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 160:sc= 1.31 USER MOD Set 1.2: A 15 CYS SG : rot -61:sc= 0.199 USER MOD Set 1.3: A 17 THR OG1 : rot 88:sc= -0.776! USER MOD Set 1.4: A 33 CYS SG : rot -132:sc= 0.996 USER MOD Set 1.5: A 36 CYS SG : rot 150:sc= 0.278 USER MOD Set 2.1: A 20 THR OG1 : rot -118:sc= -0.25 USER MOD Set 2.2: A 34 ASN : amide:sc= -9.36! K(o=-9.6!,f=-1.5) USER MOD Set 3.1: A 13 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 14 ASN : amide:sc= -4.6! K(o=-4.6!,f=-1.9) USER MOD Single : A 11 THR OG1 : rot 27:sc= 0.135 USER MOD Single : A 18 GLN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -3.32! C(o=-3.3!,f=-15!) USER MOD Single : A 30 GLN : amide:sc= -1.59! K(o=-1.6!,f=-0.011) USER MOD Single : A 41 LYS NZ :NH3+ 162:sc= -0.0246 (180deg=-0.465) USER MOD Single : A 43 HIS : no HE2:sc= -8.28! C(o=-8.3!,f=-15!) USER MOD Single : A 50 SER OG : rot -25:sc= 0.112 USER MOD Single : A 52 LYS NZ :NH3+ 158:sc= -0.295 (180deg=-1.27) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.205 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -176:sc= 0.0405 (180deg=0.0388) USER MOD Single : A 60 ASN : amide:sc= -0.105 X(o=-0.11,f=0) USER MOD ----------------------------------------------------------------- ATOM 970 N THR A 11 12.034 7.079 31.202 1.00 0.00 N ATOM 971 CA THR A 11 11.642 5.639 31.335 1.00 0.00 C ATOM 972 C THR A 11 10.163 5.535 31.715 1.00 0.00 C ATOM 973 O THR A 11 9.701 6.204 32.619 1.00 0.00 O ATOM 974 CB THR A 11 12.487 4.989 32.434 1.00 0.00 C ATOM 975 OG1 THR A 11 13.864 5.123 32.113 1.00 0.00 O ATOM 976 CG2 THR A 11 12.131 3.505 32.560 1.00 0.00 C ATOM 0 HA THR A 11 11.808 5.131 30.385 1.00 0.00 H new ATOM 0 HB THR A 11 12.283 5.485 33.383 1.00 0.00 H new ATOM 0 HG1 THR A 11 13.994 5.917 31.553 1.00 0.00 H new ATOM 0 HG21 THR A 11 12.737 3.051 33.344 1.00 0.00 H new ATOM 0 HG22 THR A 11 11.076 3.404 32.813 1.00 0.00 H new ATOM 0 HG23 THR A 11 12.327 3.002 31.613 1.00 0.00 H new ATOM 984 N CYS A 12 9.412 4.695 31.048 1.00 0.00 N ATOM 985 CA CYS A 12 7.969 4.558 31.401 1.00 0.00 C ATOM 986 C CYS A 12 7.846 3.967 32.805 1.00 0.00 C ATOM 987 O CYS A 12 8.099 2.799 33.029 1.00 0.00 O ATOM 988 CB CYS A 12 7.260 3.650 30.395 1.00 0.00 C ATOM 989 SG CYS A 12 5.482 3.967 30.489 1.00 0.00 S ATOM 0 H CYS A 12 9.733 4.104 30.281 1.00 0.00 H new ATOM 0 HA CYS A 12 7.500 5.542 31.374 1.00 0.00 H new ATOM 0 HB2 CYS A 12 7.626 3.843 29.387 1.00 0.00 H new ATOM 0 HB3 CYS A 12 7.470 2.603 30.616 1.00 0.00 H new ATOM 0 HG CYS A 12 4.909 3.552 29.398 1.00 0.00 H new ATOM 994 N THR A 13 7.451 4.776 33.747 1.00 0.00 N ATOM 995 CA THR A 13 7.306 4.300 35.151 1.00 0.00 C ATOM 996 C THR A 13 6.155 3.303 35.266 1.00 0.00 C ATOM 997 O THR A 13 5.980 2.673 36.289 1.00 0.00 O ATOM 998 CB THR A 13 7.027 5.499 36.060 1.00 0.00 C ATOM 999 OG1 THR A 13 5.844 6.153 35.623 1.00 0.00 O ATOM 1000 CG2 THR A 13 8.203 6.480 36.009 1.00 0.00 C ATOM 0 H THR A 13 7.220 5.759 33.602 1.00 0.00 H new ATOM 0 HA THR A 13 8.229 3.804 35.452 1.00 0.00 H new ATOM 0 HB THR A 13 6.899 5.151 37.085 1.00 0.00 H new ATOM 0 HG1 THR A 13 5.661 6.921 36.204 1.00 0.00 H new ATOM 0 HG21 THR A 13 7.996 7.330 36.659 1.00 0.00 H new ATOM 0 HG22 THR A 13 9.110 5.978 36.346 1.00 0.00 H new ATOM 0 HG23 THR A 13 8.341 6.830 34.986 1.00 0.00 H new ATOM 1008 N ASN A 14 5.358 3.160 34.240 1.00 0.00 N ATOM 1009 CA ASN A 14 4.209 2.211 34.310 1.00 0.00 C ATOM 1010 C ASN A 14 4.570 0.885 33.636 1.00 0.00 C ATOM 1011 O ASN A 14 4.095 -0.158 34.042 1.00 0.00 O ATOM 1012 CB ASN A 14 3.003 2.836 33.607 1.00 0.00 C ATOM 1013 CG ASN A 14 2.448 3.972 34.469 1.00 0.00 C ATOM 1014 OD1 ASN A 14 1.380 4.488 34.204 1.00 0.00 O ATOM 1015 ND2 ASN A 14 3.137 4.390 35.496 1.00 0.00 N ATOM 0 H ASN A 14 5.453 3.660 33.356 1.00 0.00 H new ATOM 0 HA ASN A 14 3.969 2.014 35.355 1.00 0.00 H new ATOM 0 HB2 ASN A 14 3.295 3.216 32.628 1.00 0.00 H new ATOM 0 HB3 ASN A 14 2.234 2.082 33.440 1.00 0.00 H new ATOM 0 HD21 ASN A 14 2.779 5.149 36.075 1.00 0.00 H new ATOM 0 HD22 ASN A 14 4.033 3.957 35.719 1.00 0.00 H new ATOM 1022 N CYS A 15 5.386 0.896 32.605 1.00 0.00 N ATOM 1023 CA CYS A 15 5.738 -0.390 31.920 1.00 0.00 C ATOM 1024 C CYS A 15 7.230 -0.428 31.565 1.00 0.00 C ATOM 1025 O CYS A 15 7.692 -1.346 30.917 1.00 0.00 O ATOM 1026 CB CYS A 15 4.883 -0.549 30.655 1.00 0.00 C ATOM 1027 SG CYS A 15 5.568 0.429 29.294 1.00 0.00 S ATOM 0 H CYS A 15 5.819 1.732 32.212 1.00 0.00 H new ATOM 0 HA CYS A 15 5.533 -1.218 32.599 1.00 0.00 H new ATOM 0 HB2 CYS A 15 4.840 -1.600 30.369 1.00 0.00 H new ATOM 0 HB3 CYS A 15 3.860 -0.232 30.859 1.00 0.00 H new ATOM 0 HG CYS A 15 5.575 1.686 29.624 1.00 0.00 H new ATOM 1032 N PHE A 16 7.988 0.542 32.005 1.00 0.00 N ATOM 1033 CA PHE A 16 9.459 0.559 31.735 1.00 0.00 C ATOM 1034 C PHE A 16 9.772 0.550 30.239 1.00 0.00 C ATOM 1035 O PHE A 16 10.923 0.501 29.850 1.00 0.00 O ATOM 1036 CB PHE A 16 10.123 -0.645 32.407 1.00 0.00 C ATOM 1037 CG PHE A 16 9.901 -0.544 33.894 1.00 0.00 C ATOM 1038 CD1 PHE A 16 10.770 0.226 34.675 1.00 0.00 C ATOM 1039 CD2 PHE A 16 8.819 -1.203 34.488 1.00 0.00 C ATOM 1040 CE1 PHE A 16 10.560 0.335 36.054 1.00 0.00 C ATOM 1041 CE2 PHE A 16 8.607 -1.093 35.867 1.00 0.00 C ATOM 1042 CZ PHE A 16 9.478 -0.325 36.650 1.00 0.00 C ATOM 0 H PHE A 16 7.646 1.335 32.548 1.00 0.00 H new ATOM 0 HA PHE A 16 9.856 1.486 32.149 1.00 0.00 H new ATOM 0 HB2 PHE A 16 9.701 -1.574 32.023 1.00 0.00 H new ATOM 0 HB3 PHE A 16 11.190 -0.663 32.183 1.00 0.00 H new ATOM 0 HD1 PHE A 16 11.603 0.736 34.213 1.00 0.00 H new ATOM 0 HD2 PHE A 16 8.149 -1.796 33.883 1.00 0.00 H new ATOM 0 HE1 PHE A 16 11.231 0.927 36.658 1.00 0.00 H new ATOM 0 HE2 PHE A 16 7.772 -1.600 36.327 1.00 0.00 H new ATOM 0 HZ PHE A 16 9.315 -0.242 37.714 1.00 0.00 H new ATOM 1052 N THR A 17 8.788 0.588 29.387 1.00 0.00 N ATOM 1053 CA THR A 17 9.095 0.569 27.930 1.00 0.00 C ATOM 1054 C THR A 17 10.057 1.713 27.613 1.00 0.00 C ATOM 1055 O THR A 17 9.802 2.856 27.933 1.00 0.00 O ATOM 