USER MOD reduce.3.24.130724 H: found=0, std=0, add=411, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 407 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 12 CYS SG : rot 157:sc= 1.84 USER MOD Set 1.2: A 15 CYS SG : rot -60:sc= 0.375 USER MOD Set 1.3: A 17 THR OG1 : rot 98:sc= 0.0651 USER MOD Set 1.4: A 33 CYS SG : rot -134:sc= 1.06 USER MOD Set 1.5: A 34 ASN : amide:sc= -2.89! C(o=0.34!,f=-8.8!) USER MOD Set 1.6: A 36 CYS SG : rot 146:sc= -0.111 USER MOD Single : A 11 THR OG1 : rot 26:sc= 0.152 USER MOD Single : A 13 THR OG1 : rot -78:sc= 0.00419 USER MOD Single : A 14 ASN : amide:sc= -4.49! C(o=-4.5!,f=-4.6!) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=-0.0069) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot -128:sc= 0.78 USER MOD Single : A 26 ASN :FLIP amide:sc= -1.8 F(o=-11!,f=-1.8) USER MOD Single : A 30 GLN : amide:sc= -0.0283 K(o=-0.028,f=-0.78) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HE2:sc= -11.5! C(o=-11!,f=-21!) 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 -141:sc= -0.0512 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 K(o=0,f=-0.77) USER MOD ----------------------------------------------------------------- ATOM 970 N THR A 11 11.853 7.379 30.675 1.00 0.00 N ATOM 971 CA THR A 11 11.461 5.950 30.881 1.00 0.00 C ATOM 972 C THR A 11 9.974 5.886 31.229 1.00 0.00 C ATOM 973 O THR A 11 9.456 6.729 31.933 1.00 0.00 O ATOM 974 CB THR A 11 12.264 5.358 32.043 1.00 0.00 C ATOM 975 OG1 THR A 11 13.652 5.517 31.791 1.00 0.00 O ATOM 976 CG2 THR A 11 11.937 3.869 32.196 1.00 0.00 C ATOM 0 HA THR A 11 11.661 5.385 29.971 1.00 0.00 H new ATOM 0 HB THR A 11 12.000 5.879 32.963 1.00 0.00 H new ATOM 0 HG1 THR A 11 13.791 6.286 31.199 1.00 0.00 H new ATOM 0 HG21 THR A 11 12.511 3.454 33.024 1.00 0.00 H new ATOM 0 HG22 THR A 11 10.872 3.749 32.396 1.00 0.00 H new ATOM 0 HG23 THR A 11 12.194 3.344 31.276 1.00 0.00 H new ATOM 984 N CYS A 12 9.276 4.895 30.741 1.00 0.00 N ATOM 985 CA CYS A 12 7.823 4.796 31.053 1.00 0.00 C ATOM 986 C CYS A 12 7.631 4.273 32.476 1.00 0.00 C ATOM 987 O CYS A 12 7.888 3.122 32.770 1.00 0.00 O ATOM 988 CB CYS A 12 7.136 3.851 30.072 1.00 0.00 C ATOM 989 SG CYS A 12 5.356 4.168 30.129 1.00 0.00 S ATOM 0 H CYS A 12 9.647 4.156 30.144 1.00 0.00 H new ATOM 0 HA CYS A 12 7.380 5.788 30.966 1.00 0.00 H new ATOM 0 HB2 CYS A 12 7.517 4.008 29.063 1.00 0.00 H new ATOM 0 HB3 CYS A 12 7.345 2.814 30.334 1.00 0.00 H new ATOM 0 HG CYS A 12 4.807 3.762 29.023 1.00 0.00 H new ATOM 994 N THR A 13 7.169 5.115 33.358 1.00 0.00 N ATOM 995 CA THR A 13 6.955 4.686 34.767 1.00 0.00 C ATOM 996 C THR A 13 5.862 3.618 34.842 1.00 0.00 C ATOM 997 O THR A 13 5.687 2.985 35.864 1.00 0.00 O ATOM 998 CB THR A 13 6.525 5.888 35.611 1.00 0.00 C ATOM 999 OG1 THR A 13 5.321 6.424 35.082 1.00 0.00 O ATOM 1000 CG2 THR A 13 7.617 6.958 35.590 1.00 0.00 C ATOM 0 H THR A 13 6.929 6.087 33.162 1.00 0.00 H new ATOM 0 HA THR A 13 7.890 4.274 35.147 1.00 0.00 H new ATOM 0 HB THR A 13 6.363 5.568 36.640 1.00 0.00 H new ATOM 0 HG1 THR A 13 5.524 6.963 34.289 1.00 0.00 H new ATOM 0 HG21 THR A 13 7.303 7.810 36.193 1.00 0.00 H new ATOM 0 HG22 THR A 13 8.539 6.545 35.998 1.00 0.00 H new ATOM 0 HG23 THR A 13 7.788 7.283 34.564 1.00 0.00 H new ATOM 1008 N ASN A 14 5.112 3.414 33.787 1.00 0.00 N ATOM 1009 CA ASN A 14 4.023 2.392 33.833 1.00 0.00 C ATOM 1010 C ASN A 14 4.489 1.069 33.215 1.00 0.00 C ATOM 1011 O ASN A 14 4.049 0.015 33.629 1.00 0.00 O ATOM 1012 CB ASN A 14 2.809 2.906 33.052 1.00 0.00 C ATOM 1013 CG ASN A 14 2.087 3.994 33.853 1.00 0.00 C ATOM 1014 OD1 ASN A 14 1.128 4.573 33.380 1.00 0.00 O ATOM 1015 ND2 ASN A 14 2.503 4.300 35.052 1.00 0.00 N ATOM 0 H ASN A 14 5.207 3.909 32.900 1.00 0.00 H new ATOM 0 HA ASN A 14 3.757 2.219 34.876 1.00 0.00 H new ATOM 0 HB2 ASN A 14 3.129 3.305 32.089 1.00 0.00 H new ATOM 0 HB3 ASN A 14 2.125 2.083 32.845 1.00 0.00 H new ATOM 0 HD21 ASN A 14 2.024 5.023 35.589 1.00 0.00 H new ATOM 0 HD22 ASN A 14 3.307 3.816 35.452 1.00 0.00 H new ATOM 1022 N CYS A 15 5.344 1.094 32.215 1.00 0.00 N ATOM 1023 CA CYS A 15 5.779 -0.193 31.580 1.00 0.00 C ATOM 1024 C CYS A 15 7.283 -0.194 31.277 1.00 0.00 C ATOM 1025 O CYS A 15 7.777 -1.080 30.612 1.00 0.00 O ATOM 1026 CB CYS A 15 4.979 -0.421 30.289 1.00 0.00 C ATOM 1027 SG CYS A 15 5.597 0.636 28.955 1.00 0.00 S ATOM 0 H CYS A 15 5.754 1.939 31.816 1.00 0.00 H new ATOM 0 HA CYS A 15 5.585 -1.004 32.283 1.00 0.00 H new ATOM 0 HB2 CYS A 15 5.049 -1.467 29.992 1.00 0.00 H new ATOM 0 HB3 CYS A 15 3.924 -0.210 30.467 1.00 0.00 H new ATOM 0 HG CYS A 15 5.490 1.883 29.305 1.00 0.00 H new ATOM 1032 N PHE A 16 8.020 0.764 31.774 1.00 0.00 N ATOM 1033 CA PHE A 16 9.497 0.793 31.539 1.00 0.00 C ATOM 1034 C PHE A 16 9.839 0.816 30.047 1.00 0.00 C ATOM 1035 O PHE A 16 10.997 0.807 29.683 1.00 0.00 O ATOM 1036 CB PHE A 16 10.160 -0.425 32.192 1.00 0.00 C ATOM 1037 CG PHE A 16 9.920 -0.391 33.681 1.00 0.00 C ATOM 1038 CD1 PHE A 16 10.791 0.319 34.514 1.00 0.00 C ATOM 1039 CD2 PHE A 16 8.822 -1.065 34.228 1.00 0.00 C ATOM 1040 CE1 PHE A 16 10.568 0.354 35.895 1.00 0.00 C ATOM 1041 CE2 PHE A 16 8.598 -1.030 35.609 1.00 0.00 C ATOM 1042 CZ PHE A 16 9.471 -0.320 36.443 1.00 0.00 C ATOM 0 H PHE A 16 7.661 1.535 32.337 1.00 0.00 H new ATOM 0 HA PHE A 16 9.878 1.710 31.988 1.00 0.00 H new ATOM 0 HB2 PHE A 16 9.754 -1.344 31.768 1.00 0.00 H new ATOM 0 HB3 PHE A 16 11.230 -0.424 31.985 1.00 0.00 H new ATOM 0 HD1 PHE A 16 11.637 0.841 34.091 1.00 0.00 H new ATOM 0 HD2 PHE A 16 8.148 -1.612 33.585 1.00 0.00 H new ATOM 0 HE1 PHE A 16 11.242 0.901 36.538 1.00 0.00 H new ATOM 0 HE2 PHE A 16 7.752 -1.551 36.032 1.00 0.00 H new ATOM 0 HZ PHE A 16 9.298 -0.293 37.509 1.00 0.00 H new ATOM 1052 N THR A 17 8.872 0.840 29.172 1.00 0.00 N ATOM 1053 CA THR A 17 9.221 0.854 27.723 1.00 0.00 C ATOM 1054 C THR A 17 10.110 2.066 27.447 1.00 0.00 C ATOM 1055 O THR A 17 9.783 3.181 27.798 1.00 0.00 O ATOM 1056 CB THR A 17 7.945 0.959 26.880 1.00 0.00 C ATOM 1057 OG1 THR A 17 7.223 -0.261 26.963 1.00 0.00 O ATOM 1058 CG2 THR A 17 8.305 1.248 25.419 1.00 0.00 C ATOM 0 H THR A 17 7.876 0.850 29.390 1.00 0.00 H new ATOM 0 HA THR A 17 9.744 -0.066 27.462 1.00 0.00 H new ATOM 0 HB THR A 17 7.329 1.774 27.260 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.514 -0.177 27.635 1.00 0.00 H new ATOM 0 HG21 THR A 17 7.393 1.321 24.827 1.00 0.00 H new ATOM 0 HG22 THR A 17 8.853 2.188 25.358 1.00 0.00 H new ATOM 0 HG23 THR A 17 8.926 0.441 25.031 1.00 0.00 H new ATOM 1066 N GLN A 18 11.235 1.844 26.821 1.00 0.00 N ATOM 1067 CA GLN A 18 12.173 2.962 26.507 1.00 0.00 C ATOM 1068 C GLN A 18 12.067 3.311 25.022 1.00 0.00 C ATOM 1069 O GLN A 18 12.683 4.246 24.550 1.00 0.00 O ATOM 1070 CB GLN A 18 13.602 2.520 26.834 1.00 0.00 C ATOM 1071 CG GLN A 18 13.925 1.222 26.090 1.00 0.00 C ATOM 1072 CD GLN A 18 15.311 0.731 26.511 1.00 0.00 C ATOM 1073 OE1 GLN A 18 16.282 1.453 26.403 1.00 0.00 O ATOM 1074 NE2 GLN A 18 15.445 -0.472 26.998 1.00 0.00 N ATOM 0 H GLN A 18 11.548 0.924 26.510 1.00 0.00 H new ATOM 0 HA GLN A 18 11.917 3.840 27.100 1.00 0.00 H new ATOM 0 HB2 GLN A 18 14.308 3.299 26.548 1.00 0.00 H new ATOM 0 HB3 GLN A 18 13.710 2.371 27.908 1.00 0.00 H new ATOM 0 HG2 GLN A 18 13.174 0.464 26.314 1.00 0.00 H new ATOM 0 HG3 GLN A 18 13.897 1.390 25.013 1.00 0.00 H new ATOM 0 HE21 GLN A 18 14.630 -1.079 27.089 1.00 0.00 H new ATOM 0 HE22 GLN A 18 16.364 -0.805 27.288 1.00 0.00 H new ATOM 1083 N THR A 19 11.283 2.564 24.287 1.00 0.00 N ATOM 1084 CA THR A 19 11.115 2.831 22.825 1.00 0.00 C ATOM 1085 C THR A 19 9.668 3.257 22.560 1.00 0.00 C ATOM 1086 O THR A 19 8.734 2.580 22.941 1.00 0.00 O ATOM 1087 CB THR A 19 11.431 1.551 22.047 1.00 0.00 C ATOM 1088 OG1 THR A 19 12.712 1.076 22.437 1.00 0.00 O ATOM 1089 CG2 THR A 19 11.439 1.851 20.547 1.00 0.00 C ATOM 0 H THR A 19 10.746 1.772 24.641 1.00 0.00 H new ATOM 0 HA THR A 19 11.790 3.625 22.506 1.00 0.00 H new ATOM 0 HB THR A 19 10.674 0.797 22.261 1.00 0.00 H new ATOM 0 HG1 THR A 19 12.921 0.255 21.944 1.00 0.00 H new ATOM 0 HG21 THR A 19 11.664 0.939 19.995 1.00 0.00 H new ATOM 0 HG22 THR A 19 10.461 2.226 20.246 1.00 0.00 H new ATOM 0 HG23 THR A 19 12.198 2.603 20.330 1.00 0.00 H new ATOM 1097 N THR A 20 9.473 4.382 21.926 1.00 0.00 N ATOM 1098 CA THR A 20 8.082 4.849 21.662 1.00 0.00 C ATOM 1099 C THR A 20 8.089 5.934 20.576 1.00 0.00 C ATOM 1100 O THR A 20 9.022 6.705 20.479 1.00 0.00 O ATOM 1101 CB THR A 20 7.515 5.446 22.953 1.00 0.00 C ATOM 1102 OG1 THR A 20 6.318 6.155 22.665 1.00 0.00 O ATOM 1103 CG2 THR A 20 8.539 6.405 23.567 1.00 0.00 C ATOM 0 H THR A 20 10.212 4.995 21.581 1.00 0.00 H new ATOM 0 HA THR A 20 7.474 4.009 21.327 1.00 0.00 H new ATOM 0 HB THR A 20 7.300 4.643 23.658 1.00 0.00 H new ATOM 0 HG1 THR A 20 6.375 7.059 23.038 1.00 0.00 H new ATOM 0 HG21 THR A 20 8.135 6.830 24.486 1.00 0.00 H new ATOM 0 HG22 THR A 20 9.457 5.862 23.791 1.00 0.00 H new ATOM 0 HG23 THR A 20 8.755 7.207 22.861 1.00 0.00 H new ATOM 1111 N PRO A 21 7.050 6.013 19.776 1.00 0.00 N ATOM 1112 CA PRO A 21 6.948 7.048 18.704 1.00 0.00 C ATOM 1113 C PRO A 21 6.750 8.440 19.314 1.00 0.00 C ATOM 1114 O PRO A 21 7.034 9.451 18.702 1.00 0.00 O ATOM 1115 CB PRO A 21 5.725 6.612 17.886 1.00 0.00 C ATOM 1116 CG PRO A 21 4.888 5.820 18.837 1.00 0.00 C ATOM 1117 CD PRO A 21 5.866 5.135 19.795 1.00 0.00 C ATOM 0 HA PRO A 21 7.848 7.120 18.093 1.00 0.00 H new ATOM 0 HB2 PRO A 21 5.179 7.474 17.502 1.00 0.00 H new ATOM 0 HB3 PRO A 21 6.019 6.012 17.025 1.00 0.00 H new ATOM 0 HG2 PRO A 21 4.198 6.466 19.380 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.284 5.085 18.305 1.00 0.00 H new ATOM 0 HD2 PRO A 21 5.449 5.048 20.798 1.00 0.00 H new ATOM 0 HD3 PRO A 21 6.111 4.126 19.463 1.00 0.00 H new ATOM 1125 N VAL A 22 6.276 8.485 20.529 1.00 0.00 N ATOM 1126 CA VAL A 22 6.068 9.792 21.212 1.00 0.00 C ATOM 1127 C VAL A 22 5.806 9.550 22.699 1.00 0.00 C ATOM 1128 O VAL A 22 5.309 8.515 23.095 1.00 0.00 O ATOM 1129 CB VAL A 22 4.883 10.539 20.599 1.00 0.00 C ATOM 1130 CG1 VAL A 22 3.609 9.708 20.757 1.00 0.00 C ATOM 1131 CG2 VAL A 22 4.715 11.878 21.322 1.00 0.00 C ATOM 0 H VAL A 22 6.022 7.666 21.081 1.00 0.00 H new ATOM 0 HA VAL A 22 6.964 10.400 21.087 1.00 0.00 H new ATOM 0 HB VAL A 22 5.065 10.710 19.538 1.00 0.00 H new ATOM 0 HG11 VAL A 22 2.768 10.245 20.319 1.00 0.00 H new ATOM 0 HG12 VAL A 22 3.733 8.751 20.249 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.417 9.535 21.816 1.00 0.00 H new ATOM 0 HG21 VAL A 22 3.872 12.420 20.893 1.00 0.00 H new ATOM 0 HG22 VAL A 22 4.530 11.699 22.381 1.00 0.00 H new ATOM 0 HG23 VAL A 22 5.623 12.470 21.207 1.00 0.00 H new ATOM 1141 N TRP A 23 6.141 10.507 23.520 1.00 0.00 N ATOM 1142 CA TRP A 23 5.923 10.357 24.990 1.00 0.00 C ATOM 1143 C TRP A 23 4.610 11.026 25.397 1.00 0.00 C ATOM 1144 O TRP A 23 4.325 12.148 25.025 1.00 0.00 O ATOM 1145 CB TRP A 23 7.088 10.994 25.749 1.00 0.00 C ATOM 1146 CG TRP A 23 8.307 10.139 25.596 1.00 0.00 C ATOM 1147 CD1 TRP A 23 9.380 10.442 24.834 1.00 0.00 C ATOM 1148 CD2 TRP A 23 8.589 8.842 26.200 1.00 0.00 C ATOM 1149 NE1 TRP A 23 10.310 9.424 24.940 1.00 0.00 N ATOM 1150 CE2 TRP A 23 9.868 8.413 25.769 1.00 0.00 C ATOM 1151 CE3 TRP A 23 7.872 8.008 27.072 1.00 0.00 C ATOM 1152 CZ2 TRP A 23 10.412 7.197 26.190 1.00 0.00 C ATOM 1153 CZ3 TRP A 23 8.414 6.786 27.496 1.00 0.00 C ATOM 1154 CH2 TRP A 23 9.681 6.381 27.057 1.00 0.00 C ATOM 0 H TRP A 23 6.559 11.393 23.235 1.00 0.00 H new ATOM 0 HA TRP A 23 5.869 9.297 25.236 1.00 0.00 H new ATOM 0 HB2 TRP A 23 7.282 11.996 25.365 1.00 0.00 H new ATOM 0 HB3 TRP A 23 6.835 11.100 26.804 1.00 0.00 H new ATOM 0 HD1 TRP A 23 9.494 11.335 24.238 1.00 0.00 H new ATOM 0 HE1 TRP A 23 11.212 9.421 24.464 1.00 0.00 H new ATOM 0 HE3 TRP A 23 6.895 8.310 27.419 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 11.389 6.890 25.848 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 7.851 6.153 28.166 1.00 0.00 H new ATOM 0 HH2 TRP A 23 10.092 5.439 27.388 1.00 0.00 H new ATOM 