USER MOD reduce.3.24.130724 H: found=0, std=0, add=420, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 416 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 12 CYS SG : rot 159:sc= -0.123! USER MOD Set 1.2: A 15 CYS SG : rot -61:sc= -5.18! USER MOD Set 1.3: A 20 THR OG1 : rot -123:sc= -0.883 USER MOD Set 1.4: A 33 CYS SG : rot 95:sc= 0.631 USER MOD Set 1.5: A 34 ASN : amide:sc= -1.36! C(o=-6.7!,f=-21!) USER MOD Set 1.6: A 36 CYS SG : rot 94:sc= 0.181 USER MOD Set 1.7: A 52 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.354) USER MOD Single : A 10 THR OG1 : rot 37:sc= 0.0608 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 150:sc=0.000163 USER MOD Single : A 14 ASN : amide:sc= -3.99! C(o=-4!,f=-4.9!) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -6.05! C(o=-6!,f=-4.6!) USER MOD Single : A 30 GLN : amide:sc= -0.0104 X(o=-0.01,f=0.37) USER MOD Single : A 41 LYS NZ :NH3+ -106:sc= -3.55! (180deg=-6.31!) USER MOD Single : A 43 HIS : no HE2:sc= -1.56 K(o=-1.6,f=-8.1!) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.685 USER MOD Single : A 57 LYS NZ :NH3+ -127:sc= -1.2 (180deg=-3.3!) USER MOD Single : A 58 LYS NZ :NH3+ -162:sc= -0.137 (180deg=-0.698) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.074) USER MOD ----------------------------------------------------------------- ATOM 955 N THR A 10 12.624 11.740 31.253 1.00 0.00 N ATOM 956 CA THR A 10 11.221 11.334 30.947 1.00 0.00 C ATOM 957 C THR A 10 11.035 9.844 31.238 1.00 0.00 C ATOM 958 O THR A 10 11.700 8.997 30.676 1.00 0.00 O ATOM 959 CB THR A 10 10.917 11.600 29.470 1.00 0.00 C ATOM 960 OG1 THR A 10 11.029 12.992 29.209 1.00 0.00 O ATOM 961 CG2 THR A 10 9.497 11.126 29.143 1.00 0.00 C ATOM 0 HA THR A 10 10.541 11.914 31.571 1.00 0.00 H new ATOM 0 HB THR A 10 11.628 11.056 28.848 1.00 0.00 H new ATOM 0 HG1 THR A 10 11.769 13.364 29.732 1.00 0.00 H new ATOM 0 HG21 THR A 10 9.283 11.316 28.091 1.00 0.00 H new ATOM 0 HG22 THR A 10 9.415 10.058 29.342 1.00 0.00 H new ATOM 0 HG23 THR A 10 8.781 11.666 29.762 1.00 0.00 H new ATOM 969 N THR A 11 10.127 9.525 32.124 1.00 0.00 N ATOM 970 CA THR A 11 9.873 8.099 32.486 1.00 0.00 C ATOM 971 C THR A 11 8.365 7.891 32.671 1.00 0.00 C ATOM 972 O THR A 11 7.662 8.779 33.112 1.00 0.00 O ATOM 973 CB THR A 11 10.610 7.797 33.794 1.00 0.00 C ATOM 974 OG1 THR A 11 12.000 8.018 33.608 1.00 0.00 O ATOM 975 CG2 THR A 11 10.377 6.344 34.210 1.00 0.00 C ATOM 0 H THR A 11 9.544 10.201 32.618 1.00 0.00 H new ATOM 0 HA THR A 11 10.229 7.432 31.701 1.00 0.00 H new ATOM 0 HB THR A 11 10.231 8.453 34.577 1.00 0.00 H new ATOM 0 HG1 THR A 11 12.476 7.828 34.443 1.00 0.00 H new ATOM 0 HG21 THR A 11 10.907 6.143 35.141 1.00 0.00 H new ATOM 0 HG22 THR A 11 9.310 6.174 34.355 1.00 0.00 H new ATOM 0 HG23 THR A 11 10.748 5.678 33.431 1.00 0.00 H new ATOM 983 N CYS A 12 7.853 6.732 32.342 1.00 0.00 N ATOM 984 CA CYS A 12 6.388 6.497 32.513 1.00 0.00 C ATOM 985 C CYS A 12 6.110 6.173 33.982 1.00 0.00 C ATOM 986 O CYS A 12 6.464 5.121 34.477 1.00 0.00 O ATOM 987 CB CYS A 12 5.931 5.336 31.628 1.00 0.00 C ATOM 988 SG CYS A 12 4.143 5.457 31.377 1.00 0.00 S ATOM 0 H CYS A 12 8.381 5.945 31.966 1.00 0.00 H new ATOM 0 HA CYS A 12 5.838 7.391 32.219 1.00 0.00 H new ATOM 0 HB2 CYS A 12 6.449 5.367 30.669 1.00 0.00 H new ATOM 0 HB3 CYS A 12 6.182 4.384 32.096 1.00 0.00 H new ATOM 0 HG CYS A 12 3.808 4.790 30.313 1.00 0.00 H new ATOM 993 N THR A 13 5.453 7.065 34.669 1.00 0.00 N ATOM 994 CA THR A 13 5.138 6.833 36.106 1.00 0.00 C ATOM 995 C THR A 13 4.139 5.688 36.240 1.00 0.00 C ATOM 996 O THR A 13 3.863 5.222 37.328 1.00 0.00 O ATOM 997 CB THR A 13 4.536 8.104 36.709 1.00 0.00 C ATOM 998 OG1 THR A 13 3.473 8.558 35.883 1.00 0.00 O ATOM 999 CG2 THR A 13 5.614 9.184 36.804 1.00 0.00 C ATOM 0 H THR A 13 5.118 7.952 34.293 1.00 0.00 H new ATOM 0 HA THR A 13 6.055 6.575 36.635 1.00 0.00 H new ATOM 0 HB THR A 13 4.153 7.891 37.707 1.00 0.00 H new ATOM 0 HG1 THR A 13 2.806 9.019 36.433 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.185 10.089 37.234 1.00 0.00 H new ATOM 0 HG22 THR A 13 6.427 8.831 37.438 1.00 0.00 H new ATOM 0 HG23 THR A 13 5.999 9.402 35.808 1.00 0.00 H new ATOM 1007 N ASN A 14 3.578 5.240 35.147 1.00 0.00 N ATOM 1008 CA ASN A 14 2.576 4.136 35.221 1.00 0.00 C ATOM 1009 C ASN A 14 3.221 2.791 34.877 1.00 0.00 C ATOM 1010 O ASN A 14 2.903 1.793 35.494 1.00 0.00 O ATOM 1011 CB ASN A 14 1.445 4.418 34.228 1.00 0.00 C ATOM 1012 CG ASN A 14 0.539 5.520 34.782 1.00 0.00 C ATOM 1013 OD1 ASN A 14 0.804 6.069 35.833 1.00 0.00 O ATOM 1014 ND2 ASN A 14 -0.533 5.858 34.121 1.00 0.00 N ATOM 0 H ASN A 14 3.770 5.590 34.208 1.00 0.00 H new ATOM 0 HA ASN A 14 2.186 4.086 36.238 1.00 0.00 H new ATOM 0 HB2 ASN A 14 1.859 4.722 33.267 1.00 0.00 H new ATOM 0 HB3 ASN A 14 0.866 3.511 34.053 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -1.150 6.584 34.486 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -0.755 5.397 33.239 1.00 0.00 H new ATOM 1021 N CYS A 15 4.085 2.724 33.885 1.00 0.00 N ATOM 1022 CA CYS A 15 4.689 1.401 33.509 1.00 0.00 C ATOM 1023 C CYS A 15 6.217 1.495 33.427 1.00 0.00 C ATOM 1024 O CYS A 15 6.881 0.524 33.124 1.00 0.00 O ATOM 1025 CB CYS A 15 4.107 0.935 32.167 1.00 0.00 C ATOM 1026 SG CYS A 15 4.860 1.838 30.793 1.00 0.00 S ATOM 0 H CYS A 15 4.395 3.519 33.326 1.00 0.00 H new ATOM 0 HA CYS A 15 4.443 0.673 34.282 1.00 0.00 H new ATOM 0 HB2 CYS A 15 4.278 -0.134 32.043 1.00 0.00 H new ATOM 0 HB3 CYS A 15 3.028 1.088 32.161 1.00 0.00 H new ATOM 0 HG CYS A 15 4.606 3.107 30.917 1.00 0.00 H new ATOM 1031 N PHE A 16 6.782 2.636 33.724 1.00 0.00 N ATOM 1032 CA PHE A 16 8.272 2.793 33.716 1.00 0.00 C ATOM 1033 C PHE A 16 8.900 2.471 32.357 1.00 0.00 C ATOM 1034 O PHE A 16 10.109 2.471 32.228 1.00 0.00 O ATOM 1035 CB PHE A 16 8.890 1.888 34.786 1.00 0.00 C ATOM 1036 CG PHE A 16 8.427 2.338 36.149 1.00 0.00 C ATOM 1037 CD1 PHE A 16 9.136 3.331 36.833 1.00 0.00 C ATOM 1038 CD2 PHE A 16 7.284 1.769 36.725 1.00 0.00 C ATOM 1039 CE1 PHE A 16 8.706 3.755 38.096 1.00 0.00 C ATOM 1040 CE2 PHE A 16 6.854 2.193 37.987 1.00 0.00 C ATOM 1041 CZ PHE A 16 7.564 3.185 38.673 1.00 0.00 