USER MOD reduce.3.24.130724 H: found=0, std=0, add=420, rem=0, adj=16 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 158:sc= -0.158 USER MOD Set 1.2: A 15 CYS SG : rot -60:sc= -3.12! USER MOD Set 1.3: A 33 CYS SG : rot 95:sc= 0.352 USER MOD Set 1.4: A 34 ASN : amide:sc= -1.09! C(o=-5.8!,f=-18!) USER MOD Set 1.5: A 36 CYS SG : rot 93:sc= 0.192 USER MOD Set 1.6: A 52 LYS NZ :NH3+ 142:sc= -1.96! (180deg=-6.8!) USER MOD Set 2.1: A 13 THR OG1 : rot -76:sc= 0.161 USER MOD Set 2.2: A 14 ASN : amide:sc= -1.65 K(o=-1.5,f=-3.2) USER MOD Single : A 10 THR OG1 : rot 40:sc= 0.0497 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.0221 K(o=-0.022,f=-2!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot -121:sc= -0.069 USER MOD Single : A 26 ASN : amide:sc= -1.45 X(o=-1.5,f=-1.3) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 41 LYS NZ :NH3+ -146:sc= -0.142 (180deg=-0.885) USER MOD Single : A 43 HIS : no HE2:sc= -9.59! C(o=-9.6!,f=-14!) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.574 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 161:sc= -0.033 (180deg=-0.385) USER MOD Single : A 60 ASN : amide:sc= -0.539 K(o=-0.54,f=-5!) USER MOD ----------------------------------------------------------------- ATOM 955 N THR A 10 12.478 12.284 31.757 1.00 0.00 N ATOM 956 CA THR A 10 11.075 11.864 31.476 1.00 0.00 C ATOM 957 C THR A 10 10.920 10.361 31.721 1.00 0.00 C ATOM 958 O THR A 10 11.649 9.553 31.181 1.00 0.00 O ATOM 959 CB THR A 10 10.740 12.181 30.016 1.00 0.00 C ATOM 960 OG1 THR A 10 10.781 13.586 29.822 1.00 0.00 O ATOM 961 CG2 THR A 10 9.343 11.657 29.675 1.00 0.00 C ATOM 0 HA THR A 10 10.397 12.403 32.137 1.00 0.00 H new ATOM 0 HB THR A 10 11.469 11.698 29.365 1.00 0.00 H new ATOM 0 HG1 THR A 10 11.537 13.963 30.319 1.00 0.00 H new ATOM 0 HG21 THR A 10 9.112 11.886 28.635 1.00 0.00 H new ATOM 0 HG22 THR A 10 9.313 10.578 29.824 1.00 0.00 H new ATOM 0 HG23 THR A 10 8.608 12.133 30.323 1.00 0.00 H new ATOM 969 N THR A 11 9.969 9.986 32.535 1.00 0.00 N ATOM 970 CA THR A 11 9.744 8.538 32.827 1.00 0.00 C ATOM 971 C THR A 11 8.246 8.296 33.040 1.00 0.00 C ATOM 972 O THR A 11 7.563 9.103 33.639 1.00 0.00 O ATOM 973 CB THR A 11 10.517 8.160 34.094 1.00 0.00 C ATOM 974 OG1 THR A 11 11.905 8.369 33.873 1.00 0.00 O ATOM 975 CG2 THR A 11 10.271 6.691 34.441 1.00 0.00 C ATOM 0 H THR A 11 9.334 10.624 33.014 1.00 0.00 H new ATOM 0 HA THR A 11 10.092 7.928 31.994 1.00 0.00 H new ATOM 0 HB THR A 11 10.176 8.781 34.922 1.00 0.00 H new ATOM 0 HG1 THR A 11 12.405 8.130 34.682 1.00 0.00 H new ATOM 0 HG21 THR A 11 10.825 6.433 35.343 1.00 0.00 H new ATOM 0 HG22 THR A 11 9.206 6.531 34.611 1.00 0.00 H new ATOM 0 HG23 THR A 11 10.606 6.061 33.617 1.00 0.00 H new ATOM 983 N CYS A 12 7.718 7.197 32.564 1.00 0.00 N ATOM 984 CA CYS A 12 6.263 6.934 32.763 1.00 0.00 C ATOM 985 C CYS A 12 5.998 6.679 34.244 1.00 0.00 C ATOM 986 O CYS A 12 6.368 5.655 34.787 1.00 0.00 O ATOM 987 CB CYS A 12 5.836 5.715 31.944 1.00 0.00 C ATOM 988 SG CYS A 12 4.039 5.743 31.729 1.00 0.00 S ATOM 0 H CYS A 12 8.227 6.477 32.051 1.00 0.00 H new ATOM 0 HA CYS A 12 5.689 7.799 32.432 1.00 0.00 H new ATOM 0 HB2 CYS A 12 6.331 5.723 30.973 1.00 0.00 H new ATOM 0 HB3 CYS A 12 6.140 4.798 32.449 1.00 0.00 H new ATOM 0 HG CYS A 12 3.714 5.022 30.697 1.00 0.00 H new ATOM 993 N THR A 13 5.343 7.599 34.896 1.00 0.00 N ATOM 994 CA THR A 13 5.048 7.429 36.344 1.00 0.00 C ATOM 995 C THR A 13 4.081 6.264 36.544 1.00 0.00 C ATOM 996 O THR A 13 3.837 5.836 37.656 1.00 0.00 O ATOM 997 CB THR A 13 4.409 8.711 36.882 1.00 0.00 C ATOM 998 OG1 THR A 13 3.199 8.963 36.179 1.00 0.00 O ATOM 999 CG2 THR A 13 5.368 9.885 36.686 1.00 0.00 C ATOM 0 H THR A 13 4.998 8.466 34.484 1.00 0.00 H new ATOM 0 HA THR A 13 5.976 7.223 36.878 1.00 0.00 H new ATOM 0 HB THR A 13 4.197 8.594 37.945 1.00 0.00 H new ATOM 0 HG1 THR A 13 3.405 9.320 35.290 1.00 0.00 H new ATOM 0 HG21 THR A 13 4.910 10.797 37.070 1.00 0.00 H new ATOM 0 HG22 THR A 13 6.296 9.690 37.224 1.00 0.00 H new ATOM 0 HG23 THR A 13 5.583 10.006 35.624 1.00 0.00 H new ATOM 1007 N ASN A 14 3.516 5.753 35.481 1.00 0.00 N ATOM 1008 CA ASN A 14 2.548 4.623 35.615 1.00 0.00 C ATOM 1009 C ASN A 14 3.233 3.282 35.334 1.00 0.00 C ATOM 1010 O ASN A 14 2.939 2.303 35.992 1.00 0.00 O ATOM 1011 CB ASN A 14 1.394 4.816 34.623 1.00 0.00 C ATOM 1012 CG ASN A 14 0.425 5.875 35.156 1.00 0.00 C ATOM 1013 OD1 ASN A 14 0.767 6.645 36.032 1.00 0.00 O ATOM 1014 ND2 ASN A 14 -0.784 5.935 34.669 1.00 0.00 N ATOM 0 H ASN A 14 3.683 6.069 34.526 1.00 0.00 H new ATOM 0 HA ASN A 14 2.167 4.615 36.636 1.00 0.00 H new ATOM 0 HB2 ASN A 14 1.784 5.122 33.652 1.00 0.00 H new ATOM 0 HB3 ASN A 14 0.870 3.872 34.473 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -1.443 6.628 35.023 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -1.070 5.289 33.934 1.00 0.00 H new ATOM 1021 N CYS A 15 4.111 3.200 34.358 1.00 0.00 N ATOM 1022 CA CYS A 15 4.762 1.881 34.050 1.00 0.00 C ATOM 1023 C CYS A 15 6.282 2.024 33.921 1.00 0.00 C ATOM 1024 O CYS A 15 6.967 1.083 33.572 1.00 0.00 O ATOM 1025 CB CYS A 15 4.161 1.301 32.761 1.00 0.00 C ATOM 1026 SG CYS A 15 4.852 2.120 31.303 1.00 0.00 S ATOM 0 H CYS A 15 4.403 3.979 33.768 1.00 0.00 H new ATOM 0 HA CYS A 15 4.569 1.198 34.877 1.00 0.00 H new ATOM 0 HB2 CYS A 15 4.361 0.231 32.711 1.00 0.00 H new ATOM 0 HB3 CYS A 15 3.078 1.423 32.773 1.00 0.00 H new ATOM 0 HG CYS A 15 4.593 3.393 31.357 1.00 0.00 H new ATOM 1031 N PHE A 16 6.827 3.168 34.239 1.00 0.00 N ATOM 1032 CA PHE A 16 8.310 3.350 34.185 1.00 0.00 C ATOM 1033 C PHE A 16 8.901 2.990 32.817 1.00 0.00 C ATOM 1034 O PHE A 16 10.106 2.992 32.656 1.00 0.00 O ATOM 1035 CB PHE A 16 8.965 2.468 35.250 1.00 0.00 C ATOM 1036 CG PHE A 16 8.421 2.820 36.615 1.00 0.00 C ATOM 1037 CD1 PHE A 16 8.991 3.867 37.351 1.00 0.00 C ATOM 1038 CD2 PHE A 16 7.347 2.096 37.146 1.00 0.00 C ATOM 1039 CE1 PHE A 16 8.487 4.188 38.618 1.00 0.00 C ATOM 1040 CE2 PHE A 16 6.843 2.416 38.413 1.00 0.00 C ATOM 1041 CZ PHE A 16 7.412 3.462 39.148 1.00 0.00 C ATOM 0 H PHE A 16 6.305 3.992 34.537 1.00 0.00 H new ATOM 0 HA PHE A 16 8.512 4.406 34.366 1.00 0.00 H new