1165 N ARG A 24 3.805 10.335 26.161 1.00 0.00 N ATOM 1166 CA ARG A 24 2.498 10.899 26.607 1.00 0.00 C ATOM 1167 C ARG A 24 2.645 11.460 28.022 1.00 0.00 C ATOM 1168 O ARG A 24 3.583 11.148 28.728 1.00 0.00 O ATOM 1169 CB ARG A 24 1.446 9.783 26.605 1.00 0.00 C ATOM 1170 CG ARG A 24 1.111 9.366 25.166 1.00 0.00 C ATOM 1171 CD ARG A 24 0.089 10.327 24.545 1.00 0.00 C ATOM 1172 NE ARG A 24 -0.003 10.070 23.080 1.00 0.00 N ATOM 1173 CZ ARG A 24 -1.007 10.550 22.399 1.00 0.00 C ATOM 1174 NH1 ARG A 24 -1.968 11.179 23.017 1.00 0.00 N ATOM 1175 NH2 ARG A 24 -1.055 10.390 21.106 1.00 0.00 N ATOM 0 H ARG A 24 4.001 9.393 26.499 1.00 0.00 H new ATOM 0 HA ARG A 24 2.189 11.697 25.932 1.00 0.00 H new ATOM 0 HB2 ARG A 24 1.818 8.923 27.162 1.00 0.00 H new ATOM 0 HB3 ARG A 24 0.543 10.125 27.111 1.00 0.00 H new ATOM 0 HG2 ARG A 24 2.020 9.356 24.564 1.00 0.00 H new ATOM 0 HG3 ARG A 24 0.713 8.351 25.160 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -0.886 10.190 25.012 1.00 0.00 H new ATOM 0 HD3 ARG A 24 0.387 11.360 24.727 1.00 0.00 H new ATOM 0 HE ARG A 24 0.717 9.520 22.611 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -1.933 11.294 24.030 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -2.754 11.555 22.487 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -0.307 9.889 20.626 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -1.840 10.766 20.574 1.00 0.00 H new ATOM 1189 N ARG A 25 1.721 12.289 28.436 1.00 0.00 N ATOM 1190 CA ARG A 25 1.786 12.888 29.804 1.00 0.00 C ATOM 1191 C ARG A 25 0.430 12.740 30.496 1.00 0.00 C ATOM 1192 O ARG A 25 -0.595 12.603 29.859 1.00 0.00 O ATOM 1193 CB ARG A 25 2.156 14.369 29.696 1.00 0.00 C ATOM 1194 CG ARG A 25 3.614 14.483 29.248 1.00 0.00 C ATOM 1195 CD ARG A 25 4.026 15.957 29.207 1.00 0.00 C ATOM 1196 NE ARG A 25 5.384 16.093 28.589 1.00 0.00 N ATOM 1197 CZ ARG A 25 6.432 15.480 29.075 1.00 0.00 C ATOM 1198 NH1 ARG A 25 6.368 14.855 30.219 1.00 0.00 N ATOM 1199 NH2 ARG A 25 7.568 15.538 28.438 1.00 0.00 N ATOM 0 H ARG A 25 0.917 12.579 27.880 1.00 0.00 H new ATOM 0 HA ARG A 25 2.544 12.370 30.391 1.00 0.00 H new ATOM 0 HB2 ARG A 25 1.502 14.870 28.982 1.00 0.00 H new ATOM 0 HB3 ARG A 25 2.017 14.864 30.657 1.00 0.00 H new ATOM 0 HG2 ARG A 25 4.259 13.934 29.933 1.00 0.00 H new ATOM 0 HG3 ARG A 25 3.738 14.033 28.263 1.00 0.00 H new ATOM 0 HD2 ARG A 25 3.298 16.531 28.634 1.00 0.00 H new ATOM 0 HD3 ARG A 25 4.034 16.369 30.216 1.00 0.00 H new ATOM 0 HE ARG A 25 5.495 16.682 27.764 1.00 0.00 H new ATOM 0 HH11 ARG A 25 5.494 14.841 30.744 1.00 0.00 H new ATOM 0 HH12 ARG A 25 7.192 14.380 30.588 1.00 0.00 H new ATOM 0 HH21 ARG A 25 7.637 16.060 27.564 1.00 0.00 H new ATOM 0 HH22 ARG A 25 8.388 15.061 28.813 1.00 0.00 H new ATOM 1213 N ASN A 26 0.432 12.762 31.803 1.00 0.00 N ATOM 1214 CA ASN A 26 -0.833 12.618 32.586 1.00 0.00 C ATOM 1215 C ASN A 26 -0.965 13.840 33.510 1.00 0.00 C ATOM 1216 O ASN A 26 0.032 14.354 33.973 1.00 0.00 O ATOM 1217 CB ASN A 26 -0.725 11.333 33.422 1.00 0.00 C ATOM 1218 CG ASN A 26 -1.782 11.315 34.528 1.00 0.00 C ATOM 1219 OD1 ASN A 26 -1.546 11.941 35.647 1.00 0.00 O flip ATOM 1220 ND2 ASN A 26 -2.833 10.725 34.372 1.00 0.00 N flip ATOM 0 H ASN A 26 1.271 12.876 32.371 1.00 0.00 H new ATOM 0 HA ASN A 26 -1.705 12.560 31.934 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -0.851 10.463 32.778 1.00 0.00 H new ATOM 0 HB3 ASN A 26 0.270 11.262 33.862 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -3.018 10.235 33.497 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -3.530 10.720 35.116 1.00 0.00 H new ATOM 1227 N PRO A 27 -2.163 14.314 33.783 1.00 0.00 N ATOM 1228 CA PRO A 27 -2.368 15.490 34.684 1.00 0.00 C ATOM 1229 C PRO A 27 -1.505 15.457 35.960 1.00 0.00 C ATOM 1230 O PRO A 27 -1.508 16.397 36.729 1.00 0.00 O ATOM 1231 CB PRO A 27 -3.855 15.414 35.042 1.00 0.00 C ATOM 1232 CG PRO A 27 -4.500 14.768 33.860 1.00 0.00 C ATOM 1233 CD PRO A 27 -3.457 13.813 33.264 1.00 0.00 C ATOM 0 HA PRO A 27 -2.073 16.415 34.188 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -4.014 14.829 35.948 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -4.269 16.406 35.226 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -5.398 14.226 34.156 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -4.805 15.515 33.128 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -3.638 12.783 33.573 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -3.481 13.828 32.174 1.00 0.00 H new ATOM 1241 N GLU A 28 -0.750 14.409 36.186 1.00 0.00 N ATOM 1242 CA GLU A 28 0.124 14.356 37.403 1.00 0.00 C ATOM 1243 C GLU A 28 1.543 14.793 37.025 1.00 0.00 C ATOM 1244 O GLU A 28 2.370 15.056 37.876 1.00 0.00 O ATOM 1245 CB GLU A 28 0.170 12.928 37.956 1.00 0.00 C ATOM 1246 CG GLU A 28 -1.179 12.568 38.582 1.00 0.00 C ATOM 1247 CD GLU A 28 -1.367 13.362 39.877 1.00 0.00 C ATOM 1248 OE1 GLU A 28 -0.372 13.651 40.521 1.00 0.00 O ATOM 1249 OE2 GLU A 28 -2.502 13.668 40.202 1.00 0.00 O ATOM 0 H GLU A 28 -0.700 13.589 35.582 1.00 0.00 H new ATOM 0 HA GLU A 28 -0.283 15.023 38.163 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.408 12.227 37.156 1.00 0.00 H new ATOM 0 HB3 GLU A 28 0.961 12.843 38.701 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.987 12.791 37.885 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -1.223 11.499 38.789 1.00 0.00 H new ATOM 1256 N GLY A 29 1.830 14.871 35.753 1.00 0.00 N ATOM 1257 CA GLY A 29 3.194 15.289 35.306 1.00 0.00 C ATOM 1258 C GLY A 29 4.115 14.072 35.197 1.00 0.00 C ATOM 1259 O GLY A 29 5.303 14.201 34.977 1.00 0.00 O ATOM 0 H GLY A 29 1.176 14.662 34.999 1.00 0.00 H new ATOM 0 HA2 GLY A 29 3.129 15.792 34.341 1.00 0.00 H new ATOM 0 HA3 GLY A 29 3.611 16.007 36.012 1.00 0.00 H new ATOM 1263 N GLN A 30 3.580 12.891 35.340 1.00 0.00 N ATOM 1264 CA GLN A 30 4.426 11.667 35.234 1.00 0.00 C ATOM 1265 C GLN A 30 4.585 11.299 33.749 1.00 0.00 C ATOM 1266 O GLN A 30 3.628 11.348 33.004 1.00 0.00 O ATOM 1267 CB GLN A 30 3.736 10.518 35.972 1.00 0.00 