1056 CB THR A 17 7.798 0.761 27.135 1.00 0.00 C ATOM 1057 OG1 THR A 17 7.014 -0.418 27.222 1.00 0.00 O ATOM 1058 CG2 THR A 17 8.112 1.055 25.667 1.00 0.00 C ATOM 0 H THR A 17 7.798 0.631 29.630 1.00 0.00 H new ATOM 0 HA THR A 17 9.549 -0.384 27.659 1.00 0.00 H new ATOM 0 HB THR A 17 7.248 1.604 27.554 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.441 -0.372 28.016 1.00 0.00 H new ATOM 0 HG21 THR A 17 7.181 1.189 25.116 1.00 0.00 H new ATOM 0 HG22 THR A 17 8.709 1.964 25.598 1.00 0.00 H new ATOM 0 HG23 THR A 17 8.670 0.221 25.240 1.00 0.00 H new ATOM 1066 N GLN A 18 11.160 1.409 26.981 1.00 0.00 N ATOM 1067 CA GLN A 18 12.153 2.467 26.625 1.00 0.00 C ATOM 1068 C GLN A 18 11.984 2.823 25.147 1.00 0.00 C ATOM 1069 O GLN A 18 12.417 3.862 24.691 1.00 0.00 O ATOM 1070 CB GLN A 18 13.568 1.929 26.868 1.00 0.00 C ATOM 1071 CG GLN A 18 14.603 3.000 26.510 1.00 0.00 C ATOM 1072 CD GLN A 18 16.009 2.469 26.786 1.00 0.00 C ATOM 1073 OE1 GLN A 18 16.284 1.304 26.580 1.00 0.00 O ATOM 1074 NE2 GLN A 18 16.921 3.286 27.240 1.00 0.00 N ATOM 0 H GLN A 18 11.418 0.465 26.694 1.00 0.00 H new ATOM 0 HA GLN A 18 11.994 3.355 27.237 1.00 0.00 H new ATOM 0 HB2 GLN A 18 13.681 1.637 27.912 1.00 0.00 H new ATOM 0 HB3 GLN A 18 13.734 1.035 26.267 1.00 0.00 H new ATOM 0 HG2 GLN A 18 14.507 3.275 25.460 1.00 0.00 H new ATOM 0 HG3 GLN A 18 14.423 3.903 27.094 1.00 0.00 H new ATOM 0 HE21 GLN A 18 16.689 4.264 27.413 1.00 0.00 H new ATOM 0 HE22 GLN A 18 17.865 2.946 27.422 1.00 0.00 H new ATOM 1083 N THR A 19 11.357 1.958 24.393 1.00 0.00 N ATOM 1084 CA THR A 19 11.156 2.217 22.936 1.00 0.00 C ATOM 1085 C THR A 19 9.722 2.701 22.698 1.00 0.00 C ATOM 1086 O THR A 19 8.769 2.035 23.053 1.00 0.00 O ATOM 1087 CB THR A 19 11.413 0.917 22.164 1.00 0.00 C ATOM 1088 OG1 THR A 19 12.683 0.402 22.537 1.00 0.00 O ATOM 1089 CG2 THR A 19 11.401 1.202 20.663 1.00 0.00 C ATOM 0 H THR A 19 10.972 1.075 24.728 1.00 0.00 H new ATOM 0 HA THR A 19 11.847 2.986 22.590 1.00 0.00 H new ATOM 0 HB THR A 19 10.635 0.190 22.398 1.00 0.00 H new ATOM 0 HG1 THR A 19 12.855 -0.430 22.049 1.00 0.00 H new ATOM 0 HG21 THR A 19 11.584 0.277 20.116 1.00 0.00 H new ATOM 0 HG22 THR A 19 10.430 1.607 20.377 1.00 0.00 H new ATOM 0 HG23 THR A 19 12.180 1.925 20.424 1.00 0.00 H new ATOM 1097 N THR A 20 9.558 3.861 22.114 1.00 0.00 N ATOM 1098 CA THR A 20 8.179 4.382 21.878 1.00 0.00 C ATOM 1099 C THR A 20 8.209 5.495 20.814 1.00 0.00 C ATOM 1100 O THR A 20 9.154 6.254 20.744 1.00 0.00 O ATOM 1101 CB THR A 20 7.638 4.950 23.195 1.00 0.00 C ATOM 1102 OG1 THR A 20 6.363 5.534 22.976 1.00 0.00 O ATOM 1103 CG2 THR A 20 8.597 6.013 23.744 1.00 0.00 C ATOM 0 H THR A 20 10.314 4.466 21.793 1.00 0.00 H new ATOM 0 HA THR A 20 7.538 3.574 21.524 1.00 0.00 H new ATOM 0 HB THR A 20 7.550 4.140 23.918 1.00 0.00 H new ATOM 0 HG1 THR A 20 6.402 6.491 23.182 1.00 0.00 H new ATOM 0 HG21 THR A 20 8.203 6.410 24.680 1.00 0.00 H new ATOM 0 HG22 THR A 20 9.574 5.564 23.923 1.00 0.00 H new ATOM 0 HG23 THR A 20 8.697 6.822 23.020 1.00 0.00 H new ATOM 1111 N PRO A 21 7.183 5.606 19.996 1.00 0.00 N ATOM 1112 CA PRO A 21 7.113 6.659 18.937 1.00 0.00 C ATOM 1113 C PRO A 21 6.926 8.056 19.536 1.00 0.00 C ATOM 1114 O PRO A 21 7.218 9.056 18.911 1.00 0.00 O ATOM 1115 CB PRO A 21 5.892 6.258 18.096 1.00 0.00 C ATOM 1116 CG PRO A 21 5.032 5.455 19.017 1.00 0.00 C ATOM 1117 CD PRO A 21 5.985 4.746 19.981 1.00 0.00 C ATOM 0 HA PRO A 21 8.032 6.715 18.354 1.00 0.00 H new ATOM 0 HB2 PRO A 21 5.362 7.136 17.727 1.00 0.00 H new ATOM 0 HB3 PRO A 21 6.188 5.675 17.224 1.00 0.00 H new ATOM 0 HG2 PRO A 21 4.337 6.096 19.558 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.433 4.734 18.461 1.00 0.00 H new ATOM 0 HD2 PRO A 21 5.549 4.651 20.976 1.00 0.00 H new ATOM 0 HD3 PRO A 21 6.221 3.738 19.639 1.00 0.00 H new ATOM 1125 N VAL A 22 6.432 8.130 20.740 1.00 0.00 N ATOM 1126 CA VAL A 22 6.220 9.463 21.367 1.00 0.00 C ATOM 1127 C VAL A 22 5.992 9.301 22.869 1.00 0.00 C ATOM 1128 O VAL A 22 5.348 8.376 23.324 1.00 0.00 O ATOM 1129 CB VAL A 22 5.003 10.142 20.738 1.00 0.00 C ATOM 1130 CG1 VAL A 22 3.748 9.314 21.020 1.00 0.00 C ATOM 1131 CG2 VAL A 22 4.840 11.540 21.337 1.00 0.00 C ATOM 0 H VAL A 22 6.167 7.330 21.314 1.00 0.00 H new ATOM 0 HA VAL A 22 7.105 10.078 21.201 1.00 0.00 H new ATOM 0 HB VAL A 22 5.146 10.220 19.660 1.00 0.00 H new ATOM 0 HG11 VAL A 22 2.882 9.801 20.570 1.00 0.00 H new ATOM 0 HG12 VAL A 22 3.866 8.318 20.594 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.600 9.233 22.097 1.00 0.00 H new ATOM 0 HG21 VAL A 22 3.973 12.028 20.891 1.00 0.00 H new ATOM 0 HG22 VAL A 22 4.697 11.460 22.415 1.00 0.00 H new ATOM 0 HG23 VAL A 22 5.733 12.130 21.133 1.00 0.00 H new ATOM 1141 N TRP A 23 6.535 10.205 23.636 1.00 0.00 N ATOM 1142 CA TRP A 23 6.384 10.140 25.117 1.00 0.00 C ATOM 1143 C TRP A 23 5.153 10.938 25.549 1.00 0.00 C ATOM 1144 O TRP A 23 4.952 12.065 25.140 1.00 0.00 O ATOM 1145 CB TRP A 23 7.637 10.727 25.766 1.00 0.00 C ATOM 1146 CG TRP A 23 8.774 9.776 25.577 1.00 0.00 C ATOM 1147 CD1 TRP A 23 9.803 9.948 24.717 1.00 0.00 C ATOM 1148 CD2 TRP A 23 9.004 8.501 26.242 1.00 0.00 C ATOM 1149 NE1 TRP A 23 10.656 8.865 24.817 1.00 0.00 N ATOM 1150 CE2 TRP A 23 10.207 7.945 25.744 1.00 0.00 C ATOM 1151 CE3 TRP A 23 8.295 7.784 27.220 1.00 0.00 C ATOM 1152 CZ2 TRP A 23 10.688 6.717 26.202 1.00 0.00 C ATOM 1153 CZ3 TRP A 23 8.776 6.549 27.683 1.00 0.00 C ATOM 1154 CH2 TRP A 23 9.969 6.019 27.175 1.00 0.00 C ATOM 0 H TRP A 23 7.083 10.995 23.296 1.00 0.00 H new ATOM 0 HA TRP A 23 6.257 9.104 25.430 1.00 0.00 H new ATOM 0 HB2 TRP A 23 7.875 11.692 25.319 1.00 0.00 H new ATOM 0 HB3 TRP A 23 7.464 10.901 26.828 1.00 0.00 H new ATOM 0 HD1 TRP A 23 9.937 10.794 24.059 1.00 0.00 H new ATOM 0 HE1 TRP A 23 11.512 8.758 24.273 1.00 0.00 H new ATOM 0 HE3 TRP A 23 7.375 8.185 27.618 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 11.608 6.311 25.808 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 8.223 6.005 28.435 