.00 0.00 H new ATOM 0 HH12 ARG A 47 0.333 0.703 27.467 1.00 0.00 H new ATOM 0 HH21 ARG A 47 1.757 -1.296 29.953 1.00 0.00 H new ATOM 0 HH22 ARG A 47 2.059 -0.274 28.544 1.00 0.00 H new ATOM 1543 N PRO A 48 -3.087 -4.772 32.400 1.00 0.00 N ATOM 1544 CA PRO A 48 -2.191 -5.961 32.457 1.00 0.00 C ATOM 1545 C PRO A 48 -0.919 -5.714 31.644 1.00 0.00 C ATOM 1546 O PRO A 48 -0.901 -5.847 30.437 1.00 0.00 O ATOM 1547 CB PRO A 48 -3.035 -7.093 31.859 1.00 0.00 C ATOM 1548 CG PRO A 48 -4.017 -6.415 30.959 1.00 0.00 C ATOM 1549 CD PRO A 48 -4.278 -5.032 31.566 1.00 0.00 C ATOM 0 HA PRO A 48 -1.854 -6.194 33.467 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -2.414 -7.797 31.305 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -3.542 -7.661 32.639 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -3.620 -6.327 29.948 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -4.941 -6.989 30.890 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -4.396 -4.273 30.792 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -5.191 -5.024 32.162 1.00 0.00 H new ATOM 1557 N LEU A 49 0.142 -5.353 32.307 1.00 0.00 N ATOM 1558 CA LEU A 49 1.419 -5.088 31.589 1.00 0.00 C ATOM 1559 C LEU A 49 1.838 -6.357 30.841 1.00 0.00 C ATOM 1560 O LEU A 49 2.751 -6.347 30.039 1.00 0.00 O ATOM 1561 CB LEU A 49 2.499 -4.684 32.596 1.00 0.00 C ATOM 1562 CG LEU A 49 1.966 -3.574 33.512 1.00 0.00 C ATOM 1563 CD1 LEU A 49 3.056 -3.188 34.514 1.00 0.00 C ATOM 1564 CD2 LEU A 49 1.579 -2.336 32.687 1.00 0.00 C ATOM 0 H LEU A 49 0.181 -5.229 33.319 1.00 0.00 H new ATOM 0 HA LEU A 49 1.286 -4.275 30.875 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.796 -5.548 33.191 1.00 0.00 H new ATOM 0 HB3 LEU A 49 3.389 -4.338 32.070 1.00 0.00 H new ATOM 0 HG LEU A 49 1.083 -3.940 34.035 1.00 0.00 H new ATOM 0 HD11 LEU A 49 2.685 -2.399 35.169 1.00 0.00 H new ATOM 0 HD12 LEU A 49 3.326 -4.059 35.111 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.934 -2.830 33.976 1.00 0.00 H new ATOM 0 HD21 LEU A 49 1.203 -1.559 33.352 1.00 0.00 H new ATOM 0 HD22 LEU A 49 2.455 -1.965 32.154 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.804 -2.605 31.969 1.00 0.00 H new ATOM 1576 N SER A 50 1.167 -7.450 31.092 1.00 0.00 N ATOM 1577 CA SER A 50 1.517 -8.718 30.390 1.00 0.00 C ATOM 1578 C SER A 50 1.359 -8.505 28.883 1.00 0.00 C ATOM 1579 O SER A 50 1.866 -9.265 28.081 1.00 0.00 O ATOM 1580 CB SER A 50 0.577 -9.837 30.848 1.00 0.00 C ATOM 1581 OG SER A 50 1.063 -11.085 30.371 1.00 0.00 O ATOM 0 H SER A 50 0.393 -7.519 31.752 1.00 0.00 H new ATOM 0 HA SER A 50 2.545 -8.998 30.622 1.00 0.00 H new ATOM 0 HB2 SER A 50 0.513 -9.851 31.936 1.00 0.00 H new ATOM 0 HB3 SER A 