C ATOM 1268 CG GLN A 30 3.509 10.914 37.432 1.00 0.00 C ATOM 1269 CD GLN A 30 2.570 9.904 38.096 1.00 0.00 C ATOM 1270 OE1 GLN A 30 1.584 9.498 37.513 1.00 0.00 O ATOM 1271 NE2 GLN A 30 2.836 9.480 39.301 1.00 0.00 N ATOM 0 H GLN A 30 2.592 12.720 35.526 1.00 0.00 H new ATOM 0 HA GLN A 30 5.406 11.849 35.675 1.00 0.00 H new ATOM 0 HB2 GLN A 30 2.784 10.285 35.495 1.00 0.00 H new ATOM 0 HB3 GLN A 30 4.348 9.618 35.919 1.00 0.00 H new ATOM 0 HG2 GLN A 30 4.460 10.946 37.963 1.00 0.00 H new ATOM 0 HG3 GLN A 30 3.080 11.915 37.486 1.00 0.00 H new ATOM 0 HE21 GLN A 30 3.664 9.821 39.790 1.00 0.00 H new ATOM 0 HE22 GLN A 30 2.216 8.808 39.754 1.00 0.00 H new ATOM 1280 N PRO A 31 5.766 10.932 33.302 1.00 0.00 N ATOM 1281 CA PRO A 31 5.991 10.562 31.872 1.00 0.00 C ATOM 1282 C PRO A 31 5.407 9.183 31.528 1.00 0.00 C ATOM 1283 O PRO A 31 5.483 8.252 32.305 1.00 0.00 O ATOM 1284 CB PRO A 31 7.520 10.562 31.743 1.00 0.00 C ATOM 1285 CG PRO A 31 8.007 10.199 33.106 1.00 0.00 C ATOM 1286 CD PRO A 31 7.013 10.827 34.087 1.00 0.00 C ATOM 0 HA PRO A 31 5.498 11.250 31.185 1.00 0.00 H new ATOM 0 HB2 PRO A 31 7.856 9.842 30.996 1.00 0.00 H new ATOM 0 HB3 PRO A 31 7.893 11.539 31.435 1.00 0.00 H new ATOM 0 HG2 PRO A 31 8.048 9.117 33.231 1.00 0.00 H new ATOM 0 HG3 PRO A 31 9.015 10.578 33.275 1.00 0.00 H new ATOM 0 HD2 PRO A 31 6.878 10.206 34.973 1.00 0.00 H new ATOM 0 HD3 PRO A 31 7.353 11.804 34.431 1.00 0.00 H new ATOM 1294 N LEU A 32 4.826 9.055 30.362 1.00 0.00 N ATOM 1295 CA LEU A 32 4.230 7.744 29.943 1.00 0.00 C ATOM 1296 C LEU A 32 4.519 7.494 28.459 1.00 0.00 C ATOM 1297 O LEU A 32 4.597 8.417 27.675 1.00 0.00 O ATOM 1298 CB LEU A 32 2.712 7.779 30.150 1.00 0.00 C ATOM 1299 CG LEU A 32 2.365 7.953 31.636 1.00 0.00 C ATOM 1300 CD1 LEU A 32 0.866 8.232 31.765 1.00 0.00 C ATOM 1301 CD2 LEU A 32 2.710 6.677 32.417 1.00 0.00 C ATOM 0 H LEU A 32 4.737 9.805 29.676 1.00 0.00 H new ATOM 0 HA LEU A 32 4.669 6.948 30.544 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.281 8.598 29.574 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.268 6.857 29.774 1.00 0.00 H new ATOM 0 HG LEU A 32 2.941 8.783 32.044 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.608 8.357 32.817 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.617 9.142 31.219 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.303 7.395 31.351 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.459 6.815 33.469 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.141 5.839 32.015 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.776 6.470 32.323 1.00 0.00 H new ATOM 1313 N CYS A 33 4.648 6.253 28.058 1.00 0.00 N ATOM 1314 CA CYS A 33 4.904 5.963 26.617 1.00 0.00 C ATOM 1315 C CYS A 33 3.606 6.153 25.829 1.00 0.00 C ATOM 1316 O CYS A 33 2.642 6.693 26.332 1.00 0.00 O ATOM 1317 CB CYS A 33 5.446 4.538 26.444 1.00 0.00 C ATOM 1318 SG CYS A 33 4.137 3.317 26.713 1.00 0.00 S ATOM 0 H CYS A 33 4.587 5.434 28.663 1.00 0.00 H new ATOM 0 HA CYS A 33 5.657 6.652 26.235 1.00 0.00 H new ATOM 0 HB2 CYS A 33 5.859 4.420 25.442 1.00 0.00 H new ATOM 0 HB3 CYS A 33 6.261 4.366 27.147 1.00 0.00 H new ATOM 0 HG CYS A 33 4.582 2.365 27.479 1.00 0.00 H new ATOM 1323 N ASN A 34 3.575 5.741 24.591 1.00 0.00 N ATOM 1324 CA ASN A 34 2.338 5.941 23.781 1.00 0.00 C ATOM 1325 C ASN A 34 1.212 4.993 24.220 1.00 0.00 C ATOM 1326 O ASN A 34 0.082 5.409 24.389 1.00 0.00 O ATOM 1327 CB ASN A 34 2.656 5.713 22.300 1.00 0.00 C ATOM 1328 CG ASN A 34 3.217 4.304 22.091 1.00 0.00 C ATOM 1329 OD1 ASN A 34 3.511 3.604 23.039 1.00 0.00 O ATOM 1330 ND2 ASN A 34 3.378 3.858 20.873 1.00 0.00 N ATOM 0 H ASN A 34 4.345 5.278 24.108 1.00 0.00 H new ATOM 0 HA ASN A 34 1.993 6.963 23.938 1.00 0.00 H new ATOM 0 HB2 ASN A 34 1.754 5.846 21.702 1.00 0.00 H new ATOM 0 HB3 ASN A 34 3.378 6.454 21.957 1.00 0.00 H new ATOM 0 HD21 ASN A 34 3.751 2.921 20.718 1.00 0.00 H new ATOM 0 HD22 ASN A 34 3.131 4.447 20.078 1.00 0.00 H new ATOM 1337 N ALA A 35 1.490 3.728 24.376 1.00 0.00 N ATOM 1338 CA ALA A 35 0.412 2.767 24.767 1.00 0.00 C ATOM 1339 C ALA A 35 -0.165 3.077 26.157 1.00 0.00 C ATOM 1340 O ALA A 35 -1.366 3.147 26.327 1.00 0.00 O ATOM 1341 CB ALA A 35 0.978 1.347 24.754 1.00 0.00 C ATOM 0 H ALA A 35 2.414 3.316 24.251 1.00 0.00 H new ATOM 0 HA ALA A 35 -0.400 2.863 24.046 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.197 0.641 25.038 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.337 1.107 23.753 1.00 0.00 H new ATOM 0 HB3 ALA A 35 1.804 1.278 25.462 1.00 0.00 H new ATOM 1347 N CYS A 36 0.661 3.239 27.156 1.00 0.00 N ATOM 1348 CA CYS A 36 0.122 3.514 28.524 1.00 0.00 C ATOM 1349 C CYS A 36 -0.744 4.776 28.508 1.00 0.00 C ATOM 1350 O CYS A 36 -1.814 4.815 29.082 1.00 0.00 O ATOM 1351 CB CYS A 36 1.279 3.721 29.505 1.00 0.00 C ATOM 1352 SG CYS A 36 2.215 2.182 29.702 1.00 0.00 S ATOM 0 H CYS A 36 1.678 3.194 27.088 1.00 0.00 H new ATOM 0 HA CYS A 36 -0.482 2.662 28.836 1.00 0.00 H new ATOM 0 HB2 CYS A 36 1.936 4.511 29.142 1.00 0.00 H new ATOM 0 HB3 CYS A 36 0.893 4.046 30.471 1.00 0.00 H new ATOM 0 HG CYS A 36 3.472 2.459 29.887 1.00 0.00 H new ATOM 1357 N GLY A 37 -0.284 5.810 27.861 1.00 0.00 N ATOM 1358 CA GLY A 37 -1.071 7.076 27.817 1.00 0.00 C ATOM 1359 C GLY A 37 -2.418 6.853 27.126 1.00 0.00 C ATOM 1360 O GLY A 37 -3.452 7.261 27.619 1.00 0.00 O ATOM 0 H GLY A 37 0.604 5.834 27.360 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.233 7.444 28.830 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.507 7.842 27.286 1.00 0.00 H new ATOM 1364 N LEU A 38 -2.420 6.229 25.979 1.00 0.00 N ATOM 1365 CA LEU A 38 -3.703 6.007 25.253 1.00 0.00 C ATOM 1366 C LEU A 38 -4.601 5.022 26.014 1.00 0.00 C ATOM 1367 O LEU A 38 -5.774 5.268 26.209 1.00 0.00 O ATOM 1368 CB LEU A 38 -3.401 5.438 23.862 1.00 0.00 C ATOM 1369 CG LEU A 38 -2.566 6.435 23.044 1.00 0.00 C ATOM 1370 CD1 LEU A 38 -2.008 5.729 21.800 1.00 0.00 C ATOM 1371 CD2 LEU A 38 -3.433 7.625 22.605 1.00 0.00 C ATOM 0 H LEU A 38 -1.589 5.864 25.514 1.00 