1.00 0.00 H new ATOM 0 HH2 TRP A 23 10.334 5.069 27.536 1.00 0.00 H new ATOM 1165 N ARG A 24 4.329 10.354 26.377 1.00 0.00 N ATOM 1166 CA ARG A 24 3.099 11.056 26.855 1.00 0.00 C ATOM 1167 C ARG A 24 3.356 11.624 28.253 1.00 0.00 C ATOM 1168 O ARG A 24 4.321 11.279 28.906 1.00 0.00 O ATOM 1169 CB ARG A 24 1.939 10.054 26.917 1.00 0.00 C ATOM 1170 CG ARG A 24 1.532 9.612 25.500 1.00 0.00 C ATOM 1171 CD ARG A 24 0.533 10.601 24.883 1.00 0.00 C ATOM 1172 NE ARG A 24 0.422 10.350 23.417 1.00 0.00 N ATOM 1173 CZ ARG A 24 -0.635 10.746 22.761 1.00 0.00 C ATOM 1174 NH1 ARG A 24 -1.619 11.328 23.389 1.00 0.00 N ATOM 1175 NH2 ARG A 24 -0.710 10.544 21.473 1.00 0.00 N ATOM 0 H ARG A 24 4.455 9.412 26.747 1.00 0.00 H new ATOM 0 HA ARG A 24 2.846 11.867 26.172 1.00 0.00 H new ATOM 0 HB2 ARG A 24 2.233 9.185 27.505 1.00 0.00 H new ATOM 0 HB3 ARG A 24 1.086 10.507 27.422 1.00 0.00 H new ATOM 0 HG2 ARG A 24 2.418 9.542 24.868 1.00 0.00 H new ATOM 0 HG3 ARG A 24 1.088 8.617 25.538 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -0.443 10.491 25.356 1.00 0.00 H new ATOM 0 HD3 ARG A 24 0.861 11.625 25.063 1.00 0.00 H new ATOM 0 HE ARG A 24 1.174 9.867 22.925 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -1.565 11.475 24.397 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -2.443 11.636 22.872 1.00 0.00 H new ATOM 0 HH21 ARG A 24 0.055 10.079 20.984 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -1.534 10.851 20.956 1.00 0.00 H new ATOM 1189 N ARG A 25 2.489 12.486 28.717 1.00 0.00 N ATOM 1190 CA ARG A 25 2.646 13.091 30.076 1.00 0.00 C ATOM 1191 C ARG A 25 1.321 12.924 30.821 1.00 0.00 C ATOM 1192 O ARG A 25 0.283 12.768 30.209 1.00 0.00 O ATOM 1193 CB ARG A 25 2.962 14.587 29.947 1.00 0.00 C ATOM 1194 CG ARG A 25 4.360 14.807 29.349 1.00 0.00 C ATOM 1195 CD ARG A 25 5.441 14.632 30.427 1.00 0.00 C ATOM 1196 NE ARG A 25 6.771 15.102 29.917 1.00 0.00 N ATOM 1197 CZ ARG A 25 7.295 14.640 28.812 1.00 0.00 C ATOM 1198 NH1 ARG A 25 6.760 13.628 28.189 1.00 0.00 N ATOM 1199 NH2 ARG A 25 8.405 15.157 28.360 1.00 0.00 N ATOM 0 H ARG A 25 1.666 12.802 28.205 1.00 0.00 H new ATOM 0 HA ARG A 25 3.459 12.601 30.613 1.00 0.00 H new ATOM 0 HB2 ARG A 25 2.214 15.067 29.316 1.00 0.00 H new ATOM 0 HB3 ARG A 25 2.904 15.060 30.927 1.00 0.00 H new ATOM 0 HG2 ARG A 25 4.530 14.100 28.537 1.00 0.00 H new ATOM 0 HG3 ARG A 25 4.425 15.807 28.920 1.00 0.00 H new ATOM 0 HD2 ARG A 25 5.167 15.195 31.320 1.00 0.00 H new ATOM 0 HD3 ARG A 25 5.506 13.584 30.718 1.00 0.00 H new ATOM 0 HE ARG A 25 7.283 15.805 30.450 1.00 0.00 H new ATOM 0 HH11 ARG A 25 5.921 13.185 28.563 1.00 0.00 H new ATOM 0 HH12 ARG A 25 7.181 13.279 27.328 1.00 0.00 H new ATOM 0 HH21 ARG A 25 8.858 15.917 28.868 1.00 0.00 H new ATOM 0 HH22 ARG A 25 8.819 14.801 27.498 1.00 0.00 H new ATOM 1213 N ASN A 26 1.346 12.933 32.131 1.00 0.00 N ATOM 1214 CA ASN A 26 0.084 12.753 32.919 1.00 0.00 C ATOM 1215 C ASN A 26 -0.088 13.932 33.892 1.00 0.00 C ATOM 1216 O ASN A 26 0.886 14.425 34.418 1.00 0.00 O ATOM 1217 CB ASN A 26 0.207 11.443 33.707 1.00 0.00 C ATOM 1218 CG ASN A 26 -0.943 11.305 34.705 1.00 0.00 C ATOM 1219 OD1 ASN A 26 -1.188 12.193 35.498 1.00 0.00 O ATOM 1220 ND2 ASN A 26 -1.664 10.216 34.703 1.00 0.00 N ATOM 0 H ASN A 26 2.189 13.058 32.692 1.00 0.00 H new ATOM 0 HA ASN A 26 -0.781 12.718 32.257 1.00 0.00 H new ATOM 0 HB2 ASN A 26 0.202 10.597 33.020 1.00 0.00 H new ATOM 0 HB3 ASN A 26 1.160 11.419 34.236 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -2.432 10.111 35.366 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -1.459 9.470 34.038 1.00 0.00 H new ATOM 1227 N PRO A 27 -1.301 14.385 34.146 1.00 0.00 N ATOM 1228 CA PRO A 27 -1.559 15.508 35.102 1.00 0.00 C ATOM 1229 C PRO A 27 -0.728 15.426 36.392 1.00 0.00 C ATOM 1230 O PRO A 27 -0.733 16.340 37.194 1.00 0.00 O ATOM 1231 CB PRO A 27 -3.047 15.354 35.420 1.00 0.00 C ATOM 1232 CG PRO A 27 -3.640 14.819 34.161 1.00 0.00 C ATOM 1233 CD PRO A 27 -2.568 13.912 33.541 1.00 0.00 C ATOM 0 HA PRO A 27 -1.283 16.469 34.668 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -3.207 14.673 36.256 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -3.495 16.308 35.697 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -4.553 14.260 34.366 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -3.908 15.628 33.481 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -2.752 12.863 33.771 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -2.549 14.002 32.455 1.00 0.00 H new ATOM 1241 N GLU A 28 -0.002 14.358 36.596 1.00 0.00 N ATOM 1242 CA GLU A 28 0.841 14.236 37.825 1.00 0.00 C ATOM 1243 C GLU A 28 2.284 14.610 37.472 1.00 0.00 C ATOM 1244 O GLU A 28 3.106 14.858 38.331 1.00 0.00 O ATOM 1245 CB GLU A 28 0.799 12.791 38.326 1.00 0.00 C ATOM 1246 CG GLU A 28 -0.600 12.477 38.862 1.00 0.00 C ATOM 1247 CD GLU A 28 -0.847 13.269 40.146 1.00 0.00 C ATOM 1248 OE1 GLU A 28 0.123 13.606 40.806 1.00 0.00 O ATOM 1249 OE2 GLU A 28 -2.001 13.524 40.449 1.00 0.00 O ATOM 0 H GLU A 28 0.044 13.561 35.962 1.00 0.00 H new ATOM 0 HA GLU A 28 0.465 14.900 38.603 1.00 0.00 H new ATOM 0 HB2 GLU A 28 1.052 12.107 37.516 1.00 0.00 H new ATOM 0 HB3 GLU A 28 1.542 12.645 39.110 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.352 12.732 38.115 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -0.694 11.409 39.058 1.00 0.00 H new ATOM 1256 N GLY A 29 2.586 14.654 36.202 1.00 0.00 N ATOM 1257 CA GLY A 29 3.961 15.013 35.752 1.00 0.00 C ATOM 1258 C GLY A 29 4.829 13.760 35.620 1.00 0.00 C ATOM 1259 O GLY A 29 6.018 13.847 35.381 1.00 0.00 O ATOM 0 H GLY A 29 1.929 14.454 35.448 1.00 0.00 H new ATOM 0 HA2 GLY A 29 3.912 15.531 34.794 1.00 0.00 H new ATOM 0 HA3 GLY A 29 4.414 15.702 36.464 1.00 0.00 H new ATOM 1263 N GLN A 30 4.257 12.593 35.760 1.00 0.00 N ATOM 1264 CA GLN A 30 5.069 11.346 35.626 1.00 0.00 C ATOM 1265 C GLN A 30 5.185 10.974 34.137 1.00 0.00 C ATOM 1266 O GLN A 30 4.217 11.063 33.408 1.00 0.00 O ATOM 1267 CB GLN A 30 4.385 