50 -0.430 -9.658 30.471 1.00 0.00 H new ATOM 0 HG SER A 50 0.464 -11.803 30.664 1.00 0.00 H new ATOM 1587 N LEU A 51 0.669 -7.467 28.492 1.00 0.00 N ATOM 1588 CA LEU A 51 0.487 -7.190 27.038 1.00 0.00 C ATOM 1589 C LEU A 51 1.763 -6.552 26.495 1.00 0.00 C ATOM 1590 O LEU A 51 2.209 -6.848 25.403 1.00 0.00 O ATOM 1591 CB LEU A 51 -0.646 -6.182 26.844 1.00 0.00 C ATOM 1592 CG LEU A 51 -1.983 -6.746 27.332 1.00 0.00 C ATOM 1593 CD1 LEU A 51 -2.992 -5.601 27.385 1.00 0.00 C ATOM 1594 CD2 LEU A 51 -2.493 -7.825 26.368 1.00 0.00 C ATOM 0 H LEU A 51 0.223 -6.797 29.119 1.00 0.00 H new ATOM 0 HA LEU A 51 0.260 -8.123 26.523 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.416 -5.265 27.386 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.724 -5.918 25.789 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.854 -7.194 28.317 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -3.954 -5.979 27.731 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.636 -4.834 28.072 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.107 -5.171 26.390 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.444 -8.216 26.729 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.631 -7.392 25.377 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.766 -8.635 26.311 1.00 0.00 H new ATOM 1606 N LYS A 52 2.337 -5.662 27.254 1.00 0.00 N ATOM 1607 CA LYS A 52 3.575 -4.958 26.813 1.00 0.00 C ATOM 1608 C LYS A 52 4.565 -5.938 26.180 1.00 0.00 C ATOM 1609 O LYS A 52 4.585 -7.113 26.490 1.00 0.00 O ATOM 1610 CB LYS A 52 4.211 -4.288 28.037 1.00 0.00 C ATOM 1611 CG LYS A 52 5.538 -3.589 27.662 1.00 0.00 C ATOM 1612 CD LYS A 52 6.731 -4.459 28.077 1.00 0.00 C ATOM 1613 CE LYS A 52 8.036 -3.752 27.712 1.00 0.00 C ATOM 1614 NZ LYS A 52 9.186 -4.560 28.207 1.00 0.00 N ATOM 0 H LYS A 52 1.996 -5.388 28.175 1.00 0.00 H new ATOM 0 HA LYS A 52 3.319 -4.211 26.061 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.518 -3.559 28.457 1.00 0.00 H new ATOM 0 HB3 LYS A 52 4.395 -5.035 28.809 1.00 0.00 H new ATOM 0 HG2 LYS A 52 5.569 -3.404 26.588 1.00 0.00 H new ATOM 0 HG3 LYS A 52 5.598 -2.618 28.154 1.00 0.00 H new ATOM 0 HD2 LYS A 52 6.698 -4.651 29.149 1.00 0.00 H new ATOM 0 HD3 LYS A 52 6.679 -5.427 27.578 1.00 0.00 H new ATOM 0 HE2 LYS A 52 8.104 -3.624 26.632 1.00 0.00 H new ATOM 0 HE3 LYS A 52 8.059 -2.756 28.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 9.860 -3.939 28.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 8.841 -5.287 28.