0.00 H new ATOM 0 HA LEU A 38 -4.225 6.961 25.170 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.862 4.495 23.957 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.333 5.221 23.341 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.748 6.802 23.663 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.415 6.434 21.217 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -1.380 4.893 22.107 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.833 5.358 21.191 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.827 8.323 22.027 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -4.259 7.266 21.991 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.828 8.132 23.485 1.00 0.00 H new ATOM 1383 N PHE A 39 -4.073 3.900 26.426 1.00 0.00 N ATOM 1384 CA PHE A 39 -4.917 2.900 27.146 1.00 0.00 C ATOM 1385 C PHE A 39 -5.310 3.397 28.540 1.00 0.00 C ATOM 1386 O PHE A 39 -6.459 3.345 28.927 1.00 0.00 O ATOM 1387 CB PHE A 39 -4.144 1.589 27.306 1.00 0.00 C ATOM 1388 CG PHE A 39 -5.070 0.532 27.866 1.00 0.00 C ATOM 1389 CD1 PHE A 39 -5.382 0.516 29.234 1.00 0.00 C ATOM 1390 CD2 PHE A 39 -5.630 -0.427 27.013 1.00 0.00 C ATOM 1391 CE1 PHE A 39 -6.253 -0.456 29.743 1.00 0.00 C ATOM 1392 CE2 PHE A 39 -6.500 -1.398 27.523 1.00 0.00 C ATOM 1393 CZ PHE A 39 -6.811 -1.412 28.888 1.00 0.00 C ATOM 0 H PHE A 39 -3.097 3.633 26.296 1.00 0.00 H new ATOM 0 HA PHE A 39 -5.820 2.747 26.555 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -3.746 1.268 26.344 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -3.293 1.733 27.971 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -4.950 1.253 29.895 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -5.390 -0.418 25.960 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -6.494 -0.467 30.796 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -6.931 -2.136 26.863 1.00 0.00 H new ATOM 0 HZ PHE A 39 -7.482 -2.161 29.281 1.00 0.00 H new ATOM 1403 N LEU A 40 -4.358 3.835 29.316 1.00 0.00 N ATOM 1404 CA LEU A 40 -4.673 4.277 30.705 1.00 0.00 C ATOM 1405 C LEU A 40 -5.673 5.437 30.680 1.00 0.00 C ATOM 1406 O LEU A 40 -6.663 5.426 31.384 1.00 0.00 O ATOM 1407 CB LEU A 40 -3.374 4.720 31.389 1.00 0.00 C ATOM 1408 CG LEU A 40 -3.570 4.795 32.913 1.00 0.00 C ATOM 1409 CD1 LEU A 40 -3.525 3.388 33.534 1.00 0.00 C ATOM 1410 CD2 LEU A 40 -2.454 5.650 33.523 1.00 0.00 C ATOM 0 H LEU A 40 -3.376 3.906 29.050 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.120 3.451 31.258 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.574 4.019 31.153 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -3.068 5.694 31.007 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.543 5.241 33.121 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.665 3.462 34.612 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.319 2.776 33.106 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.559 2.929 33.324 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.588 5.707 34.603 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.487 5.199 33.300 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.492 6.654 33.100 1.00 0.00 H new ATOM 1422 N LYS A 41 -5.423 6.441 29.888 1.00 0.00 N ATOM 1423 CA LYS A 41 -6.359 7.601 29.835 1.00 0.00 C ATOM 1424 C LYS A 41 -7.754 7.141 29.396 1.00 0.00 C ATOM 1425 O LYS A 41 -8.757 7.555 29.944 1.00 0.00 O ATOM 1426 CB LYS A 41 -5.814 8.624 28.833 1.00 0.00 C ATOM 1427 CG LYS A 41 -6.737 9.845 28.734 1.00 0.00 C ATOM 1428 CD LYS A 41 -6.857 10.543 30.096 1.00 0.00 C ATOM 1429 CE LYS A 41 -7.315 11.989 29.887 1.00 0.00 C ATOM 1430 NZ LYS A 41 -7.656 12.609 31.198 1.00 0.00 N ATOM 0 H LYS A 41 -4.611 6.510 29.274 1.00 0.00 H new ATOM 0 HA LYS A 41 -6.439 8.050 30.825 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.817 8.942 29.139 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -5.714 8.159 27.852 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -6.347 10.544 27.994 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.724 9.535 28.390 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -7.569 10.012 30.728 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -5.897 10.525 30.612 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -6.527 12.562 29.398 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -8.182 12.013 29.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -7.966 13.590 31.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -8.422 12.069 31.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -6.818 12.601 31.814 1.00 0.00 H new ATOM 1444 N LEU A 42 -7.825 6.301 28.398 1.00 0.00 N ATOM 1445 CA LEU A 42 -9.151 5.825 27.901 1.00 0.00 C ATOM 1446 C LEU A 42 -9.825 4.894 28.912 1.00 0.00 C ATOM 1447 O LEU A 42 -11.029 4.911 29.071 1.00 0.00 O ATOM 1448 CB LEU A 42 -8.957 5.055 26.588 1.00 0.00 C ATOM 1449 CG LEU A 42 -8.572 6.008 25.449 1.00 0.00 C ATOM 1450 CD1 LEU A 42 -8.108 5.178 24.248 1.00 0.00 C ATOM 1451 CD2 LEU A 42 -9.779 6.868 25.035 1.00 0.00 C ATOM 0 H LEU A 42 -7.018 5.922 27.903 1.00 0.00 H new ATOM 0 HA LEU A 42 -9.785 6.699 27.749 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -8.181 4.301 26.715 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -9.876 4.527 26.332 1.00 0.00 H new ATOM 0 HG LEU A 42 -7.773 6.667 25.788 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -7.831 5.844 23.431 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -7.245 4.576 24.533 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -8.917 4.523 23.924 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -9.488 7.538 24.226 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -10.588 6.221 24.697 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -10.117 7.455 25.889 1.00 0.00 H new ATOM 1463 N HIS A 43 -9.075 4.043 29.554 1.00 0.00 N ATOM 1464 CA HIS A 43 -9.694 3.072 30.503 1.00 0.00 C ATOM 1465 C HIS A 43 -9.849 3.662 31.910 1.00 0.00 C ATOM 1466 O HIS A 43 -10.852 3.445 32.560 1.00 0.00 O ATOM 1467 CB HIS A 43 -8.814 1.824 30.549 1.00 0.00 C