C ATOM 0 H PHE A 16 6.268 3.480 33.976 1.00 0.00 H new ATOM 0 HA PHE A 16 8.481 3.841 33.928 1.00 0.00 H new ATOM 0 HB2 PHE A 16 8.599 0.852 34.614 1.00 0.00 H new ATOM 0 HB3 PHE A 16 9.978 1.927 34.728 1.00 0.00 H new ATOM 0 HD1 PHE A 16 10.016 3.771 36.387 1.00 0.00 H new ATOM 0 HD2 PHE A 16 6.735 1.004 36.196 1.00 0.00 H new ATOM 0 HE1 PHE A 16 9.254 4.521 38.625 1.00 0.00 H new ATOM 0 HE2 PHE A 16 5.973 1.754 38.432 1.00 0.00 H new ATOM 0 HZ PHE A 16 7.231 3.511 39.647 1.00 0.00 H new ATOM 1051 N THR A 17 8.131 2.183 31.348 1.00 0.00 N ATOM 1052 CA THR A 17 8.758 1.857 30.033 1.00 0.00 C ATOM 1053 C THR A 17 9.437 3.107 29.459 1.00 0.00 C ATOM 1054 O THR A 17 8.864 4.178 29.435 1.00 0.00 O ATOM 1055 CB THR A 17 7.677 1.368 29.061 1.00 0.00 C ATOM 1056 OG1 THR A 17 8.300 0.776 27.930 1.00 0.00 O ATOM 1057 CG2 THR A 17 6.808 2.545 28.601 1.00 0.00 C ATOM 0 H THR A 17 7.112 2.158 31.371 1.00 0.00 H new ATOM 0 HA THR A 17 9.505 1.075 30.172 1.00 0.00 H new ATOM 0 HB THR A 17 7.047 0.636 29.566 1.00 0.00 H new ATOM 0 HG1 THR A 17 7.613 0.460 27.306 1.00 0.00 H new ATOM 0 HG21 THR A 17 6.044 2.186 27.911 1.00 0.00 H new ATOM 0 HG22 THR A 17 6.329 3.004 29.466 1.00 0.00 H new ATOM 0 HG23 THR A 17 7.432 3.284 28.098 1.00 0.00 H new ATOM 1065 N GLN A 18 10.647 2.968 28.980 1.00 0.00 N ATOM 1066 CA GLN A 18 11.367 4.137 28.387 1.00 0.00 C ATOM 1067 C GLN A 18 11.289 4.069 26.860 1.00 0.00 C ATOM 1068 O GLN A 18 11.774 4.943 26.168 1.00 0.00 O ATOM 1069 CB GLN A 18 12.836 4.114 28.820 1.00 0.00 C ATOM 1070 CG GLN A 18 13.484 2.796 28.387 1.00 0.00 C ATOM 1071 CD GLN A 18 14.929 2.750 28.889 1.00 0.00 C ATOM 1072 OE1 GLN A 18 15.207 3.121 30.012 1.00 0.00 O ATOM 1073 NE2 GLN A 18 15.866 2.307 28.096 1.00 0.00 N ATOM 0 H GLN A 18 11.170 2.092 28.974 1.00 0.00 H new ATOM 0 HA GLN A 18 10.900 5.058 28.736 1.00 0.00 H new ATOM 0 HB2 GLN A 18 13.369 4.955 28.376 1.00 0.00 H new ATOM 0 HB3 GLN A 18 12.908 4.227 29.902 1.00 0.00 H new ATOM 0 HG2 GLN A 18 12.921 1.953 28.788 1.00 0.00 H new ATOM 0 HG3 GLN A 18 13.462 2.707 27.301 1.00 0.00 H new ATOM 0 HE21 GLN A 18 15.631 1.996 27.153 1.00 0.00 H new ATOM 0 HE22 GLN A 18 16.833 2.272 28.419 1.00 0.00 H new ATOM 1082 N THR A 19 10.684 3.037 26.327 1.00 0.00 N ATOM 1083 CA THR A 19 10.574 2.902 24.840 1.00 0.00 C ATOM 1084 C THR A 19 9.145 3.224 24.391 1.00 0.00 C ATOM 1085 O THR A 19 8.201 2.560 24.773 1.00 0.00 O ATOM 1086 CB THR A 19 10.913 1.462 24.446 1.00 0.00 C ATOM 1087 OG1 THR A 19 12.259 1.179 24.804 1.00 0.00 O ATOM 1088 CG2 THR A 19 10.739 1.287 22.936 1.00 0.00 C ATOM 0 H THR A 19 10.259 2.278 26.860 1.00 0.00 H new ATOM 0 HA THR A 19 11.265 3.595 24.360 1.00 0.00 H new ATOM 0 HB THR A 19 10.245 0.777 24.968 1.00 0.00 H new ATOM 0 HG1 THR A 19 12.477 0.257 24.554 1.00 0.00 H new ATOM 0 HG21 THR A 19 10.981 0.261 22.658 1.00 0.00 H new ATOM 0 HG22 THR A 19 9.707 1.503 22.661 1.00 0.00 H new ATOM 0 HG23 THR A 19 11.405 1.972 22.411 1.00 0.00 H new ATOM 1096 N THR A 20 8.975 4.232 23.576 1.00 0.00 N ATOM 1097 CA THR A 20 7.601 4.578 23.105 1.00 0.00 C ATOM 1098 C THR A 20 7.674 5.530 21.900 1.00 0.00 C ATOM 1099 O THR A 20 8.544 6.377 21.842 1.00 0.00 O ATOM 1100 CB THR A 20 6.847 5.269 24.241 1.00 0.00 C ATOM 1101 OG1 THR A 20 5.503 5.504 23.843 1.00 0.00 O ATOM 1102 CG2 THR A 20 7.523 6.601 24.571 1.00 0.00 C ATOM 0 H THR A 20 9.722 4.827 23.218 1.00 0.00 H new ATOM 0 HA THR A 20 7.085 3.665 22.806 1.00 0.00 H new ATOM 0 HB THR A 20 6.858 4.630 25.124 1.00 0.00 H new ATOM 0 HG1 THR A 20 5.305 6.462 23.909 1.00 0.00 H new ATOM 0 HG21 THR A 20 6.984 7.092 25.381 1.00 0.00 H new ATOM 0 HG22 THR A 20 8.553 6.420 24.878 1.00 0.00 H new ATOM 0 HG23 THR A 20 7.515 7.242 23.689 1.00 0.00 H new ATOM 1110 N PRO A 21 6.762 5.429 20.957 1.00 0.00 N ATOM 1111 CA PRO A 21 6.740 6.339 19.775 1.00 0.00 C ATOM 1112 C PRO A 21 6.109 7.696 20.116 1.00 0.00 C ATOM 1113 O PRO A 21 6.244 8.656 19.384 1.00 0.00 O ATOM 1114 CB PRO A 21 5.873 5.580 18.768 1.00 0.00 C ATOM 1115 CG PRO A 21 4.898 4.833 19.616 1.00 0.00 C ATOM 1116 CD PRO A 21 5.662 4.443 20.888 1.00 0.00 C ATOM 0 HA PRO A 21 7.739 6.569 19.405 1.00 0.00 H new ATOM 0 HB2 PRO A 21 5.366 6.262 18.085 1.00 0.00 H new ATOM 0 HB3 PRO A 21 6.471 4.903 18.158 1.00 0.00 H new ATOM 0 HG2 PRO A 21 4.033 5.452 19.854 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.525 3.950 19.097 1.00 0.00 H new ATOM 0 HD2 PRO A 21 5.023 4.494 21.770 1.00 0.00 H new ATOM 0 HD3 PRO A 21 6.042 3.423 20.829 1.00 0.00 H new ATOM 1124 N LEU A 22 5.404 7.778 21.216 1.00 0.00 N ATOM 1125 CA LEU A 22 4.752 9.070 21.588 1.00 0.00 C ATOM 1126 C LEU A 22 4.568 9.157 23.105 1.00 0.00 C ATOM 1127 O LEU A 22 4.032 8.272 23.741 1.00 0.00 O ATOM 1128 CB LEU A 22 3.394 9.162 20.884 1.00 0.00 C ATOM 1129 CG LEU A 22 2.576 10.352 21.408 1.00 0.00 C ATOM 1130 CD1 LEU A 22 3.361 11.655 21.238 1.00 0.00 C ATOM 1131 CD2 LEU A 22 1.278 10.450 20.606 1.00 0.00 C ATOM 0 H LEU A 22 5.252 7.010 21.870 1.00 0.00 H new ATOM 0 HA LEU A 22 5.385 9.900 21.274 1.00 0.00 H new ATOM 0 HB2 LEU A 22 3.545 9.266 19.810 1.00 0.00 H new ATOM 0 HB3 LEU A 22 2.837 8.238 21.040 1.00 0.00 H new ATOM 0 HG LEU A 22 2.363 10.200 22.466 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.768 12.489 21.614 1.00 0.00 H new ATOM 0 HD12 LEU A 22 4.295 11.593 21.797 1.00 0.00 H new ATOM 0 HD13 LEU A 22 3.580 11.813 20.182 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.689 11.292 20.969 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.512 10.599 19.552 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.707 9.529 20.724 1.00 0.00 H new ATOM 1143 N TRP A 23 5.016 10.245 23.668 1.00 0.00 N ATOM 1144 CA TRP A 23 4.890 10.459 25.141 1.00 0.00 C ATOM 1145 C TRP A 23 3.552 11.140 25.454 1.00 0.00 C ATOM 1146 O TRP A 23 3.224 12.172 24.903 1.00 0.00 O ATOM 1147 CB TRP A 23 6.048 11.340 25.625 1.00 0.00 C ATOM 1148 CG TRP A 23 7.289 10.512 25.738 1.00 0.00 C ATOM 1149 CD1 TRP A 23 8.335 10.546 24.879 1.00 0.00 C ATOM 1150 CD2 TRP A 23 7.620 9.518 26.748 1.00 0.00 C ATOM 1151 NE1 TRP A 23 9.287 9.636 25.304 1.00 0.00 N ATOM 1152 CE2 TRP A 23 8.894 8.979 26.451 1.00 