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 9.660 -5.018 27.403 1.00 0.00 H new ATOM 1628 N THR A 53 5.402 -5.443 25.307 1.00 0.00 N ATOM 1629 CA THR A 53 6.426 -6.301 24.641 1.00 0.00 C ATOM 1630 C THR A 53 7.647 -5.445 24.313 1.00 0.00 C ATOM 1631 O THR A 53 7.616 -4.238 24.436 1.00 0.00 O ATOM 1632 CB THR A 53 5.873 -6.883 23.339 1.00 0.00 C ATOM 1633 OG1 THR A 53 6.936 -7.480 22.610 1.00 0.00 O ATOM 1634 CG2 THR A 53 5.233 -5.771 22.500 1.00 0.00 C ATOM 0 H THR A 53 5.419 -4.464 25.023 1.00 0.00 H new ATOM 0 HA THR A 53 6.694 -7.118 25.311 1.00 0.00 H new ATOM 0 HB THR A 53 5.116 -7.633 23.568 1.00 0.00 H new ATOM 0 HG1 THR A 53 6.589 -7.857 21.775 1.00 0.00 H new ATOM 0 HG21 THR A 53 4.842 -6.193 21.574 1.00 0.00 H new ATOM 0 HG22 THR A 53 4.419 -5.313 23.063 1.00 0.00 H new ATOM 0 HG23 THR A 53 5.982 -5.015 22.266 1.00 0.00 H new ATOM 1642 N ASP A 54 8.725 -6.051 23.897 1.00 0.00 N ATOM 1643 CA ASP A 54 9.945 -5.258 23.567 1.00 0.00 C ATOM 1644 C ASP A 54 9.943 -4.931 22.073 1.00 0.00 C ATOM 1645 O ASP A 54 10.875 -4.349 21.554 1.00 0.00 O ATOM 1646 CB ASP A 54 11.183 -6.092 23.895 1.00 0.00 C ATOM 1647 CG ASP A 54 11.293 -6.266 25.411 1.00 0.00 C ATOM 1648 OD1 ASP A 54 10.628 -5.529 26.121 1.00 0.00 O ATOM 1649 OD2 ASP A 54 12.031 -7.139 25.835 1.00 0.00 O ATOM 0 H ASP A 54 8.815 -7.059 23.771 1.00 0.00 H new ATOM 0 HA ASP A 54 9.955 -4.334 24.146 1.00 0.00 H new ATOM 0 HB2 ASP A 54 11.118 -7.066 23.410 1.00 0.00 H new ATOM 0 HB3 ASP A 54 12.077 -5.603 23.508 1.00 0.00 H new ATOM 1654 N VAL A 55 8.891 -5.294 21.384 1.00 0.00 N ATOM 1655 CA VAL A 55 8.785 -5.008 19.919 1.00 0.00 C ATOM 1656 C VAL A 55 7.494 -4.227 19.654 1.00 0.00 C ATOM 1657 O VAL A 55 6.466 -4.497 20.244 1.00 0.00 O ATOM 1658 CB VAL A 55 8.751 -6.323 19.135 1.00 0.00 C ATOM 1659 CG1 VAL A 55 8.589 -6.022 17.643 1.00 0.00 C ATOM 1660 CG2 VAL A 55 10.059 -7.083 19.361 1.00 0.00 C ATOM 0 H VAL A 55 8.089 -5.784 21.780 1.00 0.00 H new ATOM 0 HA VAL A 55 9.647 -4.422 19.600 1.00 0.00 H new ATOM 0 HB VAL A 55 7.913 -6.930 19.477 1.00 0.00 H new ATOM 0 HG11 VAL A 55 8.565 -6.957 17.084 1.00 0.00 H new ATOM 0 HG12 VAL A 55 7.659 -5.478 17.481 1.00 0.00 H new ATOM 0 HG13 VAL A 55 9.428 -5.416 17.301 1.00 0.00 H new ATOM 0 HG21 VAL A 55 10.037 -8.019 18.804 1.00 0.00 H new ATOM 0 HG22 VAL A 55 10.897 -6.476 19.017 1.00 0.00 H new ATOM 0 HG23 VAL A 55 10.177 -7.296 20.423 1.00 0.00 H new ATOM 1670 N ILE A 56 7.543 -3.270 18.761 1.00 0.00 N ATOM 1671 CA ILE A 56 6.328 -2.463 18.428 1.00 0.00 C ATOM 1672 C ILE A 56 5.950 -2.699 16.964 1.00 0.00 C ATOM 1673 O ILE A 56 6.785 -2.662 16.082 1.00 0.00 O ATOM 1674 CB ILE A 56 6.618 -0.977 18.662 1.00 0.00 C ATOM 1675 CG1 ILE A 56 6.981 -0.763 20.135 1.00 0.00 C ATOM 1676 CG2 ILE A 56 5.374 -0.157 18.314 1.00 0.00 C ATOM 1677 CD1 ILE A 56 7.484 0.669 20.343 1.00 0.00 C ATOM 0 H ILE A 56 8.382 -3.011 18.243 