ATOM 1468 CG HIS A 43 -8.805 1.190 29.186 1.00 0.00 C ATOM 1469 ND1 HIS A 43 -7.963 1.624 28.175 1.00 0.00 N ATOM 1470 CD2 HIS A 43 -9.536 0.159 28.650 1.00 0.00 C ATOM 1471 CE1 HIS A 43 -8.206 0.864 27.092 1.00 0.00 C ATOM 1472 NE2 HIS A 43 -9.156 -0.045 27.326 1.00 0.00 N ATOM 0 H HIS A 43 -8.061 3.976 29.464 1.00 0.00 H new ATOM 0 HA HIS A 43 -10.696 2.826 30.152 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -7.800 2.088 30.850 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -9.194 1.121 31.290 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -7.283 2.381 28.240 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -10.291 -0.408 29.175 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -7.695 0.975 26.147 1.00 0.00 H new ATOM 1480 N GLY A 44 -8.894 4.404 32.399 1.00 0.00 N ATOM 1481 CA GLY A 44 -9.044 4.986 33.765 1.00 0.00 C ATOM 1482 C GLY A 44 -8.912 3.901 34.839 1.00 0.00 C ATOM 1483 O GLY A 44 -9.249 4.117 35.986 1.00 0.00 O ATOM 0 H GLY A 44 -8.024 4.632 31.918 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -8.286 5.754 33.923 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -10.015 5.474 33.852 1.00 0.00 H new ATOM 1487 N VAL A 45 -8.423 2.740 34.488 1.00 0.00 N ATOM 1488 CA VAL A 45 -8.266 1.645 35.496 1.00 0.00 C ATOM 1489 C VAL A 45 -6.932 0.939 35.259 1.00 0.00 C ATOM 1490 O VAL A 45 -6.221 1.228 34.316 1.00 0.00 O ATOM 1491 CB VAL A 45 -9.408 0.630 35.364 1.00 0.00 C ATOM 1492 CG1 VAL A 45 -10.683 1.196 35.995 1.00 0.00 C ATOM 1493 CG2 VAL A 45 -9.663 0.342 33.886 1.00 0.00 C ATOM 0 H VAL A 45 -8.124 2.501 33.543 1.00 0.00 H new ATOM 0 HA VAL A 45 -8.292 2.074 36.497 1.00 0.00 H new ATOM 0 HB VAL A 45 -9.129 -0.291 35.877 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -11.490 0.470 35.898 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -10.506 1.403 37.050 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -10.962 2.119 35.487 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -10.475 -0.379 33.791 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -9.937 1.266 33.377 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -8.759 -0.067 33.434 1.00 0.00 H new ATOM 1503 N VAL A 46 -6.585 0.020 36.113 1.00 0.00 N ATOM 1504 CA VAL A 46 -5.297 -0.704 35.951 1.00 0.00 C ATOM 1505 C VAL A 46 -5.226 -1.343 34.565 1.00 0.00 C ATOM 1506 O VAL A 46 -6.222 -1.765 34.012 1.00 0.00 O ATOM 1507 CB VAL A 46 -5.192 -1.789 37.022 1.00 0.00 C ATOM 1508 CG1 VAL A 46 -5.203 -1.128 38.399 1.00 0.00 C ATOM 1509 CG2 VAL A 46 -6.382 -2.749 36.909 1.00 0.00 C ATOM 0 H VAL A 46 -7.141 -0.262 36.920 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.472 0.000 36.058 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.267 -2.350 36.884 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -5.128 -1.894 39.171 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -4.357 -0.446 38.482 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -6.131 -0.572 38.528 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.301 -3.520 37.675 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -7.311 -2.195 37.048 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -6.381 -3.215 35.924 1.00 0.00 H new ATOM 1519 N ARG A 47 -4.046 -1.427 34.014 1.00 0.00 N ATOM 1520 CA ARG A 47 -3.865 -2.048 32.670 1.00 0.00 C ATOM 1521 C ARG A 47 -2.877 -3.217 32.799 1.00 0.00 C ATOM 1522 O ARG A 47 -1.735 -3.002 33.154 1.00 0.00 O ATOM 1523 CB ARG A 47 -3.267 -1.005 31.725 1.00 0.00 C ATOM 1524 CG ARG A 47 -3.123 -1.601 30.319 1.00 0.00 C ATOM 1525 CD ARG A 47 -2.409 -0.605 29.399 1.00 0.00 C ATOM 1526 NE ARG A 47 -0.950 -0.893 29.427 1.00 0.00 N ATOM 1527 CZ ARG A 47 -0.177 -0.415 28.495 1.00 0.00 C ATOM 1528 NH1 ARG A 47 -0.677 0.349 27.564 1.00 0.00 N ATOM 1529 NH2 ARG A 47 1.095 -0.700 28.499 1.00 0.00 N ATOM 0 H ARG A 47 -3.186 -1.086 34.445 1.00 0.00 H new ATOM 0 HA ARG A 47 -4.822 -2.401 32.285 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -3.905 -0.122 31.692 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -2.294 -0.681 32.094 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -2.560 -2.533 30.366 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -4.106 -1.842 29.915 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -2.791 -0.689 28.382 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -2.599 0.417 29.728 1.00 0.00 H new ATOM 0 HE ARG A 47 -0.556 -1.464 30.175 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -1.672 0.571 27.567 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -0.073 0.724 26.833 1.00 0.00 H new ATOM 0 HH21 ARG A 47 1.482 -1.296 29.231 1.00 0.00 H new ATOM 0 HH22 ARG A 47 1.703 -0.327 27.770 1.00 0.00 H new ATOM 1543 N PRO A 48 -3.261 -4.437 32.501 1.00 0.00 N ATOM 1544 CA PRO A 48 -2.311 -5.580 32.590 1.00 0.00 C ATOM 1545 C PRO A 48 -1.004 -5.245 31.862 1.00 0.00 C ATOM 1546 O PRO A 48 -0.873 -5.440 30.670 1.00 0.00 O ATOM 1547 CB PRO A 48 -3.057 -6.733 31.909 1.00 0.00 C ATOM 1548 CG PRO A 48 -4.503 -6.408 32.092 1.00 0.00 C ATOM 1549 CD PRO A 48 -4.599 -4.880 32.060 1.00 0.00 C ATOM 0 HA PRO A 48 -2.026 -5.825 33.613 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -2.797 -6.804 30.853 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -2.806 -7.691 32.364 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -5.106 -6.854 31.301 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -4.875 -6.803 33.037 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -4.833 -4.514 31.060 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -5.382 -4.514 32.725 1.00 0.00 H new ATOM 1557 N LEU A 49 -0.046 -4.721 32.574 1.00 0.00 N ATOM 1558 CA LEU A 49 1.246 -4.345 31.932 1.00 0.00 C ATOM 1559 C LEU A 49 1.846 -5.562 31.221 1.00 0.00 C ATOM 1560 O LEU A 49 2.729 -5.435 30.396 1.00 0.00 O ATOM 1561 CB LEU A 49 2.220 -3.834 32.997 1.00 0.00 C ATOM 1562 CG LEU A 49 1.550 -2.755 33.860 1.00 0.00 C ATOM 1563 CD1 LEU A 49 2.547 -2.263 34.915 1.00 0.00 C ATOM 1564 CD2 LEU A 49 1.104 -1.574 32.986 