10.207 36.388 1.00 0.00 C ATOM 1268 CG GLN A 30 4.293 10.573 37.872 1.00 0.00 C ATOM 1269 CD GLN A 30 3.831 9.357 38.679 1.00 0.00 C ATOM 1270 OE1 GLN A 30 3.600 9.456 39.868 1.00 0.00 O ATOM 1271 NE2 GLN A 30 3.685 8.207 38.081 1.00 0.00 N ATOM 0 H GLN A 30 3.267 12.449 35.960 1.00 0.00 H new ATOM 0 HA GLN A 30 6.064 11.510 36.040 1.00 0.00 H new ATOM 0 HB2 GLN A 30 3.389 10.030 35.983 1.00 0.00 H new ATOM 0 HB3 GLN A 30 4.948 9.282 36.264 1.00 0.00 H new ATOM 0 HG2 GLN A 30 5.264 10.913 38.233 1.00 0.00 H new ATOM 0 HG3 GLN A 30 3.595 11.399 38.010 1.00 0.00 H new ATOM 0 HE21 GLN A 30 3.879 8.123 37.083 1.00 0.00 H new ATOM 0 HE22 GLN A 30 3.377 7.392 38.611 1.00 0.00 H new ATOM 1280 N PRO A 31 6.345 10.561 33.672 1.00 0.00 N ATOM 1281 CA PRO A 31 6.544 10.181 32.238 1.00 0.00 C ATOM 1282 C PRO A 31 5.903 8.832 31.889 1.00 0.00 C ATOM 1283 O PRO A 31 5.989 7.883 32.639 1.00 0.00 O ATOM 1284 CB PRO A 31 8.069 10.102 32.097 1.00 0.00 C ATOM 1285 CG PRO A 31 8.553 9.735 33.461 1.00 0.00 C ATOM 1286 CD PRO A 31 7.594 10.411 34.443 1.00 0.00 C ATOM 0 HA PRO A 31 6.075 10.897 31.563 1.00 0.00 H new ATOM 0 HB2 PRO A 31 8.361 9.356 31.358 1.00 0.00 H new ATOM 0 HB3 PRO A 31 8.487 11.054 31.771 1.00 0.00 H new ATOM 0 HG2 PRO A 31 8.553 8.654 33.597 1.00 0.00 H new ATOM 0 HG3 PRO A 31 9.576 10.076 33.617 1.00 0.00 H new ATOM 0 HD2 PRO A 31 7.442 9.804 35.335 1.00 0.00 H new ATOM 0 HD3 PRO A 31 7.977 11.376 34.775 1.00 0.00 H new ATOM 1294 N LEU A 32 5.287 8.748 30.739 1.00 0.00 N ATOM 1295 CA LEU A 32 4.647 7.466 30.304 1.00 0.00 C ATOM 1296 C LEU A 32 4.916 7.255 28.812 1.00 0.00 C ATOM 1297 O LEU A 32 5.055 8.200 28.061 1.00 0.00 O ATOM 1298 CB LEU A 32 3.130 7.543 30.498 1.00 0.00 C ATOM 1299 CG LEU A 32 2.775 7.793 31.968 1.00 0.00 C ATOM 1300 CD1 LEU A 32 1.271 8.058 32.069 1.00 0.00 C ATOM 1301 CD2 LEU A 32 3.126 6.566 32.821 1.00 0.00 C ATOM 0 H LEU A 32 5.198 9.518 30.076 1.00 0.00 H new ATOM 0 HA LEU A 32 5.059 6.649 30.897 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.721 8.343 29.881 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.669 6.614 30.162 1.00 0.00 H new ATOM 0 HG LEU A 32 3.342 8.649 32.334 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.002 8.238 33.110 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.015 8.933 31.472 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.723 7.192 31.697 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.868 6.761 33.862 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.566 5.702 32.463 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.194 6.363 32.744 1.00 0.00 H new ATOM 1313 N CYS A 33 4.966 6.027 28.369 1.00 0.00 N ATOM 1314 CA CYS A 33 5.196 5.774 26.919 1.00 0.00 C ATOM 1315 C CYS A 33 3.897 6.061 26.157 1.00 0.00 C ATOM 1316 O CYS A 33 2.957 6.596 26.710 1.00 0.00 O ATOM 1317 CB CYS A 33 5.657 4.329 26.699 1.00 0.00 C ATOM 1318 SG CYS A 33 4.297 3.173 27.001 1.00 0.00 S ATOM 0 H CYS A 33 4.858 5.193 28.946 1.00 0.00 H new ATOM 0 HA CYS A 33 5.982 6.431 26.546 1.00 0.00 H new ATOM 0 HB2 CYS A 33 6.023 4.210 25.679 1.00 0.00 H new ATOM 0 HB3 CYS A 33 6.489 4.102 27.365 1.00 0.00 H new ATOM 0 HG CYS A 33 4.710 2.207 27.767 1.00 0.00 H new ATOM 1323 N ASN A 34 3.837 5.743 24.894 1.00 0.00 N ATOM 1324 CA ASN A 34 2.597 6.040 24.117 1.00 0.00 C ATOM 1325 C ASN A 34 1.456 5.072 24.465 1.00 0.00 C ATOM 1326 O ASN A 34 0.324 5.483 24.627 1.00 0.00 O ATOM 1327 CB ASN A 34 2.902 5.965 22.618 1.00 0.00 C ATOM 1328 CG ASN A 34 3.264 4.535 22.213 1.00 0.00 C ATOM 1329 OD1 ASN A 34 3.003 4.128 21.099 1.00 0.00 O ATOM 1330 ND2 ASN A 34 3.871 3.753 23.064 1.00 0.00 N ATOM 0 H ASN A 34 4.586 5.293 24.367 1.00 0.00 H new ATOM 0 HA ASN A 34 2.269 7.045 24.382 1.00 0.00 H new ATOM 0 HB2 ASN A 34 2.036 6.302 22.048 1.00 0.00 H new ATOM 0 HB3 ASN A 34 3.725 6.637 22.375 1.00 0.00 H new ATOM 0 HD21 ASN A 34 4.125 2.803 22.792 1.00 0.00 H new ATOM 0 HD22 ASN A 34 4.092 4.092 24.000 1.00 0.00 H new ATOM 1337 N ALA A 35 1.719 3.796 24.553 1.00 0.00 N ATOM 1338 CA ALA A 35 0.621 2.828 24.856 1.00 0.00 C ATOM 1339 C ALA A 35 0.005 3.081 26.242 1.00 0.00 C ATOM 1340 O ALA A 35 -1.199 3.158 26.384 1.00 0.00 O ATOM 1341 CB ALA A 35 1.174 1.402 24.786 1.00 0.00 C ATOM 0 H ALA A 35 2.643 3.381 24.429 1.00 0.00 H new ATOM 0 HA ALA A 35 -0.167 2.963 24.116 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.377 0.692 25.006 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.564 1.212 23.786 1.00 0.00 H new ATOM 0 HB3 ALA A 35 1.975 1.286 25.516 1.00 0.00 H new ATOM 1347 N CYS A 36 0.808 3.185 27.268 1.00 0.00 N ATOM 1348 CA CYS A 36 0.251 3.402 28.639 1.00 0.00 C ATOM 1349 C CYS A 36 -0.684 4.614 28.651 1.00 0.00 C ATOM 1350 O CYS A 36 -1.696 4.623 29.324 1.00 0.00 O ATOM 1351 CB CYS A 36 1.399 3.665 29.615 1.00 0.00 C ATOM 1352 SG CYS A 36 2.283 2.123 29.952 1.00 0.00 S ATOM 0 H CYS A 36 1.825 3.129 27.218 1.00 0.00 H new ATOM 0 HA CYS A 36 -0.306 2.512 28.933 1.00 0.00 H new ATOM 0 HB2 CYS A 36 2.083 4.403 29.196 1.00 0.00 H new ATOM 0 HB3 CYS A 36 1.010 4.082 30.544 1.00 0.00 H new ATOM 0 HG CYS A 36 3.532 2.384 30.201 1.00 0.00 H new ATOM 1357 N GLY A 37 -0.344 5.643 27.930 1.00 0.00 N ATOM 1358 CA GLY A 37 -1.203 6.861 27.917 1.00 0.00 C ATOM 1359 C GLY A 37 -2.524 6.584 27.195 1.00 0.00 C ATOM 1360 O GLY A 37 -3.580 6.997 27.633 1.00 0.00 O ATOM 0 H GLY A 37 0.492 5.695 27.348 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.402 7.183 28.939 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.677 7.678 27.423 1.00 0.00 H new ATOM 1364 N LEU A 38 -2.470 5.914 26.079 1.00 0.00 N ATOM 1365 CA LEU A 38 -3.711 5.633 25.300 1.00 0.00 C ATOM 1366 C LEU A 38 -4.637 4.652 26.030 1.00 0.00 C ATOM 1367 O LEU A 38 -5.811 4.908 26.210 1.00 0.00 O ATOM 1368 CB LEU A 38 -3.296 5.007 23.967 1.00 0.00 C ATOM 1369 CG LEU A 38 -2.476 6.016 23.154 1.00 0.00 C ATOM 1370 CD1 LEU A 38 -1.847 5.307 21.947 1.00 0.00 C ATOM 1371 CD2 LEU A 38 -3.373 7.175 22.679 1.00 0.00 C ATOM 0 H