1.00 0.00 H new ATOM 0 HA ILE A 56 5.499 -2.767 19.067 1.00 0.00 H new ATOM 0 HB ILE A 56 7.448 -0.658 18.032 1.00 0.00 H new ATOM 0 HG12 ILE A 56 6.110 -0.947 20.764 1.00 0.00 H new ATOM 0 HG13 ILE A 56 7.749 -1.475 20.437 1.00 0.00 H new ATOM 0 HG21 ILE A 56 5.578 0.901 18.480 1.00 0.00 H new ATOM 0 HG22 ILE A 56 5.114 -0.317 17.268 1.00 0.00 H new ATOM 0 HG23 ILE A 56 4.543 -0.470 18.946 1.00 0.00 H new ATOM 0 HD11 ILE A 56 7.741 0.816 21.392 1.00 0.00 H new ATOM 0 HD12 ILE A 56 8.367 0.838 19.726 1.00 0.00 H new ATOM 0 HD13 ILE A 56 6.703 1.374 20.059 1.00 0.00 H new ATOM 1689 N LYS A 57 4.698 -2.960 16.699 1.00 0.00 N ATOM 1690 CA LYS A 57 4.264 -3.217 15.296 1.00 0.00 C ATOM 1691 C LYS A 57 4.075 -1.885 14.564 1.00 0.00 C ATOM 1692 O LYS A 57 3.406 -0.988 15.039 1.00 0.00 O ATOM 1693 CB LYS A 57 2.941 -3.988 15.307 1.00 0.00 C ATOM 1694 CG LYS A 57 2.581 -4.411 13.881 1.00 0.00 C ATOM 1695 CD LYS A 57 1.395 -5.381 13.915 1.00 0.00 C ATOM 1696 CE LYS A 57 0.139 -4.656 14.407 1.00 0.00 C ATOM 1697 NZ LYS A 57 -1.069 -5.434 14.013 1.00 0.00 N ATOM 0 H LYS A 57 3.955 -3.006 17.396 1.00 0.00 H new ATOM 0 HA LYS A 57 5.024 -3.805 14.782 1.00 0.00 H new ATOM 0 HB2 LYS A 57 3.026 -4.866 15.947 1.00 0.00 H new ATOM 0 HB3 LYS A 57 2.149 -3.365 15.723 1.00 0.00 H new ATOM 0 HG2 LYS A 57 2.330 -3.535 13.284 1.00 0.00 H new ATOM 0 HG3 LYS A 57 3.439 -4.886 13.405 1.00 0.00 H new ATOM 0 HD2 LYS A 57 1.222 -5.791 12.920 1.00 0.00 H new ATOM 0 HD3 LYS A 57 1.621 -6.221 14.572 1.00 0.00 H new ATOM 0 HE2 LYS A 57 0.173 -4.541 15.490 1.00 0.00 H new ATOM 0 HE3 LYS A 57 0.094 -3.654 13.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -1.923 -4.942 14.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -1.103 -5.522 12.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -1.026 -6.381 14.440 1.00 0.00 H new ATOM 1711 N LYS A 58 4.654 -1.755 13.402 1.00 0.00 N ATOM 1712 CA LYS A 58 4.507 -0.494 12.618 1.00 0.00 C ATOM 1713 C LYS A 58 3.306 -0.616 11.676 1.00 0.00 C ATOM 1714 O LYS A 58 3.165 -1.588 10.959 1.00 0.00 O ATOM 1715 CB LYS A 58 5.779 -0.254 11.802 1.00 0.00 C ATOM 1716 CG LYS A 58 6.942 0.025 12.763 1.00 0.00 C ATOM 1717 CD LYS A 58 8.217 0.380 11.985 1.00 0.00 C ATOM 1718 CE LYS A 58 8.813 -0.872 11.330 1.00 0.00 C ATOM 1719 NZ LYS A 58 10.103 -0.516 10.673 1.00 0.00 N ATOM 0 H LYS A 58 5.227 -2.473 12.958 1.00 0.00 H new ATOM 0 HA LYS A 58 4.348 0.343 13.297 1.00 0.00 H new ATOM 0 HB2 LYS A 58 6.001 -1.125 11.185 1.00 0.00 H new ATOM 0 HB3 LYS A 58 5.639 0.589 11.125 1.00 0.00 H new ATOM 0 HG2 LYS A 58 6.679 0.844 13.432 1.00 0.00 H new ATOM 0 HG3 LYS A 58 7.123 -0.850 13.387 1.00 0.00 H new ATOM 0 HD2 LYS A 58 7.989 1.123 11.221 1.00 0.00 H new ATOM 0 HD3 LYS A 58 8.948 0.828 12.658 1.00 0.00 H new ATOM 0 HE2 LYS A 58 8.975 -1.647 12.079 1.00 0.00 H new ATOM 0 HE3 LYS A 58 8.118 -1.279 10.