1.00 0.00 C ATOM 0 H LEU A 49 -0.101 -4.536 33.576 1.00 0.00 H new ATOM 0 HA LEU A 49 1.068 -3.557 31.200 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.547 -4.661 33.627 1.00 0.00 H new ATOM 0 HB3 LEU A 49 3.110 -3.426 32.519 1.00 0.00 H new ATOM 0 HG LEU A 49 0.673 -3.182 34.348 1.00 0.00 H new ATOM 0 HD11 LEU A 49 2.076 -1.496 35.531 1.00 0.00 H new ATOM 0 HD12 LEU A 49 2.852 -3.098 35.545 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.423 -1.844 34.420 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.631 -0.817 33.611 1.00 0.00 H new ATOM 0 HD22 LEU A 49 1.972 -1.142 32.487 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.392 -1.923 32.238 1.00 0.00 H new ATOM 1576 N SER A 50 1.385 -6.741 31.539 1.00 0.00 N ATOM 1577 CA SER A 50 1.943 -7.960 30.884 1.00 0.00 C ATOM 1578 C SER A 50 1.662 -7.927 29.378 1.00 0.00 C ATOM 1579 O SER A 50 2.196 -8.715 28.623 1.00 0.00 O ATOM 1580 CB SER A 50 1.303 -9.210 31.491 1.00 0.00 C ATOM 1581 OG SER A 50 1.659 -9.301 32.864 1.00 0.00 O ATOM 0 H SER A 50 0.648 -6.913 32.222 1.00 0.00 H new ATOM 0 HA SER A 50 3.021 -7.984 31.046 1.00 0.00 H new ATOM 0 HB2 SER A 50 0.219 -9.164 31.387 1.00 0.00 H new ATOM 0 HB3 SER A 50 1.637 -10.099 30.957 1.00 0.00 H new ATOM 0 HG SER A 50 1.249 -10.100 33.256 1.00 0.00 H new ATOM 1587 N LEU A 51 0.832 -7.023 28.929 1.00 0.00 N ATOM 1588 CA LEU A 51 0.530 -6.951 27.468 1.00 0.00 C ATOM 1589 C LEU A 51 1.679 -6.244 26.756 1.00 0.00 C ATOM 1590 O LEU A 51 2.026 -6.571 25.638 1.00 0.00 O ATOM 1591 CB LEU A 51 -0.742 -6.133 27.249 1.00 0.00 C ATOM 1592 CG LEU A 51 -1.923 -6.774 27.987 1.00 0.00 C ATOM 1593 CD1 LEU A 51 -3.008 -5.717 28.202 1.00 0.00 C ATOM 1594 CD2 LEU A 51 -2.509 -7.924 27.158 1.00 0.00 C ATOM 0 H LEU A 51 0.352 -6.334 29.507 1.00 0.00 H new ATOM 0 HA LEU A 51 0.399 -7.960 27.077 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.592 -5.114 27.605 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.962 -6.069 26.183 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.575 -7.164 28.943 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -3.853 -6.164 28.726 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.605 -4.897 28.796 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.341 -5.336 27.237 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.347 -8.369 27.695 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.856 -7.541 26.198 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.742 -8.680 26.991 1.00 0.00 H new ATOM 1606 N LYS A 52 2.260 -5.266 27.391 1.00 0.00 N ATOM 1607 CA LYS A 52 3.380 -4.520 26.751 1.00 0.00 C ATOM 1608 C LYS A 52 4.365 -5.500 26.110 1.00 0.00 C ATOM 1609 O LYS A 52 4.436 -6.659 26.473 1.00 0.00 O ATOM 1610 CB LYS A 52 4.109 -3.677 27.808 1.00 0.00 C ATOM 1611 CG LYS A 52 5.225 -2.831 27.152 1.00 0.00 C ATOM 1612 CD LYS A 52 6.595 -3.527 27.281 1.00 0.00 C ATOM 1613 CE LYS A 52 7.282 -3.110 28.585 1.00 0.00 C ATOM 1614 NZ LYS A 52 8.449 -4.001 28.835 1.00 0.00 N ATOM 0 H LYS A 52 2.008 -4.950 28.327 1.00 0.00 H new ATOM 0 HA LYS A 52 2.975 -3.866 25.979 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.398 -3.023 28.313 1.00 0.00 H new ATOM 0 HB3 LYS A 52 4.539 -4.329 28.569 1.00 0.00 H new ATOM 0 HG2 LYS A 52 4.993 -2.670 26.099 1.00 0.00 H new ATOM 0 HG3 LYS A 52 5.266 -1.849 27.623 1.00 0.00 H new ATOM 0 HD2 LYS A 52 6.464 -4.609 27.261 1.00 0.00 H new ATOM 0 HD3 LYS A 52 7.225 -3.266 26.430 1.00 0.00 H new ATOM 0 HE2 LYS A 52 7.610 -2.072 28.521 1.00 0.00 H new ATOM 0 HE3 LYS A 52 6.579 -3.172 29.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 8.917 -3.720 29.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 8.124 -4.986 28.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 9.122 -3.921 28.047 1.00 0.00 H new ATOM 1628 N THR A 53 5.144 -5.026 25.178 1.00 0.00 N ATOM 1629 CA THR A 53 6.160 -5.888 24.512 1.00 0.00 C ATOM 1630 C THR A 53 7.353 -5.015 24.136 1.00 0.00 C ATOM 1631 O THR A 53 7.270 -3.803 24.165 1.00 0.00 O ATOM 1632 CB THR A 53 5.579 -6.513 23.244 1.00 0.00 C ATOM 1633 OG1 THR A 53 6.635 -7.046 22.457 1.00 0.00 O ATOM 1634 CG2 THR A 53 4.827 -5.450 22.443 1.00 0.00 C ATOM 0 H THR A 53 5.119 -4.062 24.845 1.00 0.00 H new ATOM 0 HA THR A 53 6.462 -6.687 25.189 1.00 0.00 H new ATOM 0 HB THR A 53 4.888 -7.311 23.516 1.00 0.00 H new ATOM 0 HG1 THR A 53 6.454 -6.878 21.509 1.00 0.00 H new ATOM 0 HG21 THR A 53 4.414 -5.899 21.540 1.00 0.00 H new ATOM 0 HG22 THR A 53 4.017 -5.043 23.049 1.00 0.00 H new ATOM 0 HG23 THR A 53 5.513 -4.648 22.169 1.00 0.00 H new ATOM 1642 N ASP A 54 8.459 -5.605 23.781 1.00 0.00 N ATOM 1643 CA ASP A 54 9.648 -4.784 23.404 1.00 0.00 C ATOM 1644 C ASP A 54 9.650 -4.579 21.891 1.00 0.00 C ATOM 1645 O ASP A 54 10.497 -3.899 21.347 1.00 0.00 O ATOM 1646 CB ASP A 54 10.929 -5.511 23.821 1.00 0.00 C ATOM 1647 CG ASP A 54 11.091 -5.429 25.340 1.00 0.00 C ATOM 1648 OD1 ASP A 54 10.383 -4.645 25.952 1.00 0.00 O ATOM 1649 OD2 ASP A 54 11.921 -6.152 25.867 1.00 0.00 O ATOM 0 H ASP A 54 8.594 -6.615 23.735 1.00 0.00 H new ATOM 0 HA ASP A 54 9.603 -3.819 23.909 1.00 0.00 H new ATOM 0 HB2 ASP A 54 10.888 -6.553 23.505 1.00 0.00 H new ATOM 0 HB3 ASP A 54 11.791 -5.062 23.328 1.00 0.00 H new ATOM 1654 N VAL A 55 8.681 -5.139 21.218 1.00 0.00 N ATOM 1655 CA VAL A 55 8.577 -4.967 19.738 1.00 0.00 C ATOM 1656 C VAL A 55 7.337 -4.128 19.450 1.00 0.00 C ATOM 1657 O VAL A 55 6.266 -4.393 19.962 1.00 0.00 O ATOM 1658 CB VAL A 55 8.435 -6.328 19.052 1.00 0.00 C ATOM 1659 CG1 VAL A 55 8.389 -6.128 17.533 1.00 0.00 C ATOM 1660 CG2 VAL A 55 9.632 -7.209 19.414 1.00 0.00 C ATOM 0 H VAL A 55 7.949 -5.715 21.634 1.00 0.00 H new ATOM 0 HA VAL A 55 9.475 -4.480 19.358 1.00 0.00 H new ATOM 0 HB VAL A 55 7.516 -6.810 19.385 1.00 0.00 H new ATOM 0 HG11 VAL A 55 8.288 -7.096 17.042 1.00 0.00 H new ATOM 0 HG12 VAL A 55 7.537 -5.499 17.274 1.00 0.00 H new ATOM 0 HG13 VAL A 55 9.309 -5.647 17.201 1.00 0.00 H new ATOM 0 HG21 VAL A 55 9.531 -8.178 18.926 1.00 0.00 H new ATOM 0 