LEU A 38 -1.612 5.545 25.668 1.00 0.00 H new ATOM 0 HA LEU A 38 -4.254 6.568 25.162 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.709 4.106 24.145 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.180 4.706 23.405 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.687 6.426 23.784 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.264 6.023 21.368 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -1.196 4.505 22.295 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.634 4.889 21.320 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.778 7.884 22.103 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -4.174 6.782 22.053 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.803 7.681 23.544 1.00 0.00 H new ATOM 1383 N PHE A 39 -4.125 3.514 26.409 1.00 0.00 N ATOM 1384 CA PHE A 39 -4.973 2.486 27.081 1.00 0.00 C ATOM 1385 C PHE A 39 -5.452 2.942 28.461 1.00 0.00 C ATOM 1386 O PHE A 39 -6.615 2.836 28.796 1.00 0.00 O ATOM 1387 CB PHE A 39 -4.147 1.213 27.266 1.00 0.00 C ATOM 1388 CG PHE A 39 -5.008 0.141 27.890 1.00 0.00 C ATOM 1389 CD1 PHE A 39 -5.212 0.119 29.276 1.00 0.00 C ATOM 1390 CD2 PHE A 39 -5.602 -0.830 27.080 1.00 0.00 C ATOM 1391 CE1 PHE A 39 -6.010 -0.878 29.850 1.00 0.00 C ATOM 1392 CE2 PHE A 39 -6.399 -1.828 27.654 1.00 0.00 C ATOM 1393 CZ PHE A 39 -6.603 -1.852 29.039 1.00 0.00 C ATOM 0 H PHE A 39 -3.148 3.249 26.282 1.00 0.00 H new ATOM 0 HA PHE A 39 -5.847 2.317 26.452 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -3.764 0.872 26.304 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -3.284 1.416 27.900 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -4.754 0.871 29.901 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -5.447 -0.811 26.011 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -6.168 -0.895 30.918 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -6.857 -2.580 27.028 1.00 0.00 H new ATOM 0 HZ PHE A 39 -7.218 -2.622 29.481 1.00 0.00 H new ATOM 1403 N LEU A 40 -4.548 3.392 29.283 1.00 0.00 N ATOM 1404 CA LEU A 40 -4.923 3.790 30.667 1.00 0.00 C ATOM 1405 C LEU A 40 -5.933 4.944 30.668 1.00 0.00 C ATOM 1406 O LEU A 40 -6.944 4.889 31.337 1.00 0.00 O ATOM 1407 CB LEU A 40 -3.650 4.218 31.400 1.00 0.00 C ATOM 1408 CG LEU A 40 -3.922 4.404 32.897 1.00 0.00 C ATOM 1409 CD1 LEU A 40 -4.241 3.052 33.561 1.00 0.00 C ATOM 1410 CD2 LEU A 40 -2.674 5.010 33.547 1.00 0.00 C ATOM 0 H LEU A 40 -3.560 3.502 29.055 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.394 2.943 31.166 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.873 3.467 31.257 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -3.276 5.149 30.975 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.779 5.064 33.029 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.431 3.204 34.623 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -5.124 2.616 33.093 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.394 2.377 33.437 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.850 5.149 34.614 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.827 4.339 33.404 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.455 5.974 33.087 1.00 0.00 H new ATOM 1422 N LYS A 41 -5.663 5.996 29.944 1.00 0.00 N ATOM 1423 CA LYS A 41 -6.604 7.154 29.932 1.00 0.00 C ATOM 1424 C LYS A 41 -7.955 6.731 29.341 1.00 0.00 C ATOM 1425 O LYS A 41 -9.001 7.106 29.833 1.00 0.00 O ATOM 1426 CB LYS A 41 -5.999 8.280 29.091 1.00 0.00 C ATOM 1427 CG LYS A 41 -6.817 9.561 29.273 1.00 0.00 C ATOM 1428 CD LYS A 41 -6.236 10.660 28.377 1.00 0.00 C ATOM 1429 CE LYS A 41 -7.064 11.939 28.516 1.00 0.00 C ATOM 1430 NZ LYS A 41 -7.023 12.418 29.927 1.00 0.00 N ATOM 0 H LYS A 41 -4.833 6.104 29.361 1.00 0.00 H new ATOM 0 HA LYS A 41 -6.764 7.502 30.953 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.965 8.453 29.389 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -5.985 7.993 28.039 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -7.861 9.380 29.017 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -6.795 9.876 30.316 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -5.200 10.856 28.653 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -6.233 10.330 27.338 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -6.675 12.709 27.850 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -8.095 11.750 28.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -7.314 13.416 29.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -7.671 11.847 30.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -6.055 12.326 30.297 1.00 0.00 H new ATOM 1444 N LEU A 42 -7.943 5.961 28.286 1.00 0.00 N ATOM 1445 CA LEU A 42 -9.229 5.526 27.664 1.00 0.00 C ATOM 1446 C LEU A 42 -9.946 4.535 28.584 1.00 0.00 C ATOM 1447 O LEU A 42 -11.154 4.555 28.713 1.00 0.00 O ATOM 1448 CB LEU A 42 -8.954 4.836 26.327 1.00 0.00 C ATOM 1449 CG LEU A 42 -8.471 5.857 25.290 1.00 0.00 C ATOM 1450 CD1 LEU A 42 -8.006 5.104 24.039 1.00 0.00 C ATOM 1451 CD2 LEU A 42 -9.600 6.838 24.926 1.00 0.00 C ATOM 0 H LEU A 42 -7.100 5.614 27.828 1.00 0.00 H new ATOM 0 HA LEU A 42 -9.853 6.406 27.508 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -8.202 4.058 26.459 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -9.860 4.346 25.970 1.00 0.00 H new ATOM 0 HG LEU A 42 -7.645 6.433 25.707 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -7.659 5.818 23.292 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -7.191 4.430 24.302 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -8.837 4.527 23.632 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -9.236 7.554 24.189 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -10.442 6.285 24.510 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -9.922 7.370 25.821 1.00 0.00 H new ATOM 1463 N HIS A 43 -9.215 3.647 29.199 1.00 0.00 N ATOM 1464 CA HIS A 43 -9.858 2.631 30.079 1.00 0.00 C ATOM 1465 C HIS A 43 -10.158 3.233 31.457 1.00 0.00 C ATOM 1466 O HIS A 43 -11.202 2.987 32.029 1.00 0.00 O ATOM 1467 