0.00 C ATOM 1153 CE3 TRP A 23 6.945 9.038 27.884 1.00 0.00 C ATOM 1154 CZ2 TRP A 23 9.476 7.995 27.256 1.00 0.00 C ATOM 1155 CZ3 TRP A 23 7.526 8.051 28.695 1.00 0.00 C ATOM 1156 CH2 TRP A 23 8.789 7.530 28.381 1.00 0.00 C ATOM 0 H TRP A 23 5.471 11.007 23.164 1.00 0.00 H new ATOM 0 HA TRP A 23 4.926 9.498 25.653 1.00 0.00 H new ATOM 0 HB2 TRP A 23 6.209 12.163 24.929 1.00 0.00 H new ATOM 0 HB3 TRP A 23 5.804 11.783 26.591 1.00 0.00 H new ATOM 0 HD1 TRP A 23 8.413 11.178 24.007 1.00 0.00 H new ATOM 0 HE1 TRP A 23 10.173 9.471 24.826 1.00 0.00 H new ATOM 0 HE3 TRP A 23 5.971 9.432 28.135 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 10.449 7.597 27.010 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 6.997 7.691 29.565 1.00 0.00 H new ATOM 0 HH2 TRP A 23 9.231 6.770 29.008 1.00 0.00 H new ATOM 1167 N ARG A 24 2.776 10.555 26.330 1.00 0.00 N ATOM 1168 CA ARG A 24 1.444 11.130 26.696 1.00 0.00 C ATOM 1169 C ARG A 24 1.525 11.701 28.115 1.00 0.00 C ATOM 1170 O ARG A 24 2.526 11.559 28.789 1.00 0.00 O ATOM 1171 CB ARG A 24 0.398 10.010 26.647 1.00 0.00 C ATOM 1172 CG ARG A 24 0.327 9.405 25.237 1.00 0.00 C ATOM 1173 CD ARG A 24 -0.519 10.287 24.313 1.00 0.00 C ATOM 1174 NE ARG A 24 -0.607 9.643 22.972 1.00 0.00 N ATOM 1175 CZ ARG A 24 -1.513 10.028 22.115 1.00 0.00 C ATOM 1176 NH1 ARG A 24 -2.399 10.923 22.458 1.00 0.00 N ATOM 1177 NH2 ARG A 24 -1.533 9.502 20.919 1.00 0.00 N ATOM 0 H ARG A 24 3.012 9.689 26.815 1.00 0.00 H new ATOM 0 HA ARG A 24 1.165 11.923 26.002 1.00 0.00 H new ATOM 0 HB2 ARG A 24 0.652 9.235 27.370 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -0.578 10.403 26.931 1.00 0.00 H new ATOM 0 HG2 ARG A 24 1.332 9.301 24.829 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -0.102 8.404 25.286 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -1.516 10.422 24.732 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -0.073 11.278 24.226 1.00 0.00 H new ATOM 0 HE ARG A 24 0.044 8.898 22.723 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -2.384 11.322 23.397 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -3.107 11.223 21.788 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -0.844 8.796 20.661 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -2.238 9.798 20.244 1.00 0.00 H new ATOM 1191 N ARG A 25 0.485 12.353 28.575 1.00 0.00 N ATOM 1192 CA ARG A 25 0.511 12.939 29.952 1.00 0.00 C ATOM 1193 C ARG A 25 -0.833 12.722 30.651 1.00 0.00 C ATOM 1194 O ARG A 25 -1.875 12.661 30.027 1.00 0.00 O ATOM 1195 CB ARG A 25 0.789 14.441 29.865 1.00 0.00 C ATOM 1196 CG ARG A 25 2.211 14.673 29.349 1.00 0.00 C ATOM 1197 CD ARG A 25 2.488 16.175 29.263 1.00 0.00 C ATOM 1198 NE ARG A 25 3.846 16.400 28.693 1.00 0.00 N ATOM 1199 CZ ARG A 25 4.156 17.562 28.187 1.00 0.00 C ATOM 1200 NH1 ARG A 25 3.280 18.528 28.177 1.00 0.00 N ATOM 1201 NH2 ARG A 25 5.344 17.756 27.687 1.00 0.00 N ATOM 0 H ARG A 25 -0.380 12.505 28.057 1.00 0.00 H new ATOM 0 HA ARG A 25 1.297 12.446 30.524 1.00 0.00 H new ATOM 0 HB2 ARG A 25 0.068 14.916 29.200 1.00 0.00 H new ATOM 0 HB3 ARG A 25 0.668 14.900 30.846 1.00 0.00 H new ATOM 0 HG2 ARG A 25 2.932 14.198 30.014 1.00 0.00 H new ATOM 0 HG3 ARG A 25 2.332 14.214 28.368 1.00 0.00 H new ATOM 0 HD2 ARG A 25 1.736 16.659 28.640 1.00 0.00 H new ATOM 0 HD3 ARG A 25 2.419 16.625 30.253 1.00 0.00 H new ATOM 0 HE ARG A 25 4.533 15.646 28.698 1.00 0.00 H new ATOM 0 HH11 ARG A 25 2.349 18.376 28.566 1.00 0.00 H new ATOM 0 HH12 ARG A 25 3.526 19.435 27.781 1.00 0.00 H new ATOM 0 HH21 ARG A 25 6.029 17.000 27.692 1.00 0.00 H new ATOM 0 HH22 ARG A 25 5.589 18.664 27.291 1.00 0.00 H new ATOM 1215 N ASN A 26 -0.803 12.611 31.953 1.00 0.00 N ATOM 1216 CA ASN A 26 -2.054 12.403 32.737 1.00 0.00 C ATOM 1217 C ASN A 26 -2.640 13.780 33.098 1.00 0.00 C ATOM 1218 O ASN A 26 -1.895 14.693 33.391 1.00 0.00 O ATOM 1219 CB ASN A 26 -1.694 11.643 34.024 1.00 0.00 C ATOM 1220 CG ASN A 26 -2.938 10.970 34.610 1.00 0.00 C ATOM 1221 OD1 ASN A 26 -3.734 11.610 35.267 1.00 0.00 O ATOM 1222 ND2 ASN A 26 -3.143 9.698 34.397 1.00 0.00 N ATOM 0 H ASN A 26 0.048 12.656 32.513 1.00 0.00 H new ATOM 0 HA ASN A 26 -2.784 11.834 32.162 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -0.933 10.893 33.810 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -1.267 12.331 34.753 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -3.971 9.243 34.782 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -2.475 9.159 33.845 1.00 0.00 H new ATOM 1229 N PRO A 27 -3.946 13.958 33.090 1.00 0.00 N ATOM 1230 CA PRO A 27 -4.555 15.276 33.440 1.00 0.00 C ATOM 1231 C PRO A 27 -4.081 15.752 34.818 1.00 0.00 C ATOM 1232 O PRO A 27 -4.352 16.861 35.234 1.00 0.00 O ATOM 1233 CB PRO A 27 -6.074 15.024 33.418 1.00 0.00 C ATOM 1234 CG PRO A 27 -6.237 13.536 33.422 1.00 0.00 C ATOM 1235 CD PRO A 27 -4.984 12.967 32.757 1.00 0.00 C ATOM 0 HA PRO A 27 -4.267 16.064 32.744 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -6.558 15.473 34.285 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -6.532 15.466 32.533 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -6.343 13.159 34.439 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -7.134 13.241 32.878 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -4.736 11.979 33.144 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -5.112 12.864 31.679 1.00 0.00 H new ATOM 1243 N GLU A 28 -3.355 14.921 35.515 1.00 0.00 N ATOM 1244 CA GLU A 28 -2.830 15.308 36.854 1.00 0.00 C ATOM 1245 C GLU A 28 -1.440 15.909 36.645 1.00 0.00 C ATOM 1246 O GLU A 28 -0.759 16.296 37.574 1.00 0.00 O ATOM 1247 CB GLU A 28 -2.725 14.058 37.732 1.00 0.00 C ATOM 1248 CG GLU A 28 -4.122 13.482 37.980 1.00 0.00 C ATOM 1249 CD GLU A 28 -4.002 12.192 38.796 1.00 0.00 C ATOM 1250 OE1 GLU A 28 -2.884 11.768 39.034 1.00 0.00 O ATOM 1251 OE2 GLU A 28 -5.030 11.649 39.165 1.00 0.00 O ATOM 0 H GLU A 28 -3.101 13.981 35.210 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.489 16.027 37.341 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -2.095 13.313 37.246 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -2.250 14.307 38.681 