HG22 VAL A 55 10.552 -6.728 19.080 1.00 0.00 H new ATOM 0 HG23 VAL A 55 9.667 -7.349 20.494 1.00 0.00 H new ATOM 1670 N ILE A 56 7.468 -3.127 18.625 1.00 0.00 N ATOM 1671 CA ILE A 56 6.297 -2.270 18.285 1.00 0.00 C ATOM 1672 C ILE A 56 5.791 -2.659 16.898 1.00 0.00 C ATOM 1673 O ILE A 56 6.562 -2.909 15.993 1.00 0.00 O ATOM 1674 CB ILE A 56 6.711 -0.799 18.275 1.00 0.00 C ATOM 1675 CG1 ILE A 56 7.238 -0.405 19.657 1.00 0.00 C ATOM 1676 CG2 ILE A 56 5.486 0.054 17.941 1.00 0.00 C ATOM 1677 CD1 ILE A 56 7.934 0.954 19.569 1.00 0.00 C ATOM 0 H ILE A 56 8.341 -2.864 18.169 1.00 0.00 H new ATOM 0 HA ILE A 56 5.513 -2.414 19.028 1.00 0.00 H new ATOM 0 HB ILE A 56 7.493 -0.640 17.532 1.00 0.00 H new ATOM 0 HG12 ILE A 56 6.416 -0.359 20.372 1.00 0.00 H new ATOM 0 HG13 ILE A 56 7.935 -1.160 20.021 1.00 0.00 H new ATOM 0 HG21 ILE A 56 5.768 1.107 17.931 1.00 0.00 H new ATOM 0 HG22 ILE A 56 5.102 -0.229 16.961 1.00 0.00 H new ATOM 0 HG23 ILE A 56 4.714 -0.108 18.693 1.00 0.00 H new ATOM 0 HD11 ILE A 56 8.309 1.235 20.553 1.00 0.00 H new ATOM 0 HD12 ILE A 56 8.766 0.892 18.867 1.00 0.00 H new ATOM 0 HD13 ILE A 56 7.223 1.705 19.224 1.00 0.00 H new ATOM 1689 N LYS A 57 4.502 -2.717 16.725 1.00 0.00 N ATOM 1690 CA LYS A 57 3.946 -3.091 15.396 1.00 0.00 C ATOM 1691 C LYS A 57 3.945 -1.866 14.483 1.00 0.00 C ATOM 1692 O LYS A 57 3.338 -0.858 14.782 1.00 0.00 O ATOM 1693 CB LYS A 57 2.509 -3.590 15.587 1.00 0.00 C ATOM 1694 CG LYS A 57 1.880 -3.976 14.241 1.00 0.00 C ATOM 1695 CD LYS A 57 2.689 -5.093 13.570 1.00 0.00 C ATOM 1696 CE LYS A 57 1.815 -5.810 12.539 1.00 0.00 C ATOM 1697 NZ LYS A 57 2.612 -6.882 11.876 1.00 0.00 N ATOM 0 H LYS A 57 3.808 -2.522 17.447 1.00 0.00 H new ATOM 0 HA LYS A 57 4.554 -3.875 14.944 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.505 -4.451 16.255 1.00 0.00 H new ATOM 0 HB3 LYS A 57 1.910 -2.814 16.063 1.00 0.00 H new ATOM 0 HG2 LYS A 57 0.852 -4.305 14.394 1.00 0.00 H new ATOM 0 HG3 LYS A 57 1.841 -3.104 13.588 1.00 0.00 H new ATOM 0 HD2 LYS A 57 3.572 -4.676 13.086 1.00 0.00 H new ATOM 0 HD3 LYS A 57 3.041 -5.802 14.320 1.00 0.00 H new ATOM 0 HE2 LYS A 57 0.939 -6.240 13.024 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.452 -5.099 11.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 2.020 -7.371 11.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 3.435 -6.459 11.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 2.938 -7.564 12.590 1.00 0.00 H new ATOM 1711 N LYS A 58 4.619 -1.944 13.368 1.00 0.00 N ATOM 1712 CA LYS A 58 4.649 -0.783 12.433 1.00 0.00 C ATOM 1713 C LYS A 58 3.442 -0.829 11.503 1.00 0.00 C ATOM 1714 O LYS A 58 3.220 -1.793 10.797 1.00 0.00 O ATOM 1715 CB LYS A 58 5.933 -0.814 11.605 1.00 0.00 C ATOM 1716 CG LYS A 58 7.112 -0.429 12.496 1.00 0.00 C ATOM 1717 CD LYS A 58 8.399 -0.456 11.676 1.00 0.00 C ATOM 1718 CE LYS A 58 9.572 -0.066 12.573 1.00 0.00 C ATOM 1719 NZ LYS A 58 10.833 -0.097 11.780 1.00 0.00 N ATOM 0 H LYS A 58 5.150 -2.760 13.064 1.00 0.00 H new ATOM 0 HA LYS A 58 4.618 0.138 13.016 1.00 0.00 H new ATOM 0 HB2 LYS A 58 6.087 -1.809 11.187 1.00 0.00 H new ATOM 0 HB3 LYS A 58 5.855 -0.124 10.765 1.00 0.00 H new ATOM 0 HG2 LYS A 58 6.956 0.565 12.915 1.00 0.00 H new ATOM 0 HG3 LYS A 58 7.188 -1.120 13.335 1.00 0.00 H new ATOM 0 HD2 LYS A 58 8.559 -1.451 11.260 1.00 0.00 H new ATOM 0 HD3 LYS A 58 8.323 0.233 10.835 1.00 0.00 H new ATOM 0 HE2 LYS A 58 9.413 0.930 12.985 1.00 0.00 H new ATOM 0 HE3 LYS A 58 9.643 -0.753 13.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 11.633 0.168 12.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 10.985 -1.056 11.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 10.762 0.575 10.989 1.00 0.00 H new ATOM 1733 N ARG A 59 2.648 0.208 11.512 1.00 0.00 N ATOM 1734 CA ARG A 59 1.432 0.245 10.650 1.00 0.00 C ATOM 1735 C ARG A 59 1.726 1.073 9.401 1.00 0.00 C ATOM 1736 O ARG A 59 2.825 1.551 9.200 1.00 0.00 O ATOM 1737 CB ARG A 59 0.277 0.898 11.419 1.00 0.00 C ATOM 1738 CG ARG A 59 0.076 0.212 12.778 1.00 0.00 C ATOM 1739 CD ARG A 59 -0.673 -1.111 12.595 1.00 0.00 C ATOM 1740 NE ARG A 59 -0.893 -1.743 13.927 1.00 0.00 N ATOM 1741 CZ ARG A 59 -1.742 -2.726 14.047 1.00 0.00 C ATOM 1742 NH1 ARG A 59 -2.415 -3.135 13.006 1.00 0.00 N ATOM 1743 NH2 ARG A 59 -1.920 -3.299 15.205 1.00 0.00 N ATOM 0 H ARG A 59 2.792 1.039 12.086 1.00 0.00 H new ATOM 0 HA ARG A 59 1.157 -0.771 10.368 1.00 0.00 H new ATOM 0 HB2 ARG A 59 0.485 1.958 11.568 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -0.640 0.832 10.833 1.00 0.00 H new ATOM 0 HG2 ARG A 59 1.042 0.030 13.248 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -0.485 0.867 13.445 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -1.629 -0.935 12.101 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -0.100 -1.780 11.953 1.00 0.00 H new ATOM 0 HE ARG A 59 -0.381 -1.408 14.743 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -2.277 -2.686 12.101 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -3.079 -3.904 13.098 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -1.395 -2.979 16.019 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -2.584 -4.068 15.297 1.00 0.00 H new ATOM 1757 N ASN A 60 0.757 1.208 8.539 1.00 0.00 N ATOM 1758 CA ASN A 60 0.974 1.960 7.274 1.00 0.00 C ATOM 1759 C ASN A 60 1.031 3.464 7.541 1.00 0.00 C ATOM 1760 O ASN A 60 0.912 3.926 8.658 1.00 0.00 O ATOM 1761 CB ASN A 60 -0.187 1.686 6.317 1.00 0.00 C ATOM 1762 CG ASN A 60 -0.196 0.210 5.916 1.00 0.00 C ATOM 1763 OD1 ASN A 60 0.844 -0.390 5.732 1.00 0.00 O ATOM 1764 ND2 ASN A 60 -1.338 -0.403 5.777 1.00 0.00 N ATOM 0 H ASN A 60 -0.182 0.827 8.658 1.00 0.00 H new ATOM 0 HA ASN A 60 1.919 1.634 6.839 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -1.132 1.948 6.794 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -0.093 2.312 5.430 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -1.359 -1.388 5.513 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -2.210 0.102 5.932 1.00 0.00 H new