ATOM 0 HB2 PHE A 16 8.773 1.417 35.032 1.00 0.00 H new ATOM 0 HB3 PHE A 16 10.046 2.605 35.233 1.00 0.00 H new ATOM 0 HD1 PHE A 16 9.819 4.427 36.942 1.00 0.00 H new ATOM 0 HD2 PHE A 16 6.907 1.290 36.578 1.00 0.00 H new ATOM 0 HE1 PHE A 16 8.927 4.995 39.186 1.00 0.00 H new ATOM 0 HE2 PHE A 16 6.016 1.856 38.823 1.00 0.00 H new ATOM 0 HZ PHE A 16 7.022 3.710 40.124 1.00 0.00 H new ATOM 1051 N THR A 17 8.110 2.658 31.833 1.00 0.00 N ATOM 1052 CA THR A 17 8.716 2.283 30.520 1.00 0.00 C ATOM 1053 C THR A 17 9.443 3.488 29.916 1.00 0.00 C ATOM 1054 O THR A 17 8.921 4.584 29.873 1.00 0.00 O ATOM 1055 CB THR A 17 7.620 1.817 29.555 1.00 0.00 C ATOM 1056 OG1 THR A 17 8.224 1.218 28.418 1.00 0.00 O ATOM 1057 CG2 THR A 17 6.766 3.009 29.109 1.00 0.00 C ATOM 0 H THR A 17 7.091 2.629 31.876 1.00 0.00 H new ATOM 0 HA THR A 17 9.428 1.474 30.680 1.00 0.00 H new ATOM 0 HB THR A 17 6.981 1.094 30.062 1.00 0.00 H new ATOM 0 HG1 THR A 17 7.527 0.917 27.798 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.991 2.665 28.424 1.00 0.00 H new ATOM 0 HG22 THR A 17 6.301 3.470 29.981 1.00 0.00 H new ATOM 0 HG23 THR A 17 7.397 3.741 28.605 1.00 0.00 H new ATOM 1065 N GLN A 18 10.647 3.287 29.442 1.00 0.00 N ATOM 1066 CA GLN A 18 11.423 4.406 28.827 1.00 0.00 C ATOM 1067 C GLN A 18 11.358 4.295 27.302 1.00 0.00 C ATOM 1068 O GLN A 18 11.789 5.179 26.590 1.00 0.00 O ATOM 1069 CB GLN A 18 12.889 4.316 29.258 1.00 0.00 C ATOM 1070 CG GLN A 18 13.032 4.655 30.741 1.00 0.00 C ATOM 1071 CD GLN A 18 14.461 4.336 31.184 1.00 0.00 C ATOM 1072 OE1 GLN A 18 15.144 3.560 30.545 1.00 0.00 O ATOM 1073 NE2 GLN A 18 14.948 4.903 32.254 1.00 0.00 N ATOM 0 H GLN A 18 11.129 2.388 29.455 1.00 0.00 H new ATOM 0 HA GLN A 18 10.996 5.354 29.154 1.00 0.00 H new ATOM 0 HB2 GLN A 18 13.268 3.312 29.070 1.00 0.00 H new ATOM 0 HB3 GLN A 18 13.492 5.001 28.662 1.00 0.00 H new ATOM 0 HG2 GLN A 18 12.811 5.709 30.910 1.00 0.00 H new ATOM 0 HG3 GLN A 18 12.317 4.081 31.330 1.00 0.00 H new ATOM 0 HE21 GLN A 18 14.376 5.555 32.791 1.00 0.00 H new ATOM 0 HE22 GLN A 18 15.901 4.695 32.553 1.00 0.00 H new ATOM 1082 N THR A 19 10.828 3.212 26.794 1.00 0.00 N ATOM 1083 CA THR A 19 10.739 3.035 25.311 1.00 0.00 C ATOM 1084 C THR A 19 9.315 3.351 24.856 1.00 0.00 C ATOM 1085 O THR A 19 8.371 2.699 25.254 1.00 0.00 O ATOM 1086 CB THR A 19 11.065 1.583 24.955 1.00 0.00 C ATOM 1087 OG1 THR A 19 12.359 1.257 25.444 1.00 0.00 O ATOM 1088 CG2 THR A 19 11.034 1.411 23.436 1.00 0.00 C ATOM 0 H THR A 19 10.451 2.439 27.343 1.00 0.00 H new ATOM 0 HA THR A 19 11.445 3.703 24.818 1.00 0.00 H new ATOM 0 HB THR A 19 10.327 0.922 25.409 1.00 0.00 H new ATOM 0 HG1 THR A 19 12.569 0.327 25.219 1.00 0.00 H new ATOM 0 HG21 THR A 19 11.266 0.377 23.182 1.00 0.00 H new ATOM 0 HG22 THR A 19 10.042 1.663 23.062 1.00 0.00 H new ATOM 0 HG23 THR A 19 11.772 2.071 22.980 1.00 0.00 H new ATOM 1096 N THR A 20 9.143 4.348 24.031 1.00 0.00 N ATOM 1097 CA THR A 20 7.767 4.685 23.574 1.00 0.00 C ATOM 1098 C THR A 20 7.828 5.579 22.325 1.00 0.00 C ATOM 1099 O THR A 20 8.675 6.447 22.233 1.00 0.00 O ATOM 1100 CB THR A 20 7.052 5.434 24.698 1.00 0.00 C ATOM 1101 OG1 THR A 20 5.737 5.770 24.281 1.00 0.00 O ATOM 1102 CG2 THR A 20 7.829 6.709 25.035 1.00 0.00 C ATOM 0 H THR A 20 9.887 4.937 23.658 1.00 0.00 H new ATOM 0 HA THR A 20 7.230 3.770 23.325 1.00 0.00 H new ATOM 0 HB THR A 20 6.998 4.800 25.583 1.00 0.00 H new ATOM 0 HG1 THR A 20 5.619 6.742 24.323 1.00 0.00 H new ATOM 0 HG21 THR A 20 7.320 7.244 25.837 1.00 0.00 H new ATOM 0 HG22 THR A 20 8.837 6.447 25.357 1.00 0.00 H new ATOM 0 HG23 THR A 20 7.884 7.346 24.152 1.00 0.00 H new ATOM 1110 N PRO A 21 6.934 5.400 21.380 1.00 0.00 N ATOM 1111 CA PRO A 21 6.903 6.241 20.147 1.00 0.00 C ATOM 1112 C PRO A 21 6.323 7.631 20.429 1.00 0.00 C ATOM 1113 O PRO A 21 6.518 8.562 19.672 1.00 0.00 O ATOM 1114 CB PRO A 21 5.980 5.455 19.209 1.00 0.00 C ATOM 1115 CG PRO A 21 5.039 4.749 20.127 1.00 0.00 C ATOM 1116 CD PRO A 21 5.861 4.387 21.365 1.00 0.00 C ATOM 0 HA PRO A 21 7.897 6.416 19.735 1.00 0.00 H new ATOM 0 HB2 PRO A 21 5.448 6.118 18.526 1.00 0.00 H new ATOM 0 HB3 PRO A 21 6.542 4.750 18.596 1.00 0.00 H new ATOM 0 HG2 PRO A 21 4.196 5.388 20.390 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.628 3.856 19.655 1.00 0.00 H new ATOM 0 HD2 PRO A 21 5.258 4.429 22.272 1.00 0.00 H new ATOM 0 HD3 PRO A 21 6.265 3.377 21.296 1.00 0.00 H new ATOM 1124 N LEU A 22 5.589 7.771 21.502 1.00 0.00 N ATOM 1125 CA LEU A 22 4.973 9.094 21.813 1.00 0.00 C ATOM 1126 C LEU A 22 4.722 9.222 23.320 1.00 0.00 C ATOM 1127 O LEU A 22 4.076 8.397 23.935 1.00 0.00 O ATOM 1128 CB LEU A 22 3.655 9.195 21.034 1.00 0.00 C ATOM 1129 CG LEU A 22 2.837 10.419 21.464 1.00 0.00 C ATOM 1130 CD1 LEU A 22 3.649 11.702 21.281 1.00 0.00 C ATOM 1131 CD2 LEU A 22 1.589 10.501 20.584 1.00 0.00 C ATOM 0 H LEU A 22 5.390 7.029 22.174 1.00 0.00 H new ATOM 0 HA LEU A 22 5.642 9.903 21.520 1.00 0.00 H new ATOM 0 HB2 LEU A 22 3.866 9.255 19.966 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.068 8.290 21.192 1.00 0.00 H new ATOM 0 HG LEU A 22 2.569 10.317 22.516 1.00 0.00 H new ATOM 0 HD11 LEU A 22 3.051 12.559 21.592 1.00 0.00 H new ATOM 0 HD12 LEU A 22 4.552 11.651 21.889 1.00 0.00 H new ATOM 0 HD13 LEU A 22 3.923 11.812 20.232 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.994 11.367 20.876 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.886 10.600 19.540 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.996 9.595 20.708 1.00 0.00 H new ATOM 1143 N TRP A 23 5.245 10.265 23.910 1.00 0.00 N ATOM 1144 CA TRP A 23 5.062 10.479 25.377 1.00 0.00 C ATOM 1145 C TRP A 23 3.716 11.162 25.632 1.00 0.00 C ATOM 1146 O TRP A 23 3.403 12.178 25.043 1.00 0.00 O ATOM 1147 CB TRP A 23 6.191 11.369 25.915 1.00 0.00 C ATOM 1148 CG TRP A 23 7.437 10.562 26.100 1.00 0.00 C ATOM 1149 CD1 TRP A 23 8.518 10.607 25.291 1.00 0.00 C ATOM 1150 CD2 TRP A 23 7.749 9.597 27.149 1.00 0.00 C ATOM 1151 NE1 TRP A 23 9.477 9.734 25.776 1.00 0.00 N ATOM 1152 CE2 TRP A 23 9.049 9.087 26.917 1.00 0.00 C ATOM 1153 CE3 TRP A 23 7.039 9.121 28.264 1.00 0.00 C ATOM 1154 CZ2 TRP A 23 9.625 8.138 27.763 