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.737 14.207 38.513 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -4.618 13.280 37.031 1.00 0.00 H new ATOM 1258 N GLY A 29 -1.030 15.982 35.408 1.00 0.00 N ATOM 1259 CA GLY A 29 0.304 16.553 35.070 1.00 0.00 C ATOM 1260 C GLY A 29 1.394 15.479 35.150 1.00 0.00 C ATOM 1261 O GLY A 29 2.564 15.773 35.018 1.00 0.00 O ATOM 0 H GLY A 29 -1.573 15.665 34.605 1.00 0.00 H new ATOM 0 HA2 GLY A 29 0.279 16.977 34.066 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.540 17.368 35.755 1.00 0.00 H new ATOM 1265 N GLN A 30 1.035 14.236 35.349 1.00 0.00 N ATOM 1266 CA GLN A 30 2.075 13.166 35.413 1.00 0.00 C ATOM 1267 C GLN A 30 2.353 12.655 33.987 1.00 0.00 C ATOM 1268 O GLN A 30 1.442 12.541 33.191 1.00 0.00 O ATOM 1269 CB GLN A 30 1.565 12.016 36.285 1.00 0.00 C ATOM 1270 CG GLN A 30 1.355 12.523 37.715 1.00 0.00 C ATOM 1271 CD GLN A 30 0.974 11.352 38.623 1.00 0.00 C ATOM 1272 OE1 GLN A 30 -0.170 11.211 39.006 1.00 0.00 O ATOM 1273 NE2 GLN A 30 1.895 10.504 38.992 1.00 0.00 N ATOM 0 H GLN A 30 0.073 13.918 35.469 1.00 0.00 H new ATOM 0 HA GLN A 30 2.994 13.563 35.845 1.00 0.00 H new ATOM 0 HB2 GLN A 30 0.629 11.627 35.883 1.00 0.00 H new ATOM 0 HB3 GLN A 30 2.281 11.194 36.279 1.00 0.00 H new ATOM 0 HG2 GLN A 30 2.265 12.999 38.080 1.00 0.00 H new ATOM 0 HG3 GLN A 30 0.571 13.280 37.732 1.00 0.00 H new ATOM 0 HE21 GLN A 30 2.856 10.622 38.670 1.00 0.00 H new ATOM 0 HE22 GLN A 30 1.654 9.723 39.602 1.00 0.00 H new ATOM 1282 N PRO A 31 3.586 12.355 33.647 1.00 0.00 N ATOM 1283 CA PRO A 31 3.933 11.862 32.279 1.00 0.00 C ATOM 1284 C PRO A 31 3.580 10.384 32.069 1.00 0.00 C ATOM 1285 O PRO A 31 3.767 9.562 32.943 1.00 0.00 O ATOM 1286 CB PRO A 31 5.447 12.070 32.213 1.00 0.00 C ATOM 1287 CG PRO A 31 5.900 11.867 33.619 1.00 0.00 C ATOM 1288 CD PRO A 31 4.787 12.444 34.500 1.00 0.00 C ATOM 0 HA PRO A 31 3.376 12.387 31.503 1.00 0.00 H new ATOM 0 HB2 PRO A 31 5.919 11.359 31.535 1.00 0.00 H new ATOM 0 HB3 PRO A 31 5.698 13.068 31.853 1.00 0.00 H new ATOM 0 HG2 PRO A 31 6.058 10.810 33.831 1.00 0.00 H new ATOM 0 HG3 PRO A 31 6.847 12.374 33.802 1.00 0.00 H new ATOM 0 HD2 PRO A 31 4.668 11.873 35.421 1.00 0.00 H new ATOM 0 HD3 PRO A 31 4.998 13.474 34.789 1.00 0.00 H new ATOM 1296 N LEU A 32 3.099 10.048 30.900 1.00 0.00 N ATOM 1297 CA LEU A 32 2.745 8.629 30.589 1.00 0.00 C ATOM 1298 C LEU A 32 3.386 8.275 29.251 1.00 0.00 C ATOM 1299 O LEU A 32 3.688 9.148 28.463 1.00 0.00 O ATOM 1300 CB LEU A 32 1.227 8.489 30.454 1.00 0.00 C ATOM 1301 CG LEU A 32 0.519 8.903 31.742 1.00 0.00 C ATOM 1302 CD1 LEU A 32 -0.990 8.811 31.517 1.00 0.00 C ATOM 1303 CD2 LEU A 32 0.913 7.976 32.897 1.00 0.00 C ATOM 0 H LEU A 32 2.934 10.705 30.137 1.00 0.00 H new ATOM 0 HA LEU A 32 3.097 7.972 31.385 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.874 9.106 29.627 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.974 7.457 30.212 1.00 0.00 H new ATOM 0 HG LEU A 32 0.809 9.922 32.000 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.512 9.104 32.428 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.278 9.477 30.704 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.258 7.786 31.259 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.398 8.288 33.806 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.631 6.952 32.654 1.00 0.00 H new ATOM 0 HD23 LEU A 32 1.990 8.029 33.054 1.00 0.00 H new ATOM 1315 N CYS A 33 3.566 7.016 28.951 1.00 0.00 N ATOM 1316 CA CYS A 33 4.155 6.665 27.631 1.00 0.00 C ATOM 1317 C CYS A 33 3.040 6.689 26.584 1.00 0.00 C ATOM 1318 O CYS A 33 2.145 7.509 26.645 1.00 0.00 O ATOM 1319 CB CYS A 33 4.811 5.281 27.693 1.00 0.00 C ATOM 1320 SG CYS A 33 3.566 4.002 27.975 1.00 0.00 S ATOM 0 H CYS A 33 3.334 6.227 29.555 1.00 0.00 H new ATOM 0 HA CYS A 33 4.927 7.386 27.361 1.00 0.00 H new ATOM 0 HB2 CYS A 33 5.341 5.081 26.762 1.00 0.00 H new ATOM 0 HB3 CYS A 33 5.551 5.259 28.493 1.00 0.00 H new ATOM 0 HG CYS A 33 3.196 3.498 26.835 1.00 0.00 H new ATOM 1325 N ASN A 34 3.084 5.814 25.621 1.00 0.00 N ATOM 1326 CA ASN A 34 2.026 5.812 24.570 1.00 0.00 C ATOM 1327 C ASN A 34 0.747 5.108 25.049 1.00 0.00 C ATOM 1328 O ASN A 34 -0.297 5.717 25.172 1.00 0.00 O ATOM 1329 CB ASN A 34 2.559 5.089 23.332 1.00 0.00 C ATOM 1330 CG ASN A 34 3.153 3.740 23.746 1.00 0.00 C ATOM 1331 OD1 ASN A 34 3.393 3.502 24.913 1.00 0.00 O ATOM 1332 ND2 ASN A 34 3.404 2.841 22.833 1.00 0.00 N ATOM 0 H ASN A 34 3.805 5.100 25.514 1.00 0.00 H new ATOM 0 HA ASN A 34 1.775 6.847 24.339 1.00 0.00 H new ATOM 0 HB2 ASN A 34 1.755 4.939 22.611 1.00 0.00 H new ATOM 0 HB3 ASN A 34 3.318 5.698 22.841 1.00 0.00 H new ATOM 0 HD21 ASN A 34 3.801 1.940 23.100 1.00 0.00 H new ATOM 0 HD22 ASN A 34 3.203 3.040 21.853 1.00 0.00 H new ATOM 1339 N ALA A 35 0.806 3.820 25.254 1.00 0.00 N ATOM 1340 CA ALA A 35 -0.412 3.049 25.651 1.00 0.00 C ATOM 1341 C ALA A 35 -0.997 3.471 27.005 1.00 0.00 C ATOM 1342 O ALA A 35 -2.196 3.519 27.158 1.00 0.00 O ATOM 1343 CB ALA A 35 -0.058 1.565 25.715 1.00 0.00 C ATOM 0 H ALA A 35 1.654 3.261 25.163 1.00 0.00 H new ATOM 0 HA ALA A 35 -1.172 3.256 24.898 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.940 0.993 26.004 1.00 0.00 H new ATOM 0 HB2 ALA A 35 0.287 1.231 24.737 1.00 0.00 H new ATOM 0 HB3 ALA A 35 0.732 1.411 26.450 1.00 0.00 H new ATOM 1349 N CYS A 36 -0.198 3.752 27.998 1.00 0.00 N ATOM 1350 CA CYS A 36 -0.787 4.129 29.321 1.00 0.00 C ATOM 1351 C CYS A 36 -1.744 5.309 29.145 1.00 0.00 C ATOM 1352 O CYS A 36 -2.899 5.250 29.521 1.00 0.00 O ATOM 1353 CB CYS A 36 0.329 4.541 30.278 1.00 0.00 C ATOM 1354 SG CYS A 36 1.301 3.100 30.779 1.00 0.00 S ATOM 0 H CYS A 36 0.821 3.739 27.956 1.00 0.00 H new ATOM 0 HA CYS A 36 -1.328 3.273 29.725 1.00 0.00 H new ATOM 0 HB2 CYS A 36 0.976 5.274 29.796 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -0.098 5.022 31.158 1.00 0.00 H new ATOM 0 HG CYS A 36 2.331 2.978 29.996 1.00 0.00 H new ATOM 1359 N GLY A 37 -1.271 6.377 28.570 1.00 0.00 N ATOM 1360 CA GLY A 37 -2.153 7.559 28.363 1.00 0.00 C ATOM 1361 C GLY A 37 -3.389 7.136 27.564 1.00 0.00 C ATOM 1362 O GLY A 37 -4.507 7.453 27.918 1.00 0.00 O ATOM 0 H