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 10.511 -1.363 10.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 9.934 0.210 9.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 10.765 -0.147 11.385 1.00 0.00 H new ATOM 1733 N ARG A 59 2.440 0.365 11.667 1.00 0.00 N ATOM 1734 CA ARG A 59 1.249 0.314 10.768 1.00 0.00 C ATOM 1735 C ARG A 59 1.542 1.133 9.511 1.00 0.00 C ATOM 1736 O ARG A 59 2.658 1.553 9.276 1.00 0.00 O ATOM 1737 CB ARG A 59 0.028 0.910 11.473 1.00 0.00 C ATOM 1738 CG ARG A 59 -0.381 0.027 12.655 1.00 0.00 C ATOM 1739 CD ARG A 59 -1.805 0.387 13.095 1.00 0.00 C ATOM 1740 NE ARG A 59 -1.877 1.835 13.439 1.00 0.00 N ATOM 1741 CZ ARG A 59 -3.038 2.427 13.525 1.00 0.00 C ATOM 1742 NH1 ARG A 59 -4.135 1.745 13.335 1.00 0.00 N ATOM 1743 NH2 ARG A 59 -3.102 3.701 13.803 1.00 0.00 N ATOM 0 H ARG A 59 2.507 1.202 12.246 1.00 0.00 H new ATOM 0 HA ARG A 59 1.042 -0.724 10.508 1.00 0.00 H new ATOM 0 HB2 ARG A 59 0.256 1.917 11.823 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -0.801 0.997 10.770 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -0.332 -1.024 12.371 1.00 0.00 H new ATOM 0 HG3 ARG A 59 0.313 0.166 13.484 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -2.511 0.158 12.297 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -2.092 -0.215 13.957 1.00 0.00 H new ATOM 0 HE ARG A 59 -1.021 2.363 13.607 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -4.086 0.749 13.119 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -5.041 2.208 13.402 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -2.245 4.234 13.953 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -4.009 4.163 13.870 1.00 0.00 H new ATOM 1757 N ASN A 60 0.559 1.322 8.677 1.00 0.00 N ATOM 1758 CA ASN A 60 0.789 2.064 7.408 1.00 0.00 C ATOM 1759 C ASN A 60 1.085 3.540 7.676 1.00 0.00 C ATOM 1760 O ASN A 60 0.797 4.080 8.726 1.00 0.00 O ATOM 1761 CB ASN A 60 -0.459 1.961 6.527 1.00 0.00 C ATOM 1762 CG ASN A 60 -0.599 0.530 6.011 1.00 0.00 C ATOM 1763 OD1 ASN A 60 0.357 -0.219 5.991 1.00 0.00 O ATOM 1764 ND2 ASN A 60 -1.761 0.113 5.588 1.00 0.00 N ATOM 0 H ASN A 60 -0.396 0.994 8.820 1.00 0.00 H new ATOM 0 HA ASN A 60 1.649 1.621 6.906 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -1.344 2.242 7.097 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -0.385 2.656 5.690 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -1.865 -0.841 5.241 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -2.565 0.741 5.604 1.00 0.00 H new