1.00 0.00 C ATOM 1155 CZ3 TRP A 23 7.614 8.165 29.118 1.00 0.00 C ATOM 1156 CH2 TRP A 23 8.903 7.675 28.868 1.00 0.00 C ATOM 0 H TRP A 23 5.794 10.982 23.436 1.00 0.00 H new ATOM 0 HA TRP A 23 5.085 9.515 25.885 1.00 0.00 H new ATOM 0 HB2 TRP A 23 6.379 12.190 25.223 1.00 0.00 H new ATOM 0 HB3 TRP A 23 5.893 11.815 26.864 1.00 0.00 H new ATOM 0 HD1 TRP A 23 8.618 11.223 24.410 1.00 0.00 H new ATOM 0 HE1 TRP A 23 10.389 9.587 25.343 1.00 0.00 H new ATOM 0 HE3 TRP A 23 6.045 9.492 28.466 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 10.619 7.765 27.566 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 7.059 7.806 29.972 1.00 0.00 H new ATOM 0 HH2 TRP A 23 9.339 6.940 29.528 1.00 0.00 H new ATOM 1167 N ARG A 24 2.911 10.599 26.498 1.00 0.00 N ATOM 1168 CA ARG A 24 1.570 11.187 26.797 1.00 0.00 C ATOM 1169 C ARG A 24 1.583 11.818 28.190 1.00 0.00 C ATOM 1170 O ARG A 24 2.542 11.703 28.927 1.00 0.00 O ATOM 1171 CB ARG A 24 0.513 10.076 26.760 1.00 0.00 C ATOM 1172 CG ARG A 24 0.487 9.406 25.382 1.00 0.00 C ATOM 1173 CD ARG A 24 -0.308 10.263 24.393 1.00 0.00 C ATOM 1174 NE ARG A 24 -0.312 9.604 23.060 1.00 0.00 N ATOM 1175 CZ ARG A 24 -1.167 9.993 22.159 1.00 0.00 C ATOM 1176 NH1 ARG A 24 -2.016 10.940 22.449 1.00 0.00 N ATOM 1177 NH2 ARG A 24 -1.168 9.439 20.978 1.00 0.00 N ATOM 0 H ARG A 24 3.129 9.748 27.016 1.00 0.00 H new ATOM 0 HA ARG A 24 1.336 11.950 26.054 1.00 0.00 H new ATOM 0 HB2 ARG A 24 0.730 9.334 27.528 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -0.469 10.492 26.987 1.00 0.00 H new ATOM 0 HG2 ARG A 24 1.505 9.267 25.018 1.00 0.00 H new ATOM 0 HG3 ARG A 24 0.038 8.416 25.459 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -1.330 10.395 24.749 1.00 0.00 H new ATOM 0 HD3 ARG A 24 0.134 11.256 24.318 1.00 0.00 H new ATOM 0 HE ARG A 24 0.349 8.855 22.854 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -2.006 11.368 23.375 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -2.690 11.252 21.750 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -0.499 8.701 20.760 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -1.838 9.744 20.272 1.00 0.00 H new ATOM 1191 N ARG A 25 0.517 12.486 28.551 1.00 0.00 N ATOM 1192 CA ARG A 25 0.440 13.135 29.893 1.00 0.00 C ATOM 1193 C ARG A 25 -0.956 12.905 30.479 1.00 0.00 C ATOM 1194 O ARG A 25 -1.917 12.716 29.760 1.00 0.00 O ATOM 1195 CB ARG A 25 0.712 14.639 29.755 1.00 0.00 C ATOM 1196 CG ARG A 25 -0.454 15.330 29.039 1.00 0.00 C ATOM 1197 CD ARG A 25 -0.092 16.790 28.757 1.00 0.00 C ATOM 1198 NE ARG A 25 -1.255 17.475 28.126 1.00 0.00 N ATOM 1199 CZ ARG A 25 -1.305 18.779 28.082 1.00 0.00 C ATOM 1200 NH1 ARG A 25 -0.328 19.488 28.580 1.00 0.00 N ATOM 1201 NH2 ARG A 25 -2.332 19.375 27.537 1.00 0.00 N ATOM 0 H ARG A 25 -0.310 12.610 27.967 1.00 0.00 H new ATOM 0 HA ARG A 25 1.188 12.702 30.557 1.00 0.00 H new ATOM 0 HB2 ARG A 25 0.855 15.081 30.741 1.00 0.00 H new ATOM 0 HB3 ARG A 25 1.635 14.798 29.198 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -0.678 14.814 28.105 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -1.352 15.280 29.654 1.00 0.00 H new ATOM 0 HD2 ARG A 25 0.182 17.294 29.684 1.00 0.00 H new ATOM 0 HD3 ARG A 25 0.775 16.841 28.098 1.00 0.00 H new ATOM 0 HE ARG A 25 -2.015 16.923 27.727 1.00 0.00 H new ATOM 0 HH11 ARG A 25 0.475 19.023 29.004 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -0.368 20.507 28.545 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -3.094 18.822 27.146 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -2.371 20.394 27.503 1.00 0.00 H new ATOM 1215 N ASN A 26 -1.072 12.916 31.779 1.00 0.00 N ATOM 1216 CA ASN A 26 -2.400 12.695 32.426 1.00 0.00 C ATOM 1217 C ASN A 26 -3.080 14.056 32.650 1.00 0.00 C ATOM 1218 O ASN A 26 -2.418 15.007 33.005 1.00 0.00 O ATOM 1219 CB ASN A 26 -2.174 12.014 33.779 1.00 0.00 C ATOM 1220 CG ASN A 26 -3.485 11.411 34.286 1.00 0.00 C ATOM 1221 OD1 ASN A 26 -4.165 12.006 35.099 1.00 0.00 O ATOM 1222 ND2 ASN A 26 -3.872 10.247 33.840 1.00 0.00 N ATOM 0 H ASN A 26 -0.299 13.070 32.426 1.00 0.00 H new ATOM 0 HA ASN A 26 -3.031 12.071 31.793 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -1.419 11.234 33.681 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -1.794 12.737 34.500 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -4.744 9.837 34.174 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -3.302 9.747 33.158 1.00 0.00 H new ATOM 1229 N PRO A 27 -4.375 14.178 32.460 1.00 0.00 N ATOM 1230 CA PRO A 27 -5.079 15.476 32.679 1.00 0.00 C ATOM 1231 C PRO A 27 -4.640 16.171 33.977 1.00 0.00 C ATOM 1232 O PRO A 27 -4.931 17.330 34.195 1.00 0.00 O ATOM 1233 CB PRO A 27 -6.557 15.077 32.755 1.00 0.00 C ATOM 1234 CG PRO A 27 -6.669 13.839 31.921 1.00 0.00 C ATOM 1235 CD PRO A 27 -5.312 13.126 32.013 1.00 0.00 C ATOM 0 HA PRO A 27 -4.860 16.193 31.888 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -6.862 14.888 33.784 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -7.200 15.870 32.372 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -7.470 13.197 32.286 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -6.907 14.088 30.887 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -5.346 12.297 32.720 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -5.014 12.712 31.050 1.00 0.00 H new ATOM 1243 N GLU A 28 -3.938 15.474 34.837 1.00 0.00 N ATOM 1244 CA GLU A 28 -3.471 16.088 36.121 1.00 0.00 C ATOM 1245 C GLU A 28 -2.001 16.499 35.988 1.00 0.00 C ATOM 1246 O GLU A 28 -1.376 16.932 36.937 1.00 0.00 O ATOM 1247 CB GLU A 28 -3.626 15.071 37.256 1.00 0.00 C ATOM 1248 CG GLU A 28 -5.111 14.889 37.579 1.00 0.00 C ATOM 1249 CD GLU A 28 -5.267 13.873 38.713 1.00 0.00 C ATOM 1250 OE1 GLU A 28 -4.282 13.240 39.052 1.00 0.00 O ATOM 1251 OE2 GLU A 28 -6.367 13.749 39.225 1.00 0.00 O ATOM 0 H GLU A 28 -3.666 14.500 34.704 1.00 0.00 H new ATOM 0 HA GLU A 28 -4.070 16.971 36.344 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -3.186 14.117 36.966 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -3.090 15.413 38.141 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -5.550 15.843 37.869 