CB HIS A 43 -8.905 1.440 30.220 1.00 0.00 C ATOM 1468 CG HIS A 43 -8.831 0.697 28.913 1.00 0.00 C ATOM 1469 ND1 HIS A 43 -8.102 1.165 27.832 1.00 0.00 N ATOM 1470 CD2 HIS A 43 -9.390 -0.490 28.501 1.00 0.00 C ATOM 1471 CE1 HIS A 43 -8.239 0.276 26.832 1.00 0.00 C ATOM 1472 NE2 HIS A 43 -9.013 -0.753 27.186 1.00 0.00 N ATOM 0 H HIS A 43 -8.199 3.581 29.130 1.00 0.00 H new ATOM 0 HA HIS A 43 -10.801 2.305 29.639 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -7.913 1.787 30.510 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -9.253 0.774 31.010 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -7.559 2.028 27.800 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -10.024 -1.122 29.105 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -7.779 0.382 25.861 1.00 0.00 H new ATOM 1480 N GLY A 44 -9.272 4.025 31.998 1.00 0.00 N ATOM 1481 CA GLY A 44 -9.539 4.642 33.331 1.00 0.00 C ATOM 1482 C GLY A 44 -9.462 3.597 34.450 1.00 0.00 C ATOM 1483 O GLY A 44 -9.883 3.850 35.562 1.00 0.00 O ATOM 0 H GLY A 44 -8.377 4.272 31.576 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -8.815 5.435 33.519 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -10.526 5.105 33.329 1.00 0.00 H new ATOM 1487 N VAL A 45 -8.944 2.428 34.175 1.00 0.00 N ATOM 1488 CA VAL A 45 -8.856 1.371 35.232 1.00 0.00 C ATOM 1489 C VAL A 45 -7.503 0.662 35.134 1.00 0.00 C ATOM 1490 O VAL A 45 -6.714 0.931 34.250 1.00 0.00 O ATOM 1491 CB VAL A 45 -9.982 0.352 35.035 1.00 0.00 C ATOM 1492 CG1 VAL A 45 -11.329 0.993 35.376 1.00 0.00 C ATOM 1493 CG2 VAL A 45 -10.004 -0.111 33.577 1.00 0.00 C ATOM 0 H VAL A 45 -8.577 2.157 33.263 1.00 0.00 H new ATOM 0 HA VAL A 45 -8.954 1.833 36.214 1.00 0.00 H new ATOM 0 HB VAL A 45 -9.808 -0.501 35.691 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -12.126 0.263 35.234 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -11.322 1.325 36.414 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -11.500 1.849 34.723 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -10.806 -0.836 33.438 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -10.173 0.746 32.925 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -9.049 -0.573 33.328 1.00 0.00 H new ATOM 1503 N VAL A 46 -7.226 -0.236 36.041 1.00 0.00 N ATOM 1504 CA VAL A 46 -5.923 -0.959 36.011 1.00 0.00 C ATOM 1505 C VAL A 46 -5.713 -1.609 34.642 1.00 0.00 C ATOM 1506 O VAL A 46 -6.655 -1.976 33.967 1.00 0.00 O ATOM 1507 CB VAL A 46 -5.910 -2.033 37.101 1.00 0.00 C ATOM 1508 CG1 VAL A 46 -5.938 -1.357 38.473 1.00 0.00 C ATOM 1509 CG2 VAL A 46 -7.139 -2.934 36.954 1.00 0.00 C ATOM 0 H VAL A 46 -7.849 -0.500 36.804 1.00 0.00 H new ATOM 0 HA VAL A 46 -5.116 -0.248 36.191 1.00 0.00 H new ATOM 0 HB VAL A 46 -5.008 -2.637 37.005 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -5.929 -2.118 39.254 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.063 -0.716 38.581 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -6.842 -0.755 38.564 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -7.126 -3.697 37.732 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -8.044 -2.334 37.050 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -7.124 -3.413 35.975 1.00 0.00 H new ATOM 1519 N ARG A 47 -4.478 -1.740 34.227 1.00 0.00 N ATOM 1520 CA ARG A 47 -4.166 -2.352 32.898 1.00 0.00 C ATOM 1521 C ARG A 47 -3.309 -3.612 33.100 1.00 0.00 C ATOM 1522 O ARG A 47 -2.289 -3.547 33.759 1.00 0.00 O ATOM 1523 CB ARG A 47 -3.353 -1.343 32.074 1.00 0.00 C ATOM 1524 CG ARG A 47 -2.891 -1.988 30.759 1.00 0.00 C ATOM 1525 CD ARG A 47 -2.181 -0.953 29.876 1.00 0.00 C ATOM 1526 NE ARG A 47 -2.356 -1.346 28.445 1.00 0.00 N ATOM 1527 CZ ARG A 47 -2.036 -2.544 28.038 1.00 0.00 C ATOM 1528 NH1 ARG A 47 -1.346 -3.339 28.807 1.00 0.00 N ATOM 1529 NH2 ARG A 47 -2.359 -2.928 26.835 1.00 0.00 N ATOM 0 H ARG A 47 -3.660 -1.444 34.761 1.00 0.00 H new ATOM 0 HA ARG A 47 -5.093 -2.612 32.388 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -3.959 -0.462 31.863 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -2.489 -1.006 32.647 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -2.217 -2.818 30.971 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -3.749 -2.401 30.228 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -2.596 0.040 30.049 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -1.122 -0.904 30.128 1.00 0.00 H new ATOM 0 HE ARG A 47 -2.730 -0.670 27.779 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -1.053 -3.026 29.733 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -1.099 -4.274 28.483 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -2.861 -2.293 26.214 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -2.110 -3.864 26.514 1.00 0.00 H new ATOM 1543 N PRO A 48 -3.662 -4.745 32.531 1.00 0.00 N ATOM 1544 CA PRO A 48 -2.821 -5.964 32.680 1.00 0.00 C ATOM 1545 C PRO A 48 -1.486 -5.757 31.962 1.00 0.00 C ATOM 1546 O PRO A 48 -1.342 -6.040 30.790 1.00 0.00 O ATOM 1547 CB PRO A 48 -3.644 -7.086 32.032 1.00 0.00 C ATOM 1548 CG PRO A 48 -4.590 -6.394 31.105 1.00 0.00 C ATOM 1549 CD PRO A 48 -4.855 -5.008 31.702 1.00 0.00 C ATOM 0 HA PRO A 48 -2.582 -6.198 33.717 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -3.003 -7.783 31.492 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -4.182 -7.664 32.784 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -4.161 -6.310 30.106 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -5.518 -6.957 31.007 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -4.975 -4.254 30.924 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -5.767 -4.998 32.299 1.00 0.00 H new ATOM 1557 N LEU A 49 -0.515 -5.256 32.668 1.00 0.00 N ATOM 1558 CA LEU A 49 0.813 -5.015 32.041 1.00 0.00 C ATOM 1559 C LEU A 49 1.336 -6.343 31.487 1.00 0.00 C ATOM 1560 O LEU A 49 2.343 -6.396 30.809 1.00 0.00 O ATOM 1561 CB LEU A 49 1.773 -4.445 33.086 1.00 0.00 C ATOM 1562 CG LEU A 49 1.160 -3.182 33.709 1.00 0.00 C ATOM 1563 CD1 LEU A 49 2.116 -2.623 34.768 1.00 0.00 C ATOM 1564 CD2 LEU A 49 0.908 -2.118 32.624 1.00 0.00 C ATOM 0 H LEU A 49 -0.582 -5.002 33.654 1.00 0.00 H new ATOM 0 HA LEU A 49 0.729 -4.295 31.227 1.00 0.00 H new ATOM 0 HB2 LEU A 49 1.968 -5.187 33.860 1.00 0.00 H new ATOM 0 HB3 LEU A 49 2.731 -4.207 32.624 1.00 0.00 H new ATOM 0 HG LEU A 49 0.208 -3.440 34.173 1.00 0.00 H new ATOM 0 HD11 LEU A 49 1.683 -1.726 35.212 1.00 0.00 H new ATOM 0 HD12 LEU A 49 2.276 -3.371 35.544 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.069 -2.373 34.302 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.473 -1.229 33.080 1.00 0.00 H new ATOM 0 HD22 LEU A 49 1.852 -1.856 32.145 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.220 -2.515 31.877 1.00 0.00 H new ATOM 1576 N SER A 50 0.645 -7.414 31.774 1.00 0.00 N ATOM 1577 CA SER A 50 1.077 -8.749 31.271 1.00 0.00 C ATOM 1578 C SER A 50 1.087 -8.741 29.740 1.00 0.00 C ATOM 1579 O SER A 50 1.662 -9.607 29.110 1.00 0.00 O ATOM 1580 CB SER A 50 0.106 -9.823 31.766 1.00 0.00 C ATOM 1581 OG SER A 50 0.519 -11.091 31.273 1.00 0.00 O ATOM 0 H SER A 50 -0.205 -7.421 32.338 1.00 0.00 H new ATOM 0 HA SER A 50 2.079 -8.966 31.641 1.00 0.00 H new ATOM 0 HB2 SER A 50 0.082 -9.834 32.856 1.00 0.00 H new ATOM 0 HB3 SER A 50 -0.906 -9.600 31.427 1.00 0.00 H new ATOM 0 HG SER A 50 1.047 -10.968 30.456 1.00 0.00 H new ATOM 1587 N LEU A 51 0.463 -7.767 29.134 1.00 0.00 N ATOM 1588 CA LEU A 51 0.451 -7.705 27.644 1.00 0.00 C ATOM 1589 C LEU A 51 1.793 -7.143 27.178 1.00 0.00 C ATOM 1590 O LEU A 51 2.261 -7.435 26.096 1.00 0.00 O ATOM 1591 CB LEU A 51 -0.661 -6.768 27.177 1.00 0.00 C ATOM 1592 CG LEU A 51 -2.022 -7.275 27.668 1.00 0.00 C ATOM 1593 CD1 LEU A 51 -3.022 -6.124 27.604 1.00 0.00 C ATOM 1594 CD2 LEU A 51 -2.522 -8.424 26.785 1.00 0.00 C ATOM 0 H LEU A 51 -0.038 -7.013 29.605 1.00 0.00 H new ATOM 0 HA LEU A 51 0.283 -8.700 27.233 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.481 -5.762 27.556 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.660 -6.704 26.089 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.920 -7.640 28.690 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -3.996 -6.469 27.950 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.679 -5.308 28.240 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.106 -5.772 26.576 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.489 -8.769 27.150 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.626 -8.075 25.758 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.807 -9.246 26.818 1.00 0.00 H new ATOM 1606 N LYS A 52 2.392 -6.324 28.001 1.00 0.00 N ATOM 1607 CA LYS A 52 3.711 -5.688 27.676 1.00 0.00 C ATOM 1608 C LYS A 52 4.576 -6.587 26.788 1.00 0.00 C ATOM 1609 O LYS A 52 4.711 -7.774 27.010 1.00 0.00 O ATOM 1610 CB LYS A 52 4.443 -5.415 29.000 1.00 0.00 C ATOM 1611 CG LYS A 52 5.915 -5.019 28.787 1.00 0.00 C ATOM 1612 CD LYS A 52 6.023 -3.738 27.956 1.00 0.00 C ATOM 1613 CE LYS A 52 7.478 -3.261 27.950 1.00 0.00 C ATOM 1614 NZ LYS A 52 8.391 -4.436 27.873 1.00 0.00 N ATOM 0 H LYS A 52 2.014 -6.060 28.911 1.00 0.00 H new ATOM 0 HA LYS A 52 3.532 -4.765 27.125 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.930 -4.618 29.538 1.00 0.00 H new ATOM 0 HB3 LYS A 52 4.396 -6.305 29.628 1.00 0.00 H new ATOM 0 HG2 LYS A 52 6.399 -4.873 29.752 1.00 0.00 H new ATOM 0 HG3 LYS A 52 6.444 -5.829 28.284 1.00 0.00 H new ATOM 0 HD2 LYS A 52 5.684 -3.922 26.936 1.00 0.00 H new ATOM 0 HD3 LYS A 52 5.376 -2.965 28.372 1.00 0.00 H new ATOM 0 HE2 LYS A 52 7.650 -2.598 27.102 1.00 0.00 H new ATOM 0 HE3 LYS A 52 7.686 -2.685 28.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 9.314 -4.134 27.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 8.516 -4.842 28.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 7.981 -5.153 27.241 1.00 0.00 H new ATOM 1628 N THR A 53 5.199 -5.991 25.809 1.00 0.00 N ATOM 1629 CA THR A 53 6.114 -6.735 24.898 1.00 0.00 C ATOM 1630 C THR A 53 7.243 -5.792 24.486 1.00 0.00 C ATOM 1631 O THR A 53 7.135 -4.589 24.620 1.00 0.00 O ATOM 1632 CB THR A 53 5.363 -7.223 23.658 1.00 0.00 C ATOM 1633 OG1 THR A 53 6.299 -7.539 22.638 1.00 0.00 O ATOM 1634 CG2 THR A 53 4.407 -6.136 23.164 1.00 0.00 C ATOM 0 H THR A 53 5.110 -4.997 25.598 1.00 0.00 H new ATOM 0 HA THR A 53 6.515 -7.609 25.412 1.00 0.00 H new ATOM 0 HB THR A 53 4.785 -8.112 23.912 1.00 0.00 H new ATOM 0 HG1 THR A 53 5.822 -7.854 21.842 1.00 0.00 H new ATOM 0 HG21 THR A 53 3.876 -6.492 22.281 1.00 0.00 H new ATOM 0 HG22 THR A 53 3.688 -5.900 23.949 1.00 0.00 H new ATOM 0 HG23 THR A 53 4.974 -5.241 22.910 1.00 0.00 H new ATOM 1642 N ASP A 54 8.332 -6.320 24.005 1.00 0.00 N ATOM 1643 CA ASP A 54 9.482 -5.450 23.606 1.00 0.00 C ATOM 1644 C ASP A 54 9.451 -5.222 22.095 1.00 0.00 C ATOM 1645 O ASP A 54 10.335 -4.606 21.534 1.00 0.00 O ATOM 1646 CB ASP A 54 10.785 -6.153 23.992 1.00 0.00 C ATOM 1647 CG ASP A 54 10.835 -6.324 25.512 1.00 0.00 C ATOM 1648 OD1 ASP A 54 10.301 -5.472 26.203 1.00 0.00 O ATOM 1649 OD2 ASP A 54 11.400 -7.310 25.959 1.00 0.00 O ATOM 0 H ASP A 54 8.480 -7.320 23.869 1.00 0.00 H new ATOM 0 HA ASP A 54 9.414 -4.487 24.113 1.00 0.00 H new ATOM 0 HB2 ASP A 54 10.846 -7.125 23.503 1.00 0.00 H new ATOM 0 HB3 ASP A 54 11.641 -5.570 23.651 1.00 0.00 H new ATOM 1654 N VAL A 55 8.432 -5.712 21.436 1.00 0.00 N ATOM 1655 CA VAL A 55 8.311 -5.533 19.956 1.00 0.00 C ATOM 1656 C VAL A 55 7.110 -4.635 19.648 1.00 0.00 C ATOM 1657 O VAL A 55 6.026 -4.837 20.156 1.00 0.00 O ATOM 1658 CB VAL A 55 8.104 -6.899 19.293 1.00 0.00 C ATOM 1659 CG1 VAL A 55 7.961 -6.725 17.776 1.00 0.00 C ATOM 1660 CG2 VAL A 55 9.306 -7.799 19.598 1.00 0.00 C ATOM 0 H VAL A 55 7.669 -6.235 21.865 1.00 0.00 H new ATOM 0 HA VAL A 55 9.221 -5.073 19.570 1.00 0.00 H new ATOM 0 HB VAL A 55 7.196 -7.358 19.686 1.00 0.00 H new ATOM 0 HG11 VAL A 55 7.814 -7.699 17.310 1.00 0.00 H new ATOM 0 HG12 VAL A 55 7.103 -6.088 17.562 1.00 0.00 H new ATOM 0 HG13 VAL A 55 8.864 -6.264 17.376 1.00 0.00 H