GLY A 37 -0.314 6.484 28.235 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -2.453 7.976 29.324 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.612 8.342 27.831 1.00 0.00 H new ATOM 1366 N LEU A 38 -3.202 6.410 26.496 1.00 0.00 N ATOM 1367 CA LEU A 38 -4.363 5.951 25.682 1.00 0.00 C ATOM 1368 C LEU A 38 -5.227 4.983 26.500 1.00 0.00 C ATOM 1369 O LEU A 38 -6.439 5.003 26.432 1.00 0.00 O ATOM 1370 CB LEU A 38 -3.847 5.228 24.433 1.00 0.00 C ATOM 1371 CG LEU A 38 -3.024 6.191 23.563 1.00 0.00 C ATOM 1372 CD1 LEU A 38 -2.169 5.387 22.580 1.00 0.00 C ATOM 1373 CD2 LEU A 38 -3.952 7.111 22.762 1.00 0.00 C ATOM 0 H LEU A 38 -2.289 6.113 26.150 1.00 0.00 H new ATOM 0 HA LEU A 38 -4.963 6.814 25.395 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -3.233 4.376 24.725 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.686 4.835 23.859 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.390 6.792 24.215 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.585 6.070 21.963 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -1.496 4.733 23.134 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.817 4.785 21.942 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.355 7.787 22.151 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -4.593 6.509 22.117 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -4.569 7.691 23.448 1.00 0.00 H new ATOM 1385 N PHE A 39 -4.599 4.123 27.253 1.00 0.00 N ATOM 1386 CA PHE A 39 -5.344 3.122 28.073 1.00 0.00 C ATOM 1387 C PHE A 39 -6.117 3.787 29.222 1.00 0.00 C ATOM 1388 O PHE A 39 -7.307 3.600 29.362 1.00 0.00 O ATOM 1389 CB PHE A 39 -4.333 2.111 28.643 1.00 0.00 C ATOM 1390 CG PHE A 39 -4.902 1.415 29.860 1.00 0.00 C ATOM 1391 CD1 PHE A 39 -5.745 0.306 29.723 1.00 0.00 C ATOM 1392 CD2 PHE A 39 -4.592 1.907 31.134 1.00 0.00 C ATOM 1393 CE1 PHE A 39 -6.278 -0.308 30.863 1.00 0.00 C ATOM 1394 CE2 PHE A 39 -5.121 1.291 32.271 1.00 0.00 C ATOM 1395 CZ PHE A 39 -5.964 0.185 32.137 1.00 0.00 C ATOM 0 H PHE A 39 -3.584 4.070 27.337 1.00 0.00 H new ATOM 0 HA PHE A 39 -6.074 2.622 27.436 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -4.080 1.374 27.881 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -3.409 2.624 28.910 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -5.984 -0.075 28.741 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -3.943 2.764 31.238 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -6.931 -1.162 30.761 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -4.878 1.670 33.253 1.00 0.00 H new ATOM 0 HZ PHE A 39 -6.374 -0.290 33.016 1.00 0.00 H new ATOM 1405 N LEU A 40 -5.447 4.511 30.072 1.00 0.00 N ATOM 1406 CA LEU A 40 -6.150 5.115 31.240 1.00 0.00 C ATOM 1407 C LEU A 40 -7.261 6.052 30.757 1.00 0.00 C ATOM 1408 O LEU A 40 -8.389 5.964 31.202 1.00 0.00 O ATOM 1409 CB LEU A 40 -5.123 5.893 32.073 1.00 0.00 C ATOM 1410 CG LEU A 40 -5.712 6.302 33.432 1.00 0.00 C ATOM 1411 CD1 LEU A 40 -5.814 5.083 34.367 1.00 0.00 C ATOM 1412 CD2 LEU A 40 -4.800 7.356 34.071 1.00 0.00 C ATOM 0 H LEU A 40 -4.449 4.711 30.011 1.00 0.00 H new ATOM 0 HA LEU A 40 -6.605 4.333 31.849 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.235 5.280 32.227 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.806 6.782 31.528 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.712 6.708 33.279 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.233 5.393 35.324 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.460 4.330 33.915 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.821 4.662 34.525 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -5.209 7.654 35.037 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.804 6.937 34.212 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.738 8.227 33.419 1.00 0.00 H new ATOM 1424 N LYS A 41 -6.963 6.946 29.857 1.00 0.00 N ATOM 1425 CA LYS A 41 -8.014 7.883 29.358 1.00 0.00 C ATOM 1426 C LYS A 41 -9.166 7.119 28.688 1.00 0.00 C ATOM 1427 O LYS A 41 -10.324 7.361 28.964 1.00 0.00 O ATOM 1428 CB LYS A 41 -7.382 8.835 28.339 1.00 0.00 C ATOM 1429 CG LYS A 41 -8.375 9.944 27.971 1.00 0.00 C ATOM 1430 CD LYS A 41 -7.897 10.675 26.714 1.00 0.00 C ATOM 1431 CE LYS A 41 -6.469 11.187 26.917 1.00 0.00 C ATOM 1432 NZ LYS A 41 -5.507 10.062 26.748 1.00 0.00 N ATOM 0 H LYS A 41 -6.039 7.071 29.444 1.00 0.00 H new ATOM 0 HA LYS A 41 -8.418 8.438 30.205 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -6.473 9.272 28.752 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -7.092 8.283 27.445 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -9.363 9.517 27.800 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -8.470 10.648 28.798 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -7.933 10.003 25.857 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -8.563 11.509 26.493 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -6.250 11.978 26.199 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -6.365 11.621 27.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -5.140 9.777 27.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -5.991 9.255 26.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -4.718 10.368 26.143 1.00 0.00 H new ATOM 1446 N LEU A 42 -8.860 6.229 27.780 1.00 0.00 N ATOM 1447 CA LEU A 42 -9.940 5.485 27.063 1.00 0.00 C ATOM 1448 C LEU A 42 -10.650 4.497 27.996 1.00 0.00 C ATOM 1449 O LEU A 42 -11.848 4.314 27.908 1.00 0.00 O ATOM 1450 CB LEU A 42 -9.349 4.725 25.867 1.00 0.00 C ATOM 1451 CG LEU A 42 -8.780 5.712 24.834 1.00 0.00 C ATOM 1452 CD1 LEU A 42 -7.990 4.937 23.774 1.00 0.00 C ATOM 1453 CD2 LEU A 42 -9.914 6.497 24.151 1.00 0.00 C ATOM 0 H LEU A 42 -7.909 5.985 27.503 1.00 0.00 H new ATOM 0 HA LEU A 42 -10.671 6.213 26.712 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -8.562 4.052 26.208 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -10.119 4.107 25.404 1.00 0.00 H new ATOM 0 HG LEU A 42 -8.126 6.417 25.347 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -7.585 5.634 23.040 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -7.172 4.398 24.252 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -8.650 4.227 23.275 