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -5.647 14.547 36.694 1.00 0.00 H new ATOM 1258 N GLY A 29 -1.453 16.377 34.810 1.00 0.00 N ATOM 1259 CA GLY A 29 -0.031 16.769 34.583 1.00 0.00 C ATOM 1260 C GLY A 29 0.933 15.635 34.951 1.00 0.00 C ATOM 1261 O GLY A 29 2.096 15.875 35.208 1.00 0.00 O ATOM 0 H GLY A 29 -1.935 16.019 33.985 1.00 0.00 H new ATOM 0 HA2 GLY A 29 0.109 17.041 33.537 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.203 17.653 35.177 1.00 0.00 H new ATOM 1265 N GLN A 30 0.483 14.406 34.976 1.00 0.00 N ATOM 1266 CA GLN A 30 1.405 13.274 35.317 1.00 0.00 C ATOM 1267 C GLN A 30 1.919 12.624 34.017 1.00 0.00 C ATOM 1268 O GLN A 30 1.156 11.991 33.318 1.00 0.00 O ATOM 1269 CB GLN A 30 0.638 12.223 36.127 1.00 0.00 C ATOM 1270 CG GLN A 30 -0.179 12.918 37.216 1.00 0.00 C ATOM 1271 CD GLN A 30 -0.791 11.870 38.147 1.00 0.00 C ATOM 1272 OE1 GLN A 30 -1.208 10.818 37.705 1.00 0.00 O ATOM 1273 NE2 GLN A 30 -0.865 12.116 39.428 1.00 0.00 N ATOM 0 H GLN A 30 -0.480 14.135 34.776 1.00 0.00 H new ATOM 0 HA GLN A 30 2.245 13.652 35.899 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -0.020 11.652 35.472 1.00 0.00 H new ATOM 0 HB3 GLN A 30 1.334 11.514 36.576 1.00 0.00 H new ATOM 0 HG2 GLN A 30 0.457 13.597 37.784 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -0.966 13.522 36.764 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -0.515 12.999 39.799 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -1.273 11.425 40.057 1.00 0.00 H new ATOM 1282 N PRO A 31 3.184 12.762 33.676 1.00 0.00 N ATOM 1283 CA PRO A 31 3.743 12.153 32.427 1.00 0.00 C ATOM 1284 C PRO A 31 3.384 10.668 32.258 1.00 0.00 C ATOM 1285 O PRO A 31 3.472 9.888 33.182 1.00 0.00 O ATOM 1286 CB PRO A 31 5.261 12.311 32.592 1.00 0.00 C ATOM 1287 CG PRO A 31 5.427 13.508 33.466 1.00 0.00 C ATOM 1288 CD PRO A 31 4.224 13.513 34.412 1.00 0.00 C ATOM 0 HA PRO A 31 3.336 12.640 31.541 1.00 0.00 H new ATOM 0 HB2 PRO A 31 5.704 11.425 33.047 1.00 0.00 H new ATOM 0 HB3 PRO A 31 5.751 12.454 31.629 1.00 0.00 H new ATOM 0 HG2 PRO A 31 6.362 13.456 34.024 1.00 0.00 H new ATOM 0 HG3 PRO A 31 5.460 14.422 32.873 1.00 0.00 H new ATOM 0 HD2 PRO A 31 4.462 13.036 35.363 1.00 0.00 H new ATOM 0 HD3 PRO A 31 3.898 14.528 34.637 1.00 0.00 H new ATOM 1296 N LEU A 32 3.012 10.281 31.063 1.00 0.00 N ATOM 1297 CA LEU A 32 2.666 8.853 30.775 1.00 0.00 C ATOM 1298 C LEU A 32 3.352 8.448 29.471 1.00 0.00 C ATOM 1299 O LEU A 32 3.708 9.293 28.674 1.00 0.00 O ATOM 1300 CB LEU A 32 1.152 8.697 30.595 1.00 0.00 C ATOM 1301 CG LEU A 32 0.404 9.036 31.886 1.00 0.00 C ATOM 1302 CD1 LEU A 32 -1.098 8.896 31.632 1.00 0.00 C ATOM 1303 CD2 LEU A 32 0.820 8.084 33.018 1.00 0.00 C ATOM 0 H LEU A 32 2.932 10.905 30.260 1.00 0.00 H new ATOM 0 HA LEU A 32 2.994 8.227 31.605 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.810 9.349 29.791 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.922 7.674 30.296 1.00 0.00 H new ATOM 0 HG LEU A 32 0.647 10.056 32.185 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.645 9.135 32.544 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.398 9.581 30.839 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.322 7.873 31.332 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.277 8.341 33.928 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.587 7.058 32.734 1.00 0.00 H new ATOM 0 HD23 LEU A 32 1.891 8.177 33.196 1.00 0.00 H new ATOM 1315 N CYS A 33 3.510 7.175 29.207 1.00 0.00 N ATOM 1316 CA CYS A 33 4.133 6.772 27.914 1.00 0.00 C ATOM 1317 C CYS A 33 3.035 6.744 26.849 1.00 0.00 C ATOM 1318 O CYS A 33 2.152 7.577 26.842 1.00 0.00 O ATOM 1319 CB CYS A 33 4.790 5.393 28.038 1.00 0.00 C ATOM 1320 SG CYS A 33 3.547 4.125 28.376 1.00 0.00 S ATOM 0 H CYS A 33 3.238 6.409 29.823 1.00 0.00 H new ATOM 0 HA CYS A 33 4.910 7.484 27.637 1.00 0.00 H new ATOM 0 HB2 CYS A 33 5.321 5.153 27.117 1.00 0.00 H new ATOM 0 HB3 CYS A 33 5.530 5.407 28.838 1.00 0.00 H new ATOM 0 HG CYS A 33 3.177 3.572 27.259 1.00 0.00 H new ATOM 1325 N ASN A 34 3.076 5.807 25.942 1.00 0.00 N ATOM 1326 CA ASN A 34 2.024 5.754 24.884 1.00 0.00 C ATOM 1327 C ASN A 34 0.746 5.061 25.381 1.00 0.00 C ATOM 1328 O ASN A 34 -0.296 5.676 25.503 1.00 0.00 O ATOM 1329 CB ASN A 34 2.566 5.004 23.665 1.00 0.00 C ATOM 1330 CG ASN A 34 3.188 3.678 24.106 1.00 0.00 C ATOM 1331 OD1 ASN A 34 3.293 3.403 25.284 1.00 0.00 O ATOM 1332 ND2 ASN A 34 3.613 2.841 23.198 1.00 0.00 N ATOM 0 H ASN A 34 3.788 5.079 25.886 1.00 0.00 H new ATOM 0 HA ASN A 34 1.767 6.779 24.617 1.00 0.00 H new ATOM 0 HB2 ASN A 34 1.762 4.820 22.953 1.00 0.00 H new ATOM 0 HB3 ASN A 34 3.311 5.613 23.154 1.00 0.00 H new ATOM 0 HD21 ASN A 34 4.034 1.955 23.478 1.00 0.00 H new ATOM 0 HD22 ASN A 34 3.524 3.073 22.209 1.00 0.00 H new ATOM 1339 N ALA A 35 0.799 3.775 25.602 1.00 0.00 N ATOM 1340 CA ALA A 35 -0.420 3.011 26.014 1.00 0.00 C ATOM 1341 C ALA A 35 -1.012 3.457 27.363 1.00 0.00 C ATOM 1342 O ALA A 35 -2.214 3.450 27.526 1.00 0.00 O ATOM 1343 CB ALA A 35 -0.073 1.522 26.075 1.00 0.00 C ATOM 0 H ALA A 35 1.645 3.212 25.514 1.00 0.00 H new ATOM 0 HA ALA A 35 -1.187 3.213 25.266 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.954 0.955 26.374 1.00 0.00 H new ATOM 0 HB2 ALA A 35 0.259 1.185 25.093 1.00 0.00 H new ATOM 0 HB3 ALA A 35 0.724 1.364 26.801 1.00 0.00 H new ATOM 1349 N CYS A 36 -0.223 3.816 28.341 1.00 0.00 N ATOM 1350 CA CYS A 36 -0.833 4.217 29.652 1.00 0.00 C ATOM 1351 C CYS A 36 -1.819 5.372 29.442 1.00 0.00 C ATOM 1352 O CYS A 36 -2.968 5.296 29.829 1.00 0.00 O ATOM 1353 CB CYS A 36 0.254 4.680 30.623 1.00 0.00 C ATOM 1354 SG CYS A 36 1.258 3.281 31.179 1.00 0.00 S ATOM 0 H CYS A 36 0.795 3.850 28.297 1.00 0.00 H new ATOM 0 HA CYS A 36 -1.353 3.352 30.064 1.00 0.00 H new ATOM 0 HB2 CYS A 36 0.890 5.420 30.137 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -0.204 5.169 31.483 1.00 0.00 H new ATOM 0 HG CYS A 36 2.299 3.161 30.409 1.00 0.00 H new ATOM 1359 N GLY A 37 -1.380 6.438 28.833 1.00 0.00 N ATOM 1360 CA GLY A 37 -2.290 7.594 28.595 1.00 0.00 C ATOM 1361 C GLY A 37 -3.474 7.163 27.727 1.00 0.00 C ATOM 1362 O GLY A 37 -4.609 7.495 28.003 1.00 0.00 O ATOM 0 