new ATOM 0 HG21 VAL A 55 9.161 -8.771 19.127 1.00 0.00 H new ATOM 0 HG22 VAL A 55 10.214 -7.339 19.208 1.00 0.00 H new ATOM 0 HG23 VAL A 55 9.400 -7.928 20.676 1.00 0.00 H new ATOM 1670 N ILE A 56 7.303 -3.647 18.813 1.00 0.00 N ATOM 1671 CA ILE A 56 6.192 -2.718 18.442 1.00 0.00 C ATOM 1672 C ILE A 56 5.770 -2.992 16.998 1.00 0.00 C ATOM 1673 O ILE A 56 6.595 -3.166 16.124 1.00 0.00 O ATOM 1674 CB ILE A 56 6.674 -1.272 18.573 1.00 0.00 C ATOM 1675 CG1 ILE A 56 7.097 -1.018 20.021 1.00 0.00 C ATOM 1676 CG2 ILE A 56 5.535 -0.323 18.198 1.00 0.00 C ATOM 1677 CD1 ILE A 56 7.832 0.320 20.119 1.00 0.00 C ATOM 0 H ILE A 56 8.196 -3.441 18.366 1.00 0.00 H new ATOM 0 HA ILE A 56 5.342 -2.875 19.106 1.00 0.00 H new ATOM 0 HB ILE A 56 7.520 -1.101 17.908 1.00 0.00 H new ATOM 0 HG12 ILE A 56 6.221 -1.010 20.669 1.00 0.00 H new ATOM 0 HG13 ILE A 56 7.743 -1.825 20.368 1.00 0.00 H new ATOM 0 HG21 ILE A 56 5.875 0.708 18.290 1.00 0.00 H new ATOM 0 HG22 ILE A 56 5.227 -0.513 17.170 1.00 0.00 H new ATOM 0 HG23 ILE A 56 4.690 -0.487 18.866 1.00 0.00 H new ATOM 0 HD11 ILE A 56 8.131 0.496 21.152 1.00 0.00 H new ATOM 0 HD12 ILE A 56 8.718 0.296 19.484 1.00 0.00 H new ATOM 0 HD13 ILE A 56 7.172 1.123 19.791 1.00 0.00 H new ATOM 1689 N LYS A 57 4.492 -3.052 16.744 1.00 0.00 N ATOM 1690 CA LYS A 57 4.019 -3.337 15.360 1.00 0.00 C ATOM 1691 C LYS A 57 4.077 -2.059 14.521 1.00 0.00 C ATOM 1692 O LYS A 57 3.481 -1.053 14.854 1.00 0.00 O ATOM 1693 CB LYS A 57 2.575 -3.850 15.429 1.00 0.00 C ATOM 1694 CG LYS A 57 2.119 -4.370 14.056 1.00 0.00 C ATOM 1695 CD LYS A 57 2.547 -5.835 13.860 1.00 0.00 C ATOM 1696 CE LYS A 57 1.530 -6.786 14.503 1.00 0.00 C ATOM 1697 NZ LYS A 57 1.834 -8.183 14.082 1.00 0.00 N ATOM 0 H LYS A 57 3.754 -2.916 17.435 1.00 0.00 H new ATOM 0 HA LYS A 57 4.657 -4.090 14.897 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.502 -4.647 16.169 1.00 0.00 H new ATOM 0 HB3 LYS A 57 1.914 -3.048 15.758 1.00 0.00 H new ATOM 0 HG2 LYS A 57 1.035 -4.288 13.972 1.00 0.00 H new ATOM 0 HG3 LYS A 57 2.547 -3.752 13.267 1.00 0.00 H new ATOM 0 HD2 LYS A 57 2.636 -6.054 12.796 1.00 0.00 H new ATOM 0 HD3 LYS A 57 3.531 -5.994 14.301 1.00 0.00 H new ATOM 0 HE2 LYS A 57 1.572 -6.703 15.589 1.00 0.00 H new ATOM 0 HE3 LYS A 57 0.518 -6.514 14.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 1.147 -8.833 14.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 1.773 -8.254 13.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 2.794 -8.437 14.391 1.00 0.00 H new ATOM 1711 N LYS A 58 4.802 -2.095 13.433 1.00 0.00 N ATOM 1712 CA LYS A 58 4.916 -0.890 12.561 1.00 0.00 C ATOM 1713 C LYS A 58 3.755 -0.862 11.567 1.00 0.00 C ATOM 1714 O LYS A 58 3.541 -1.800 10.825 1.00 0.00 O ATOM 1715 CB LYS A 58 6.235 -0.944 11.780 1.00 0.00 C ATOM 1716 CG LYS A 58 7.438 -0.803 12.732 1.00 0.00 C ATOM 1717 CD LYS A 58 7.895 -2.180 13.227 1.00 0.00 C ATOM 1718 CE LYS A 58 9.183 -2.026 14.038 1.00 0.00 C ATOM 1719 NZ LYS A 58 9.499 -3.312 14.720 1.00 0.00 N ATOM 0 H LYS A 58 5.322 -2.911 13.110 1.00 0.00 H new ATOM 0 HA LYS A 58 4.890 0.004 13.184 1.00 0.00 H new ATOM 0 HB2 LYS A 58 6.303 -1.887 11.237 1.00 0.00 H new ATOM 0 HB3 LYS A 58 6.257 -0.146 11.038 1.00 0.00 H new ATOM 0 HG2 LYS A 58 8.259 -0.304 12.218 1.00 0.00 H new ATOM 0 HG3 LYS A 58 7.166 -0.177 13.581 1.00 0.00 H new ATOM 0 HD2 LYS A 58 7.118 -2.634 13.841 1.00 0.00 H new ATOM 0 HD3 LYS A 58 8.062 -2.846 12.380 1.00 0.00 H new ATOM 0 HE2 LYS A 58 10.005 -1.738 13.383 1.00 0.00 H new ATOM 0 HE3 LYS A 58 9.069 -1.230 14.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 10.336 -3.188 15.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 8.690 -3.603 15.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 9.692 -4.045 14.007 1.00 0.00 H new ATOM 1733 N ARG A 59 3.002 0.205 11.547 1.00 0.00 N ATOM 1734 CA ARG A 59 1.849 0.298 10.605 1.00 0.00 C ATOM 1735 C ARG A 59 2.265 1.105 9.377 1.00 0.00 C ATOM 1736 O ARG A 59 3.387 1.558 9.270 1.00 0.00 O ATOM 1737 CB ARG A 59 0.680 0.995 11.300 1.00 0.00 C ATOM 1738 CG ARG A 59 0.132 0.074 12.391 1.00 0.00 C ATOM 1739 CD ARG A 59 -1.123 0.694 13.003 1.00 0.00 C ATOM 1740 NE ARG A 59 -2.155 0.871 11.946 1.00 0.00 N ATOM 1741 CZ ARG A 59 -3.404 1.027 12.283 1.00 0.00 C ATOM 1742 NH1 ARG A 59 -3.740 1.032 13.543 1.00 0.00 N ATOM 1743 NH2 ARG A 59 -4.318 1.173 11.362 1.00 0.00 N ATOM 0 H ARG A 59 3.137 1.020 12.145 1.00 0.00 H new ATOM 0 HA ARG A 59 1.545 -0.703 10.299 1.00 0.00 H new ATOM 0 HB2 ARG A 59 1.008 1.940 11.734 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -0.102 1.231 10.578 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -0.101 -0.905 11.971 1.00 0.00 H new ATOM 0 HG3 ARG A 59 0.886 -0.081 13.162 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -1.507 0.054 13.798 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -0.883 1.656 13.456 1.00 0.00 H new ATOM 0 HE ARG A 59 -1.886 0.870 10.962 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -3.026 0.914 14.262 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -4.717 1.154 13.810 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -4.055 1.165 10.377 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -5.295 1.295 11.628 1.00 0.00 H new ATOM 1757 N ASN A 60 1.380 1.264 8.434 1.00 0.00 N ATOM 1758 CA ASN A 60 1.737 2.015 7.199 1.00 0.00 C ATOM 1759 C ASN A 60 1.742 3.514 7.486 1.00 0.00 C ATOM 1760 O ASN A 60 1.769 3.945 8.621 1.00 0.00 O ATOM 1761 CB ASN A 60 0.713 1.710 6.102 1.00 0.00 C ATOM 1762 CG ASN A 60 0.884 0.265 5.631 1.00 0.00 C ATOM 1763 OD1 ASN A 60 -0.051 -0.510 5.659 1.00 0.00 O ATOM 1764 ND2 ASN A 60 2.048 -0.133 5.194 1.00 0.00 N ATOM 0 H ASN A 60 0.425 0.907 8.465 1.00 0.00 H new ATOM 0 HA ASN A 60 2.730 1.709 6.869 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -0.298 1.863 6.481 1.00 0.00 H new ATOM 0 HB3 ASN A 60 0.847 2.395 5.265 1.00 0.00 H new ATOM 0 HD21 ASN A 60 2.172 -1.094 4.876 1.00 0.00 H new ATOM 0 HD22 ASN A 60 2.833 0.517 5.170 1.00 0.00 H new