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -9.490 7.190 23.424 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -10.583 5.802 23.643 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -10.473 7.056 24.902 1.00 0.00 H new ATOM 1465 N HIS A 43 -9.937 3.835 28.868 1.00 0.00 N ATOM 1466 CA HIS A 43 -10.605 2.843 29.763 1.00 0.00 C ATOM 1467 C HIS A 43 -11.210 3.535 30.987 1.00 0.00 C ATOM 1468 O HIS A 43 -12.345 3.289 31.343 1.00 0.00 O ATOM 1469 CB HIS A 43 -9.577 1.812 30.225 1.00 0.00 C ATOM 1470 CG HIS A 43 -9.143 0.993 29.043 1.00 0.00 C ATOM 1471 ND1 HIS A 43 -8.163 1.424 28.162 1.00 0.00 N ATOM 1472 CD2 HIS A 43 -9.566 -0.223 28.567 1.00 0.00 C ATOM 1473 CE1 HIS A 43 -8.033 0.484 27.209 1.00 0.00 C ATOM 1474 NE2 HIS A 43 -8.864 -0.543 27.406 1.00 0.00 N ATOM 0 H HIS A 43 -8.931 3.936 29.000 1.00 0.00 H new ATOM 0 HA HIS A 43 -11.406 2.355 29.207 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -8.718 2.311 30.673 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -10.008 1.168 30.992 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -7.637 2.295 28.225 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -10.327 -0.839 29.023 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -7.340 0.551 26.384 1.00 0.00 H new ATOM 1482 N GLY A 44 -10.482 4.405 31.629 1.00 0.00 N ATOM 1483 CA GLY A 44 -11.051 5.108 32.815 1.00 0.00 C ATOM 1484 C GLY A 44 -11.097 4.170 34.027 1.00 0.00 C ATOM 1485 O GLY A 44 -11.550 4.550 35.088 1.00 0.00 O ATOM 0 H GLY A 44 -9.524 4.659 31.387 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -10.447 5.985 33.049 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -12.055 5.465 32.586 1.00 0.00 H new ATOM 1489 N VAL A 45 -10.625 2.954 33.886 1.00 0.00 N ATOM 1490 CA VAL A 45 -10.634 1.996 35.038 1.00 0.00 C ATOM 1491 C VAL A 45 -9.296 1.258 35.107 1.00 0.00 C ATOM 1492 O VAL A 45 -8.709 0.906 34.102 1.00 0.00 O ATOM 1493 CB VAL A 45 -11.759 0.968 34.878 1.00 0.00 C ATOM 1494 CG1 VAL A 45 -13.119 1.652 35.029 1.00 0.00 C ATOM 1495 CG2 VAL A 45 -11.670 0.309 33.501 1.00 0.00 C ATOM 0 H VAL A 45 -10.233 2.583 33.021 1.00 0.00 H new ATOM 0 HA VAL A 45 -10.796 2.564 35.954 1.00 0.00 H new ATOM 0 HB VAL A 45 -11.652 0.207 35.651 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -13.912 0.914 34.914 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -13.189 2.109 36.016 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -13.226 2.422 34.265 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -12.473 -0.421 33.394 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -11.766 1.070 32.727 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -10.708 -0.193 33.399 1.00 0.00 H new ATOM 1505 N VAL A 46 -8.813 1.032 36.298 1.00 0.00 N ATOM 1506 CA VAL A 46 -7.513 0.323 36.472 1.00 0.00 C ATOM 1507 C VAL A 46 -7.592 -1.079 35.866 1.00 0.00 C ATOM 1508 O VAL A 46 -8.608 -1.742 35.936 1.00 0.00 O ATOM 1509 CB VAL A 46 -7.195 0.215 37.965 1.00 0.00 C ATOM 1510 CG1 VAL A 46 -6.857 1.601 38.519 1.00 0.00 C ATOM 1511 CG2 VAL A 46 -8.410 -0.346 38.709 1.00 0.00 C ATOM 0 H VAL A 46 -9.268 1.311 37.167 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.728 0.884 35.965 1.00 0.00 H new ATOM 0 HB VAL A 46 -6.343 -0.451 38.104 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -6.631 1.523 39.582 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.991 2.002 37.992 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -7.708 2.267 38.377 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -8.182 -0.422 39.772 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -9.262 0.319 38.567 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -8.652 -1.334 38.318 1.00 0.00 H new ATOM 1521 N ARG A 47 -6.521 -1.549 35.286 1.00 0.00 N ATOM 1522 CA ARG A 47 -6.528 -2.919 34.696 1.00 0.00 C ATOM 1523 C ARG A 47 -5.083 -3.445 34.736 1.00 0.00 C ATOM 1524 O ARG A 47 -4.166 -2.701 34.450 1.00 0.00 O ATOM 1525 CB ARG A 47 -7.037 -2.835 33.246 1.00 0.00 C ATOM 1526 CG ARG A 47 -7.572 -4.194 32.781 1.00 0.00 C ATOM 1527 CD ARG A 47 -8.405 -4.014 31.510 1.00 0.00 C ATOM 1528 NE ARG A 47 -8.972 -5.331 31.106 1.00 0.00 N ATOM 1529 CZ ARG A 47 -9.952 -5.394 30.246 1.00 0.00 C ATOM 1530 NH1 ARG A 47 -10.514 -4.303 29.802 1.00 0.00 N ATOM 1531 NH2 ARG A 47 -10.386 -6.560 29.853 1.00 0.00 N ATOM 0 H ARG A 47 -5.640 -1.043 35.195 1.00 0.00 H new ATOM 0 HA ARG A 47 -7.182 -3.592 35.251 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -7.824 -2.085 33.174 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -6.229 -2.513 32.590 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -6.743 -4.876 32.590 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -8.181 -4.644 33.565 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -9.207 -3.297 31.685 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -7.786 -3.610 30.709 1.00 0.00 H new ATOM 0 HE ARG A 47 -8.592 -6.190 31.504 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -10.188 -3.393 30.127 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -11.279 -4.361 29.130 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -9.960 -7.412 30.217 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -11.151 -6.619 29.181 1.00 0.00 H new ATOM 1545 N PRO A 48 -4.859 -4.691 35.100 1.00 0.00 N ATOM 1546 CA PRO A 48 -3.490 -5.268 35.185 1.00 0.00 C ATOM 1547 C PRO A 48 -2.513 -4.644 34.185 1.00 0.00 C ATOM 1548 O PRO A 48 -2.507 -4.968 33.014 1.00 0.00 O ATOM 1549 CB PRO A 48 -3.736 -6.742 34.883 1.00 0.00 C ATOM 1550 CG PRO A 48 -5.071 -7.027 35.504 1.00 0.00 C ATOM 1551 CD PRO A 48 -5.864 -5.706 35.473 1.00 0.00 C ATOM 0 HA PRO A 48 -3.019 -5.086 36.151 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -3.747 -6.932 33.810 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -2.956 -7.372 35.310 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -5.596 -7.807 34.952 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -4.954 -7.384 36.527 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -6.677 -5.746 34.749 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -6.311 -5.487 36.443 1.00 0.00 H new ATOM 1559 N LEU A 49 -1.678 -3.754 34.653 1.00 0.00 N ATOM 1560 CA LEU A 49 -0.689 -3.113 33.745 1.00 0.00 C ATOM 1561 C LEU A 49 0.149 -4.226 33.119 1.00 0.00 C ATOM 1562 O LEU A 49 0.923 -4.010 32.208 1.00 0.00 O ATOM 1563 CB LEU A 49 0.222 -2.165 34.532 1.00 0.00 C ATOM 1564 CG LEU A 49 -0.608 -1.081 35.234 1.00 0.00 C ATOM 1565 CD1 LEU A 49 0.339 -0.126 35.975 1.00 0.00 C ATOM 1566 CD2 LEU A 49 -1.439 -0.296 34.206 1.00 0.00 C ATOM 0 H LEU A 49 -1.640 -3.445 35.624 1.00 0.00 H new ATOM 0 HA LEU A 49 -1.203 -2.532 32.979 1.00 0.00 H new ATOM 0 HB2 LEU A 49 0.793 -2.729 35.270 1.00 0.00 H new ATOM 0 HB3 LEU A 49 0.942 -1.701 33.858 1.00 0.00 H new ATOM 0 HG LEU A 49 -1.288 -1.551 35.944 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.243 0.647 36.476 1.00 0.00 H new ATOM 0 HD12 LEU A 49 0.914 -0.684 36.714 1.00 0.00 H new ATOM 0 HD13 LEU A 49 1.020 0.338 35.261 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -2.023 0.469 34.718 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.773 0.178 33.485 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -2.112 -0.977 33.685 1.00 0.00 H new ATOM 1578 N SER A 50 -0.013 -5.424 33.614 1.00 0.00 N ATOM 1579 CA SER A 50 0.755 -6.576 33.070 1.00 0.00 C ATOM 1580 C SER A 50 0.424 -6.737 31.586 1.00 0.00 C ATOM 1581 O SER A 50 1.072 -7.473 30.869 1.00 0.00 O ATOM 1582 CB SER A 50 0.371 -7.848 33.829 1.00 0.00 C ATOM 1583 OG SER A 50 -0.943 -8.237 33.457 1.00 0.00 O ATOM 0 H SER A 50 -0.650 -5.653 34.377 1.00 0.00 H new ATOM 0 HA SER A 50 1.824 -6.400 33.188 1.00 0.00 H new ATOM 0 HB2 SER A 50 1.077 -8.647 33.603 1.00 0.00 H new ATOM 0 HB3 SER A 50 0.420 -7.673 34.904 1.00 0.00 H new ATOM 0 HG SER A 50 -1.192 -9.053 33.940 1.00 0.00 H new ATOM 1589 N LEU A 51 -0.567 -6.031 31.112 1.00 0.00 N ATOM 1590 CA LEU A 51 -0.915 -6.121 29.667 1.00 0.00 C ATOM 1591 C LEU A 51 0.192 -5.429 28.881 1.00 0.00 C ATOM 1592 O LEU A 51 0.492 -5.780 27.757 1.00 0.00 O ATOM 1593 CB LEU A 51 -2.244 -5.411 29.396 1.00 0.00 C ATOM 1594 CG LEU A 51 -3.402 -6.203 30.013 1.00 0.00 C ATOM 1595 CD1 LEU A 51 -4.685 -5.376 29.896 1.00 0.00 C ATOM 1596 CD2 LEU A 51 -3.579 -7.550 29.285 1.00 0.00 C ATOM 0 H LEU A 51 -1.148 -5.398 31.662 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.013 -7.165 29.371 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.219 -4.404 29.814 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -2.397 -5.307 28.322 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.184 -6.405 31.062 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -5.516 -5.930 30.332 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -4.559 -4.433 30.427 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -4.894 -5.176 28.845 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -4.405 -8.101 29.735 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -3.794 -7.369 28.232 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.663 -8.134 29.373 1.00 0.00 H new ATOM 1608 N LYS A 52 0.807 -4.449 29.480 1.00 0.00 N ATOM 1609 CA LYS A 52 1.906 -3.727 28.792 1.00 0.00 C ATOM 1610 C LYS A 52 2.933 -4.762 28.331 1.00 0.00 C ATOM 1611 O LYS A 52 3.008 -5.849 28.871 1.00 0.00 O ATOM 1612 CB LYS A 52 2.542 -2.741 29.779 1.00 0.00 C ATOM 1613 CG LYS A 52 3.647 -1.920 29.102 1.00 0.00 C ATOM 1614 CD LYS A 52 3.053 -1.047 27.985 1.00 0.00 C ATOM 1615 CE LYS A 52 3.999 0.117 27.678 1.00 0.00 C ATOM 1616 NZ LYS A 52 3.636 0.715 26.362 1.00 0.00 N ATOM 0 H LYS A 52 0.593 -4.117 30.421 1.00 0.00 H new ATOM 0 HA LYS A 52 1.536 -3.171 27.931 1.00 0.00 H new ATOM 0 HB2 LYS A 52 1.777 -2.072 30.174 1.00 0.00 H new ATOM 0 HB3 LYS A 52 2.957 -3.286 30.627 1.00 0.00 H new ATOM 0 HG2 LYS A 52 4.145 -1.290 29.839 1.00 0.00 H new ATOM 0 HG3 LYS A 52 4.404 -2.587 28.689 1.00 0.00 H new ATOM 0 HD2 LYS A 52 2.895 -1.646 27.088 1.00 0.00 H new ATOM 0 HD3 LYS A 52 2.078 -0.665 28.289 1.00 0.00 H new ATOM 0 HE2 LYS A 52 3.933 0.870 28.463 1.00 0.00 H new ATOM 0 HE3 LYS A 52 5.031 -0.234 27.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 4.473 1.169 25.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 3.293 -0.031 25.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 2.888 1.425 26.498 1.00 0.00 H new ATOM 1630 N THR A 53 3.730 -4.446 27.347 1.00 0.00 N ATOM 1631 CA THR A 53 4.753 -5.424 26.870 1.00 0.00 C ATOM 1632 C THR A 53 6.020 -4.688 26.454 1.00 0.00 C ATOM 1633 O THR A 53 5.986 -3.545 26.045 1.00 0.00 O ATOM 1634 CB THR A 53 4.207 -6.201 25.674 1.00 0.00 C ATOM 1635 OG1 THR A 53 5.285 -6.799 24.969 1.00 0.00 O ATOM 1636 CG2 THR A 53 3.445 -5.254 24.746 1.00 0.00 C ATOM 0 H THR A 53 3.718 -3.554 26.852 1.00 0.00 H new ATOM 0 HA THR A 53 4.985 -6.116 27.680 1.00 0.00 H new ATOM 0 HB THR A 53 3.528 -6.978 26.026 1.00 0.00 H new ATOM 0 HG1 THR A 53 4.937 -7.299 24.202 1.00 0.00 H new ATOM 0 HG21 THR A 53 3.057 -5.813 23.894 1.00 0.00 H new ATOM 0 HG22 THR A 53 2.616 -4.800 25.290 1.00 0.00 H new ATOM 0 HG23 THR A 53 4.117 -4.473 24.392 1.00 0.00 H new ATOM 1644 N ASP A 54 7.143 -5.340 26.563 1.00 0.00 N ATOM 1645 CA ASP A 54 8.426 -4.686 26.182 1.00 0.00 C ATOM 1646 C ASP A 54 8.645 -4.866 24.678 1.00 0.00 C ATOM 1647 O ASP A 54 9.583 -4.341 24.110 1.00 0.00 O ATOM 1648 CB ASP A 54 9.573 -5.327 26.967 1.00 0.00 C ATOM 1649 CG ASP A 54 9.455 -4.924 28.440 1.00 0.00 C ATOM 1650 OD1 ASP A 54 8.868 -3.887 28.705 1.00 0.00 O ATOM 1651 OD2 ASP A 54 9.948 -5.662 29.278 1.00 0.00 O ATOM 0 H ASP A 54 7.228 -6.299 26.900 1.00 0.00 H new ATOM 0 HA ASP A 54 8.392 -3.622 26.416 1.00 0.00 H new ATOM 0 HB2 ASP A 54 9.536 -6.412 26.869 1.00 0.00 H new ATOM 0 HB3 ASP A 54 10.532 -5.003 26.564 1.00 0.00 H new ATOM 1656 N VAL A 55 7.766 -5.589 24.028 1.00 0.00 N ATOM 1657 CA VAL A 55 7.878 -5.798 22.552 1.00 0.00 C ATOM 1658 C VAL A 55 6.706 -5.100 21.865 1.00 0.00 C ATOM 1659 O VAL A 55 5.561 -5.291 22.225 1.00 0.00 O ATOM 1660 CB VAL A 55 7.821 -7.291 22.226 1.00 0.00 C ATOM 1661 CG1 VAL A 55 7.867 -7.480 20.706 1.00 0.00 C ATOM 1662 CG2 VAL A 55 9.021 -7.996 22.862 1.00 0.00 C ATOM 0 H VAL A 55 6.966 -6.048 24.464 1.00 0.00 H new ATOM 0 HA VAL A 55 8.826 -5.389 22.202 1.00 0.00 H new ATOM 0 HB VAL A 55 6.898 -7.716 22.620 1.00 0.00 H new ATOM 0 HG11 VAL A 55 7.827 -8.543 20.470 1.00 0.00 H new ATOM 0 HG12 VAL A 55 7.015 -6.975 20.251 1.00 0.00 H new ATOM 0 HG13 VAL A 55 8.792 -7.057 20.315 1.00 0.00 H new ATOM 0 HG21 VAL A 55 8.982 -9.060 22.631 1.00 0.00 H new ATOM 0 HG22 VAL A 55 9.944 -7.572 22.466 1.00 0.00 H new ATOM 0 HG23 VAL A 55 8.993 -7.858 23.943 1.00 0.00 H new ATOM 1672 N ILE A 56 6.988 -4.289 20.881 1.00 0.00 N ATOM 1673 CA ILE A 56 5.910 -3.558 20.151 1.00 0.00 C ATOM 1674 C ILE A 56 5.946 -3.949 18.678 1.00 0.00 C ATOM 1675 O ILE A 56 6.991 -3.981 18.059 1.00 0.00 O ATOM 1676 CB ILE A 56 6.140 -2.055 20.295 1.00 0.00 C ATOM 1677 CG1 ILE A 56 5.974 -1.674 21.768 1.00 0.00 C ATOM 1678 CG2 ILE A 56 5.127 -1.290 19.435 1.00 0.00 C ATOM 1679 CD1 ILE A 56 6.437 -0.235 21.990 1.00 0.00 C ATOM 0 H ILE A 56 7.933 -4.099 20.547 1.00 0.00 H new ATOM 0 HA ILE A 56 4.936 -3.817 20.567 1.00 0.00 H new ATOM 0 HB ILE A 56 7.144 -1.797 19.959 1.00 0.00 H new ATOM 0 HG12 ILE A 56 4.930 -1.779 22.064 1.00 0.00 H new ATOM 0 HG13 ILE A 56 6.553 -2.352 22.395 1.00 0.00 H new ATOM 0 HG21 ILE A 56 5.295 -0.218 19.541 1.00 0.00 H new ATOM 0 HG22 ILE A 56 5.249 -1.575 18.390 1.00 0.00 H new ATOM 0 HG23 ILE A 56 4.116 -1.533 19.762 1.00 0.00 H new ATOM 0 HD11 ILE A 56 6.316 0.028 23.041 1.00 0.00 H new ATOM 0 HD12 ILE A 56 7.487 -0.144 21.712 1.00 0.00 H new ATOM 0 HD13 ILE A 56 5.839 0.438 21.376 1.00 0.00 H new ATOM 1691 N LYS A 57 4.810 -4.251 18.113 1.00 0.00 N ATOM 1692 CA LYS A 57 4.786 -4.642 16.679 1.00 0.00 C ATOM 1693 C LYS A 57 4.903 -3.381 15.820 1.00 0.00 C ATOM 1694 O LYS A 57 4.179 -2.422 16.002 1.00 0.00 O ATOM 1695 CB LYS A 57 3.478 -5.375 16.365 1.00 0.00 C ATOM 1696 CG LYS A 57 3.471 -5.776 14.889 1.00 0.00 C ATOM 1697 CD LYS A 57 2.333 -6.766 14.621 1.00 0.00 C ATOM 1698 CE LYS A 57 0.978 -6.128 14.949 1.00 0.00 C ATOM 1699 NZ LYS A 57 0.689 -6.294 16.402 1.00 0.00 N ATOM 0 H LYS A 57 3.903 -4.244 18.580 1.00 0.00 H new ATOM 0 HA LYS A 57 5.620 -5.309 16.462 1.00 0.00 H new ATOM 0 HB2 LYS A 57 3.382 -6.259 16.995 1.00 0.00 H new ATOM 0 HB3 LYS A 57 2.625 -4.733 16.584 1.00 0.00 H new ATOM 0 HG2 LYS A 57 3.349 -4.891 14.264 1.00 0.00 H new ATOM 0 HG3 LYS A 57 4.427 -6.227 14.621 1.00 0.00 H new ATOM 0 HD2 LYS A 57 2.352 -7.077 13.576 1.00 0.00 H new ATOM 0 HD3 LYS A 57 2.474 -7.663 15.223 1.00 0.00 H new ATOM 0 HE2 LYS A 57 0.990 -5.070 14.688 1.00 0.00 H new ATOM 0 HE3 LYS A 57 0.191 -6.594 14.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -0.248 -6.730 16.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 1.413 -6.904 16.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 0.700 -5.364 16.867 1.00 0.00 H new ATOM 1713 N LYS A 58 5.815 -3.376 14.888 1.00 0.00 N ATOM 1714 CA LYS A 58 5.994 -2.183 14.013 1.00 0.00 C ATOM 1715 C LYS A 58 5.015 -2.253 12.837 1.00 0.00 C ATOM 1716 O LYS A 58 4.893 -3.272 12.187 1.00 0.00 O ATOM 1717 CB LYS A 58 7.426 -2.173 13.471 1.00 0.00 C ATOM 1718 CG LYS A 58 8.422 -2.063 14.629 1.00 0.00 C ATOM 1719 CD LYS A 58 9.848 -2.055 14.075 1.00 0.00 C ATOM 1720 CE LYS A 58 10.854 -1.958 15.226 1.00 0.00 C ATOM 1721 NZ LYS A 58 10.557 -0.755 16.054 1.00 0.00 N ATOM 0 H LYS A 58 6.448 -4.152 14.694 1.00 0.00 H new ATOM 0 HA LYS A 58 5.804 -1.278 14.589 1.00 0.00 H new ATOM 0 HB2 LYS A 58 7.615 -3.084 12.903 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.559 -1.336 12.785 1.00 0.00 H new ATOM 0 HG2 LYS A 58 8.236 -1.152 15.198 1.00 0.00 H new ATOM 0 HG3 LYS A 58 8.292 -2.899 15.316 1.00 0.00 H new ATOM 0 HD2 LYS A 58 10.028 -2.962 13.498 1.00 0.00 H new ATOM 0 HD3 LYS A 58 9.978 -1.213 13.395 1.00 0.00 H new ATOM 0 HE2 LYS A 58 10.804 -2.856 15.842 1.00 0.00 H new ATOM 0 HE3 LYS A 58 11.868 -1.898 14.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 11.389 -0.516 16.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 10.325 0.046 15.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 9.749 -0.954 16.678 1.00 0.00 H new ATOM 1735 N ARG A 59 4.317 -1.180 12.551 1.00 0.00 N ATOM 1736 CA ARG A 59 3.349 -1.181 11.411 1.00 0.00 C ATOM 1737 C ARG A 59 3.976 -0.459 10.217 1.00 0.00 C ATOM 1738 O ARG A 59 5.035 0.129 10.319 1.00 0.00 O ATOM 1739 CB ARG A 59 2.059 -0.471 11.822 1.00 0.00 C ATOM 1740 CG ARG A 59 1.315 -1.335 12.841 1.00 0.00 C ATOM 1741 CD ARG A 59 0.024 -0.637 13.262 1.00 0.00 C ATOM 1742 NE ARG A 59 -0.595 -1.398 14.393 1.00 0.00 N ATOM 1743 CZ ARG A 59 -0.990 -2.631 14.244 1.00 0.00 C ATOM 1744 NH1 ARG A 59 -1.001 -3.175 13.057 1.00 0.00 N ATOM 1745 NH2 ARG A 59 -1.408 -3.310 15.276 1.00 0.00 N ATOM 0 H ARG A 59 4.377 -0.299 13.062 1.00 0.00 H new ATOM 0 HA ARG A 59 3.115 -2.209 11.136 1.00 0.00 H new ATOM 0 HB2 ARG A 59 2.287 0.505 12.251 1.00 0.00 H new ATOM 0 HB3 ARG A 59 1.431 -0.296 10.948 1.00 0.00 H new ATOM 0 HG2 ARG A 59 1.089 -2.310 12.409 1.00 0.00 H new ATOM 0 HG3 ARG A 59 1.946 -1.511 13.712 1.00 0.00 H new ATOM 0 HD2 ARG A 59 0.233 0.388 13.568 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -0.667 -0.584 12.421 1.00 0.00 H new ATOM 0 HE ARG A 59 -0.710 -0.942 15.298 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -0.700 -2.635 12.246 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -1.310 -4.140 12.941 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -1.426 -2.876 16.199 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -1.717 -4.275 15.160 1.00 0.00 H new ATOM 1759 N ASN A 60 3.351 -0.535 9.077 1.00 0.00 N ATOM 1760 CA ASN A 60 3.926 0.107 7.860 1.00 0.00 C ATOM 1761 C ASN A 60 3.700 1.622 7.890 1.00 0.00 C ATOM 1762 O ASN A 60 3.490 2.210 8.932 1.00 0.00 O ATOM 1763 CB ASN A 60 3.281 -0.501 6.611 1.00 0.00 C ATOM 1764 CG ASN A 60 3.700 -1.969 6.484 1.00 0.00 C ATOM 1765 OD1 ASN A 60 4.876 -2.277 6.458 1.00 0.00 O ATOM 1766 ND2 ASN A 60 2.783 -2.893 6.400 1.00 0.00 N ATOM 0 H ASN A 60 2.463 -1.016 8.933 1.00 0.00 H new ATOM 0 HA ASN A 60 5.001 -0.075 7.837 1.00 0.00 H new ATOM 0 HB2 ASN A 60 2.196 -0.426 6.676 1.00 0.00 H new ATOM 0 HB3 ASN A 60 3.587 0.054 5.724 1.00 0.00 H new ATOM 0 HD21 ASN A 60 3.053 -3.873 6.313 1.00 0.00 H new ATOM 0 HD22 ASN A 60 1.796 -2.636 6.422 1.00 0.00 H new