H GLY A 37 -0.428 6.559 28.489 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -2.650 7.985 29.547 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.745 8.401 28.105 1.00 0.00 H new ATOM 1366 N LEU A 38 -3.222 6.429 26.679 1.00 0.00 N ATOM 1367 CA LEU A 38 -4.334 5.980 25.792 1.00 0.00 C ATOM 1368 C LEU A 38 -5.229 4.972 26.521 1.00 0.00 C ATOM 1369 O LEU A 38 -6.436 4.986 26.389 1.00 0.00 O ATOM 1370 CB LEU A 38 -3.733 5.296 24.558 1.00 0.00 C ATOM 1371 CG LEU A 38 -2.923 6.296 23.721 1.00 0.00 C ATOM 1372 CD1 LEU A 38 -2.122 5.530 22.662 1.00 0.00 C ATOM 1373 CD2 LEU A 38 -3.860 7.289 23.019 1.00 0.00 C ATOM 0 H LEU A 38 -2.292 6.119 26.397 1.00 0.00 H new ATOM 0 HA LEU A 38 -4.931 6.846 25.505 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -3.091 4.472 24.870 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.530 4.867 23.950 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.251 6.847 24.379 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.544 6.234 22.063 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -1.446 4.830 23.153 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.806 4.980 22.016 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.270 7.991 22.430 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -4.540 6.746 22.363 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -4.436 7.836 23.766 1.00 0.00 H new ATOM 1385 N PHE A 39 -4.639 4.082 27.271 1.00 0.00 N ATOM 1386 CA PHE A 39 -5.444 3.048 27.985 1.00 0.00 C ATOM 1387 C PHE A 39 -6.093 3.595 29.260 1.00 0.00 C ATOM 1388 O PHE A 39 -7.269 3.405 29.495 1.00 0.00 O ATOM 1389 CB PHE A 39 -4.539 1.875 28.371 1.00 0.00 C ATOM 1390 CG PHE A 39 -5.348 0.867 29.154 1.00 0.00 C ATOM 1391 CD1 PHE A 39 -5.451 0.991 30.543 1.00 0.00 C ATOM 1392 CD2 PHE A 39 -6.010 -0.173 28.494 1.00 0.00 C ATOM 1393 CE1 PHE A 39 -6.213 0.073 31.274 1.00 0.00 C ATOM 1394 CE2 PHE A 39 -6.773 -1.092 29.224 1.00 0.00 C ATOM 1395 CZ PHE A 39 -6.875 -0.969 30.614 1.00 0.00 C ATOM 0 H PHE A 39 -3.632 4.025 27.421 1.00 0.00 H new ATOM 0 HA PHE A 39 -6.235 2.730 27.306 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -4.122 1.411 27.477 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -3.698 2.229 28.968 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -4.942 1.796 31.052 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -5.933 -0.267 27.421 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -6.290 0.168 32.347 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -7.283 -1.896 28.714 1.00 0.00 H new ATOM 0 HZ PHE A 39 -7.464 -1.678 31.177 1.00 0.00 H new ATOM 1405 N LEU A 40 -5.329 4.224 30.109 1.00 0.00 N ATOM 1406 CA LEU A 40 -5.902 4.719 31.393 1.00 0.00 C ATOM 1407 C LEU A 40 -7.031 5.712 31.117 1.00 0.00 C ATOM 1408 O LEU A 40 -8.099 5.619 31.687 1.00 0.00 O ATOM 1409 CB LEU A 40 -4.801 5.401 32.208 1.00 0.00 C ATOM 1410 CG LEU A 40 -5.314 5.727 33.618 1.00 0.00 C ATOM 1411 CD1 LEU A 40 -5.498 4.436 34.439 1.00 0.00 C ATOM 1412 CD2 LEU A 40 -4.305 6.646 34.313 1.00 0.00 C ATOM 0 H LEU A 40 -4.337 4.416 29.971 1.00 0.00 H new ATOM 0 HA LEU A 40 -6.305 3.877 31.955 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.929 4.751 32.271 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.481 6.315 31.708 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.281 6.225 33.542 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -5.862 4.687 35.435 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.220 3.788 33.942 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.542 3.918 34.522 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.660 6.884 35.316 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.340 6.143 34.379 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.196 7.566 33.739 1.00 0.00 H new ATOM 1424 N LYS A 41 -6.806 6.671 30.266 1.00 0.00 N ATOM 1425 CA LYS A 41 -7.872 7.671 29.978 1.00 0.00 C ATOM 1426 C LYS A 41 -9.109 6.962 29.417 1.00 0.00 C ATOM 1427 O LYS A 41 -10.224 7.229 29.816 1.00 0.00 O ATOM 1428 CB LYS A 41 -7.351 8.670 28.942 1.00 0.00 C ATOM 1429 CG LYS A 41 -8.380 9.782 28.732 1.00 0.00 C ATOM 1430 CD LYS A 41 -7.851 10.773 27.694 1.00 0.00 C ATOM 1431 CE LYS A 41 -8.871 11.894 27.493 1.00 0.00 C ATOM 1432 NZ LYS A 41 -10.194 11.307 27.139 1.00 0.00 N ATOM 0 H LYS A 41 -5.932 6.807 29.757 1.00 0.00 H new ATOM 0 HA LYS A 41 -8.141 8.192 30.897 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -6.405 9.096 29.277 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -7.155 8.161 27.999 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -9.327 9.358 28.397 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -8.576 10.294 29.674 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -6.899 11.188 28.024 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -7.665 10.262 26.749 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -8.957 12.489 28.402 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -8.537 12.566 26.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -10.690 11.941 26.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -10.053 10.380 26.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -10.764 11.190 28.001 1.00 0.00 H new ATOM 1446 N LEU A 42 -8.920 6.073 28.481 1.00 0.00 N ATOM 1447 CA LEU A 42 -10.087 5.363 27.879 1.00 0.00 C ATOM 1448 C LEU A 42 -10.714 4.393 28.886 1.00 0.00 C ATOM 1449 O LEU A 42 -11.907 4.158 28.863 1.00 0.00 O ATOM 1450 CB LEU A 42 -9.638 4.574 26.645 1.00 0.00 C ATOM 1451 CG LEU A 42 -9.246 5.526 25.505 1.00 0.00 C ATOM 1452 CD1 LEU A 42 -8.707 4.698 24.335 1.00 0.00 C ATOM 1453 CD2 LEU A 42 -10.463 6.348 25.041 1.00 0.00 C ATOM 0 H LEU A 42 -8.009 5.807 28.106 1.00 0.00 H new ATOM 0 HA LEU A 42 -10.827 6.111 27.595 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -8.791 3.938 26.902 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -10.442 3.916 26.316 1.00 0.00 H new ATOM 0 HG LEU A 42 -8.482 6.217 25.861 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -8.425 5.363 23.518 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -7.834 4.133 24.661 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -9.478 4.008 23.992 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -10.164 7.016 24.233 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -11.243 5.675 24.685 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -10.845 6.936 25.876 1.00 0.00 H new ATOM 1465 N HIS A 43 -9.933 3.789 29.742 1.00 0.00 N ATOM 1466 CA HIS A 43 -10.510 2.799 30.704 1.00 0.00 C ATOM 1467 C HIS A 43 -10.928 3.477 32.012 1.00 0.00 C ATOM 1468 O HIS A 43 -11.957 3.154 32.573 1.00 0.00 O ATOM 1469 CB HIS A 43 -9.460 1.718 30.981 1.00 0.00 C ATOM 1470 CG HIS A 43 -9.314 0.859 29.754 1.00 0.00 C ATOM 1471 ND1 HIS A 43 -8.650 1.298 28.619 1.00 0.00 N ATOM 1472 CD2 HIS A 43 -9.772 -0.401 29.457 1.00 0.00 C ATOM 1473 CE1 HIS A 43 -8.731 0.320 27.699 1.00 0.00 C ATOM 1474 NE2 HIS A 43 -9.403 -0.739 28.157 1.00 0.00 N ATOM 0 H HIS A 43 -8.926 3.936 29.818 1.00 0.00 H new ATOM 0 HA HIS A 43 -11.403 2.353 30.266 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -8.505 2.176 31.237 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -9.760 1.110 31.834 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -8.185 2.198 28.503 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -10.333 -1.034 30.129 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -8.304 0.384 26.709 1.00 0.00 H new ATOM 1482 N GLY A 44 -10.179 4.425 32.500 1.00 0.00 N ATOM 1483 CA GLY A 44 -10.590 5.110 33.760 1.00 0.00 C ATOM 1484 C GLY A 44 -10.613 4.119 34.928 1.00 0.00 C ATOM 1485 O GLY A 44 -11.076 4.440 36.006 1.00 0.00 O ATOM 0 H GLY A 44 -9.307 4.754 32.086 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -9.899 5.924 33.980 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -11.577 5.555 33.634 1.00 0.00 H new ATOM 1489 N VAL A 45 -10.118 2.923 34.732 1.00 0.00 N ATOM 1490 CA VAL A 45 -10.114 1.917 35.839 1.00 0.00 C ATOM 1491 C VAL A 45 -8.781 1.169 35.852 1.00 0.00 C ATOM 1492 O VAL A 45 -8.197 0.894 34.823 1.00 0.00 O ATOM 1493 CB VAL A 45 -11.252 0.913 35.638 1.00 0.00 C ATOM 1494 CG1 VAL A 45 -12.594 1.623 35.818 1.00 0.00 C ATOM 1495 CG2 VAL A 45 -11.178 0.317 34.231 1.00 0.00 C ATOM 0 H VAL A 45 -9.716 2.599 33.852 1.00 0.00 H new ATOM 0 HA VAL A 45 -10.252 2.436 36.787 1.00 0.00 H new ATOM 0 HB VAL A 45 -11.158 0.113 36.372 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -13.405 0.909 35.675 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -12.652 2.042 36.823 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -12.683 2.425 35.085 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -11.991 -0.397 34.095 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -11.268 1.114 33.493 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -10.223 -0.192 34.101 1.00 0.00 H new ATOM 1505 N VAL A 46 -8.294 0.847 37.018 1.00 0.00 N ATOM 1506 CA VAL A 46 -6.997 0.123 37.116 1.00 0.00 C ATOM 1507 C VAL A 46 -7.085 -1.205 36.365 1.00 0.00 C ATOM 1508 O VAL A 46 -8.113 -1.850 36.334 1.00 0.00 O ATOM 1509 CB VAL A 46 -6.672 -0.152 38.584 1.00 0.00 C ATOM 1510 CG1 VAL A 46 -6.628 1.170 39.352 1.00 0.00 C ATOM 1511 CG2 VAL A 46 -7.748 -1.060 39.184 1.00 0.00 C ATOM 0 H VAL A 46 -8.741 1.055 37.911 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.213 0.739 36.675 1.00 0.00 H new ATOM 0 HB VAL A 46 -5.703 -0.645 38.656 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -6.396 0.975 40.399 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.860 1.814 38.924 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -7.597 1.665 39.281 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -7.516 -1.256 40.231 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -8.719 -0.570 39.113 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -7.776 -2.002 38.636 1.00 0.00 H new ATOM 1521 N ARG A 47 -6.001 -1.622 35.772 1.00 0.00 N ATOM 1522 CA ARG A 47 -5.983 -2.913 35.029 1.00 0.00 C ATOM 1523 C ARG A 47 -4.552 -3.463 35.125 1.00 0.00 C ATOM 1524 O ARG A 47 -3.609 -2.726 34.921 1.00 0.00 O ATOM 1525 CB ARG A 47 -6.359 -2.644 33.563 1.00 0.00 C ATOM 1526 CG ARG A 47 -6.362 -3.941 32.735 1.00 0.00 C ATOM 1527 CD ARG A 47 -7.689 -4.691 32.906 1.00 0.00 C ATOM 1528 NE ARG A 47 -8.742 -4.057 32.062 1.00 0.00 N ATOM 1529 CZ ARG A 47 -9.819 -4.727 31.750 1.00 0.00 C ATOM 1530 NH1 ARG A 47 -9.942 -5.974 32.115 1.00 0.00 N ATOM 1531 NH2 ARG A 47 -10.766 -4.154 31.058 1.00 0.00 N ATOM 0 H ARG A 47 -5.115 -1.116 35.771 1.00 0.00 H new ATOM 0 HA ARG A 47 -6.692 -3.631 35.441 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -7.344 -2.180 33.518 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -5.653 -1.936 33.129 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -6.204 -3.706 31.682 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -5.535 -4.579 33.047 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -7.565 -5.736 32.624 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -7.992 -4.677 33.953 1.00 0.00 H new ATOM 0 HE ARG A 47 -8.621 -3.101 31.728 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -9.197 -6.426 32.644 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -10.783 -6.496 31.871 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -10.665 -3.183 30.761 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -11.607 -4.677 30.814 1.00 0.00 H new ATOM 1545 N PRO A 48 -4.368 -4.725 35.446 1.00 0.00 N ATOM 1546 CA PRO A 48 -3.010 -5.319 35.572 1.00 0.00 C ATOM 1547 C PRO A 48 -2.003 -4.719 34.591 1.00 0.00 C ATOM 1548 O PRO A 48 -2.048 -4.967 33.401 1.00 0.00 O ATOM 1549 CB PRO A 48 -3.261 -6.794 35.272 1.00 0.00 C ATOM 1550 CG PRO A 48 -4.617 -7.056 35.849 1.00 0.00 C ATOM 1551 CD PRO A 48 -5.406 -5.738 35.727 1.00 0.00 C ATOM 0 HA PRO A 48 -2.566 -5.134 36.550 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -3.238 -6.993 34.201 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -2.503 -7.429 35.730 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -5.119 -7.860 35.311 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -4.542 -7.368 36.891 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -6.143 -5.787 34.926 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -5.948 -5.511 36.645 1.00 0.00 H new ATOM 1559 N LEU A 49 -1.088 -3.938 35.091 1.00 0.00 N ATOM 1560 CA LEU A 49 -0.067 -3.325 34.202 1.00 0.00 C ATOM 1561 C LEU A 49 0.681 -4.460 33.492 1.00 0.00 C ATOM 1562 O LEU A 49 1.493 -4.240 32.615 1.00 0.00 O ATOM 1563 CB LEU A 49 0.899 -2.484 35.042 1.00 0.00 C ATOM 1564 CG LEU A 49 0.108 -1.461 35.871 1.00 0.00 C ATOM 1565 CD1 LEU A 49 1.072 -0.672 36.761 1.00 0.00 C ATOM 1566 CD2 LEU A 49 -0.645 -0.492 34.943 1.00 0.00 C ATOM 0 H LEU A 49 -1.004 -3.698 36.079 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.533 -2.673 33.463 1.00 0.00 H new ATOM 0 HB2 LEU A 49 1.480 -3.129 35.701 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.608 -1.970 34.393 1.00 0.00 H new ATOM 0 HG LEU A 49 -0.616 -1.990 36.491 1.00 0.00 H new ATOM 0 HD11 LEU A 49 0.512 0.054 37.350 1.00 0.00 H new ATOM 0 HD12 LEU A 49 1.593 -1.357 37.430 1.00 0.00 H new ATOM 0 HD13 LEU A 49 1.799 -0.151 36.138 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.202 0.228 35.543 1.00 0.00 H new ATOM 0 HD22 LEU A 49 0.070 0.037 34.312 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.337 -1.053 34.315 1.00 0.00 H new ATOM 1578 N SER A 50 0.406 -5.680 33.882 1.00 0.00 N ATOM 1579 CA SER A 50 1.082 -6.854 33.256 1.00 0.00 C ATOM 1580 C SER A 50 0.770 -6.912 31.759 1.00 0.00 C ATOM 1581 O SER A 50 1.378 -7.663 31.023 1.00 0.00 O ATOM 1582 CB SER A 50 0.590 -8.145 33.916 1.00 0.00 C ATOM 1583 OG SER A 50 0.946 -8.134 35.291 1.00 0.00 O ATOM 0 H SER A 50 -0.265 -5.913 34.614 1.00 0.00 H new ATOM 0 HA SER A 50 2.158 -6.750 33.396 1.00 0.00 H new ATOM 0 HB2 SER A 50 -0.491 -8.233 33.809 1.00 0.00 H new ATOM 0 HB3 SER A 50 1.030 -9.011 33.421 1.00 0.00 H new ATOM 0 HG SER A 50 0.631 -8.958 35.717 1.00 0.00 H new ATOM 1589 N LEU A 51 -0.168 -6.131 31.292 1.00 0.00 N ATOM 1590 CA LEU A 51 -0.488 -6.165 29.836 1.00 0.00 C ATOM 1591 C LEU A 51 0.674 -5.550 29.060 1.00 0.00 C ATOM 1592 O LEU A 51 0.948 -5.920 27.935 1.00 0.00 O ATOM 1593 CB LEU A 51 -1.745 -5.345 29.546 1.00 0.00 C ATOM 1594 CG LEU A 51 -2.985 -6.042 30.113 1.00 0.00 C ATOM 1595 CD1 LEU A 51 -4.184 -5.099 29.970 1.00 0.00 C ATOM 1596 CD2 LEU A 51 -3.255 -7.359 29.358 1.00 0.00 C ATOM 0 H LEU A 51 -0.720 -5.479 31.848 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.653 -7.200 29.536 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.647 -4.352 29.984 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.857 -5.209 28.470 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.822 -6.281 31.164 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -5.076 -5.581 30.370 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -3.991 -4.179 30.522 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -4.339 -4.865 28.917 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -4.140 -7.842 29.773 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -3.420 -7.146 28.302 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.396 -8.022 29.464 1.00 0.00 H new ATOM 1608 N LYS A 52 1.359 -4.611 29.651 1.00 0.00 N ATOM 1609 CA LYS A 52 2.499 -3.971 28.944 1.00 0.00 C ATOM 1610 C LYS A 52 3.499 -5.037 28.503 1.00 0.00 C ATOM 1611 O LYS A 52 3.553 -6.122 29.044 1.00 0.00 O ATOM 1612 CB LYS A 52 3.203 -2.972 29.860 1.00 0.00 C ATOM 1613 CG LYS A 52 4.402 -2.381 29.112 1.00 0.00 C ATOM 1614 CD LYS A 52 4.967 -1.180 29.868 1.00 0.00 C ATOM 1615 CE LYS A 52 5.712 -1.657 31.119 1.00 0.00 C ATOM 1616 NZ LYS A 52 6.456 -0.517 31.719 1.00 0.00 N ATOM 0 H LYS A 52 1.178 -4.261 30.592 1.00 0.00 H new ATOM 0 HA LYS A 52 2.112 -3.444 28.072 1.00 0.00 H new ATOM 0 HB2 LYS A 52 2.515 -2.180 30.156 1.00 0.00 H new ATOM 0 HB3 LYS A 52 3.534 -3.465 30.774 1.00 0.00 H new ATOM 0 HG2 LYS A 52 5.175 -3.141 28.995 1.00 0.00 H new ATOM 0 HG3 LYS A 52 4.099 -2.077 28.110 1.00 0.00 H new ATOM 0 HD2 LYS A 52 5.643 -0.618 29.223 1.00 0.00 H new ATOM 0 HD3 LYS A 52 4.160 -0.504 30.150 1.00 0.00 H new ATOM 0 HE2 LYS A 52 5.006 -2.065 31.842 1.00 0.00 H new ATOM 0 HE3 LYS A 52 6.403 -2.460 30.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 6.410 -0.580 32.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 7.450 -0.552 31.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 6.029 0.379 31.407 1.00 0.00 H new ATOM 1630 N THR A 53 4.311 -4.713 27.534 1.00 0.00 N ATOM 1631 CA THR A 53 5.340 -5.679 27.057 1.00 0.00 C ATOM 1632 C THR A 53 6.583 -4.921 26.602 1.00 0.00 C ATOM 1633 O THR A 53 6.521 -3.771 26.213 1.00 0.00 O ATOM 1634 CB THR A 53 4.802 -6.488 25.880 1.00 0.00 C ATOM 1635 OG1 THR A 53 5.884 -7.139 25.229 1.00 0.00 O ATOM 1636 CG2 THR A 53 4.085 -5.562 24.892 1.00 0.00 C ATOM 0 H THR A 53 4.305 -3.815 27.050 1.00 0.00 H new ATOM 0 HA THR A 53 5.590 -6.352 27.877 1.00 0.00 H new ATOM 0 HB THR A 53 4.092 -7.231 26.244 1.00 0.00 H new ATOM 0 HG1 THR A 53 5.544 -7.662 24.473 1.00 0.00 H new ATOM 0 HG21 THR A 53 3.704 -6.148 24.055 1.00 0.00 H new ATOM 0 HG22 THR A 53 3.255 -5.066 25.395 1.00 0.00 H new ATOM 0 HG23 THR A 53 4.785 -4.813 24.522 1.00 0.00 H new ATOM 1644 N ASP A 54 7.712 -5.566 26.647 1.00 0.00 N ATOM 1645 CA ASP A 54 8.977 -4.907 26.216 1.00 0.00 C ATOM 1646 C ASP A 54 9.126 -5.070 24.704 1.00 0.00 C ATOM 1647 O ASP A 54 10.002 -4.495 24.088 1.00 0.00 O ATOM 1648 CB ASP A 54 10.156 -5.575 26.927 1.00 0.00 C ATOM 1649 CG ASP A 54 10.188 -5.135 28.392 1.00 0.00 C ATOM 1650 OD1 ASP A 54 9.688 -4.060 28.680 1.00 0.00 O ATOM 1651 OD2 ASP A 54 10.711 -5.883 29.201 1.00 0.00 O ATOM 0 H ASP A 54 7.816 -6.529 26.966 1.00 0.00 H new ATOM 0 HA ASP A 54 8.957 -3.847 26.469 1.00 0.00 H new ATOM 0 HB2 ASP A 54 10.064 -6.659 26.864 1.00 0.00 H new ATOM 0 HB3 ASP A 54 11.091 -5.305 26.435 1.00 0.00 H new ATOM 1656 N VAL A 55 8.260 -5.843 24.104 1.00 0.00 N ATOM 1657 CA VAL A 55 8.305 -6.057 22.627 1.00 0.00 C ATOM 1658 C VAL A 55 7.099 -5.357 21.999 1.00 0.00 C ATOM 1659 O VAL A 55 5.972 -5.588 22.388 1.00 0.00 O ATOM 1660 CB VAL A 55 8.237 -7.560 22.339 1.00 0.00 C ATOM 1661 CG1 VAL A 55 8.273 -7.802 20.829 1.00 0.00 C ATOM 1662 CG2 VAL A 55 9.437 -8.251 22.991 1.00 0.00 C ATOM 0 H VAL A 55 7.511 -6.343 24.583 1.00 0.00 H new ATOM 0 HA VAL A 55 9.227 -5.651 22.210 1.00 0.00 H new ATOM 0 HB VAL A 55 7.310 -7.964 22.745 1.00 0.00 H new ATOM 0 HG11 VAL A 55 8.224 -8.873 20.631 1.00 0.00 H new ATOM 0 HG12 VAL A 55 7.422 -7.307 20.361 1.00 0.00 H new ATOM 0 HG13 VAL A 55 9.198 -7.399 20.418 1.00 0.00 H new ATOM 0 HG21 VAL A 55 9.394 -9.321 22.790 1.00 0.00 H new ATOM 0 HG22 VAL A 55 10.360 -7.841 22.581 1.00 0.00 H new ATOM 0 HG23 VAL A 55 9.413 -8.083 24.068 1.00 0.00 H new ATOM 1672 N ILE A 56 7.330 -4.495 21.040 1.00 0.00 N ATOM 1673 CA ILE A 56 6.207 -3.757 20.381 1.00 0.00 C ATOM 1674 C ILE A 56 6.143 -4.122 18.898 1.00 0.00 C ATOM 1675 O ILE A 56 7.137 -4.116 18.200 1.00 0.00 O ATOM 1676 CB ILE A 56 6.424 -2.250 20.540 1.00 0.00 C ATOM 1677 CG1 ILE A 56 6.447 -1.909 22.033 1.00 0.00 C ATOM 1678 CG2 ILE A 56 5.284 -1.491 19.854 1.00 0.00 C ATOM 1679 CD1 ILE A 56 6.885 -0.457 22.236 1.00 0.00 C ATOM 0 H ILE A 56 8.258 -4.269 20.682 1.00 0.00 H new ATOM 0 HA ILE A 56 5.265 -4.037 20.853 1.00 0.00 H new ATOM 0 HB ILE A 56 7.369 -1.961 20.081 1.00 0.00 H new ATOM 0 HG12 ILE A 56 5.457 -2.062 22.464 1.00 0.00 H new ATOM 0 HG13 ILE A 56 7.129 -2.579 22.556 1.00 0.00 H new ATOM 0 HG21 ILE A 56 5.440 -0.418 19.968 1.00 0.00 H new ATOM 0 HG22 ILE A 56 5.265 -1.744 18.794 1.00 0.00 H new ATOM 0 HG23 ILE A 56 4.334 -1.770 20.311 1.00 0.00 H new ATOM 0 HD11 ILE A 56 6.897 -0.226 23.301 1.00 0.00 H new ATOM 0 HD12 ILE A 56 7.884 -0.317 21.823 1.00 0.00 H new ATOM 0 HD13 ILE A 56 6.186 0.208 21.729 1.00 0.00 H new ATOM 1691 N LYS A 57 4.975 -4.445 18.416 1.00 0.00 N ATOM 1692 CA LYS A 57 4.834 -4.816 16.981 1.00 0.00 C ATOM 1693 C LYS A 57 5.016 -3.564 16.120 1.00 0.00 C ATOM 1694 O LYS A 57 4.318 -2.583 16.279 1.00 0.00 O ATOM 1695 CB LYS A 57 3.436 -5.396 16.740 1.00 0.00 C ATOM 1696 CG LYS A 57 3.370 -6.056 15.351 1.00 0.00 C ATOM 1697 CD LYS A 57 3.837 -7.525 15.432 1.00 0.00 C ATOM 1698 CE LYS A 57 2.637 -8.448 15.671 1.00 0.00 C ATOM 1699 NZ LYS A 57 3.116 -9.835 15.921 1.00 0.00 N ATOM 0 H LYS A 57 4.110 -4.468 18.956 1.00 0.00 H new ATOM 0 HA LYS A 57 5.587 -5.559 16.718 1.00 0.00 H new ATOM 0 HB2 LYS A 57 3.200 -6.129 17.511 1.00 0.00 H new ATOM 0 HB3 LYS A 57 2.689 -4.606 16.812 1.00 0.00 H new ATOM 0 HG2 LYS A 57 2.350 -6.012 14.968 1.00 0.00 H new ATOM 0 HG3 LYS A 57 3.998 -5.506 14.650 1.00 0.00 H new ATOM 0 HD2 LYS A 57 4.343 -7.805 14.508 1.00 0.00 H new ATOM 0 HD3 LYS A 57 4.561 -7.640 16.239 1.00 0.00 H new ATOM 0 HE2 LYS A 57 2.057 -8.094 16.523 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.975 -8.432 14.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 2.301 -10.460 16.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 3.652 -10.171 15.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 3.731 -9.844 16.760 1.00 0.00 H new ATOM 1713 N LYS A 58 5.950 -3.588 15.210 1.00 0.00 N ATOM 1714 CA LYS A 58 6.177 -2.397 14.343 1.00 0.00 C ATOM 1715 C LYS A 58 5.182 -2.403 13.185 1.00 0.00 C ATOM 1716 O LYS A 58 4.993 -3.403 12.523 1.00 0.00 O ATOM 1717 CB LYS A 58 7.597 -2.445 13.780 1.00 0.00 C ATOM 1718 CG LYS A 58 8.605 -2.213 14.905 1.00 0.00 C ATOM 1719 CD LYS A 58 10.021 -2.271 14.334 1.00 0.00 C ATOM 1720 CE LYS A 58 11.035 -2.120 15.469 1.00 0.00 C ATOM 1721 NZ LYS A 58 11.006 -3.346 16.317 1.00 0.00 N ATOM 0 H LYS A 58 6.566 -4.381 15.029 1.00 0.00 H new ATOM 0 HA LYS A 58 6.041 -1.492 14.935 1.00 0.00 H new ATOM 0 HB2 LYS A 58 7.779 -3.411 13.309 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.718 -1.686 13.008 1.00 0.00 H new ATOM 0 HG2 LYS A 58 8.429 -1.244 15.373 1.00 0.00 H new ATOM 0 HG3 LYS A 58 8.482 -2.969 15.681 1.00 0.00 H new ATOM 0 HD2 LYS A 58 10.177 -3.217 13.816 1.00 0.00 H new ATOM 0 HD3 LYS A 58 10.161 -1.478 13.599 1.00 0.00 H new ATOM 0 HE2 LYS A 58 12.035 -1.968 15.062 1.00 0.00 H new ATOM 0 HE3 LYS A 58 10.799 -1.242 16.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 11.881 -3.402 16.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 10.188 -3.306 16.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 10.929 -4.187 15.709 1.00 0.00 H new ATOM 1735 N ARG A 59 4.545 -1.289 12.936 1.00 0.00 N ATOM 1736 CA ARG A 59 3.557 -1.209 11.821 1.00 0.00 C ATOM 1737 C ARG A 59 4.204 -0.482 10.643 1.00 0.00 C ATOM 1738 O ARG A 59 5.298 0.038 10.746 1.00 0.00 O ATOM 1739 CB ARG A 59 2.330 -0.434 12.294 1.00 0.00 C ATOM 1740 CG ARG A 59 1.627 -1.228 13.397 1.00 0.00 C ATOM 1741 CD ARG A 59 0.413 -0.446 13.901 1.00 0.00 C ATOM 1742 NE ARG A 59 -0.590 -0.312 12.809 1.00 0.00 N ATOM 1743 CZ ARG A 59 -1.820 0.020 13.094 1.00 0.00 C ATOM 1744 NH1 ARG A 59 -2.172 0.215 14.335 1.00 0.00 N ATOM 1745 NH2 ARG A 59 -2.699 0.153 12.137 1.00 0.00 N ATOM 0 H ARG A 59 4.668 -0.424 13.462 1.00 0.00 H new ATOM 0 HA ARG A 59 3.254 -2.210 11.513 1.00 0.00 H new ATOM 0 HB2 ARG A 59 2.626 0.546 12.668 1.00 0.00 H new ATOM 0 HB3 ARG A 59 1.648 -0.265 11.460 1.00 0.00 H new ATOM 0 HG2 ARG A 59 1.313 -2.200 13.015 1.00 0.00 H new ATOM 0 HG3 ARG A 59 2.317 -1.416 14.219 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -0.032 -0.957 14.755 1.00 0.00 H new ATOM 0 HD3 ARG A 59 0.722 0.541 14.246 1.00 0.00 H new ATOM 0 HE ARG A 59 -0.317 -0.479 11.841 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -1.486 0.108 15.082 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -3.133 0.474 14.558 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -2.424 -0.003 11.167 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -3.660 0.412 12.360 1.00 0.00 H new ATOM 1759 N ASN A 60 3.562 -0.494 9.511 1.00 0.00 N ATOM 1760 CA ASN A 60 4.160 0.139 8.301 1.00 0.00 C ATOM 1761 C ASN A 60 4.191 1.664 8.426 1.00 0.00 C ATOM 1762 O ASN A 60 3.844 2.234 9.442 1.00 0.00 O ATOM 1763 CB ASN A 60 3.335 -0.255 7.074 1.00 0.00 C ATOM 1764 CG ASN A 60 1.933 0.342 7.192 1.00 0.00 C ATOM 1765 OD1 ASN A 60 1.483 0.658 8.276 1.00 0.00 O ATOM 1766 ND2 ASN A 60 1.218 0.513 6.112 1.00 0.00 N ATOM 0 H ASN A 60 2.644 -0.916 9.369 1.00 0.00 H new ATOM 0 HA ASN A 60 5.187 -0.212 8.199 1.00 0.00 H new ATOM 0 HB2 ASN A 60 3.820 0.103 6.166 1.00 0.00 H new ATOM 0 HB3 ASN A 60 3.275 -1.341 6.996 1.00 0.00 H new ATOM 0 HD21 ASN A 60 0.282 0.912 6.178 1.00 0.00 H new ATOM 0 HD22 ASN A 60 1.596 0.248 5.203 1.00 0.00 H new