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 17 THR OG1 : rot -150:sc= -0.0411 USER MOD Set 1.2: A 52 LYS NZ :NH3+ -165:sc= -1.67 (180deg=-2.63) USER MOD Set 2.1: A 12 CYS SG : rot 158:sc= -0.9! USER MOD Set 2.2: A 15 CYS SG : rot -60:sc= -4.47! USER MOD Set 2.3: A 20 THR OG1 : rot -126:sc= -1.31 USER MOD Set 2.4: A 33 CYS SG : rot -130:sc= 0.0858 USER MOD Set 2.5: A 34 ASN : amide:sc= -3.32! C(o=-9.7!,f=-21!) USER MOD Set 2.6: A 36 CYS SG : rot 93:sc= 0.195 USER MOD Set 3.1: A 18 GLN : amide:sc= -5.4! C(o=-7!,f=-4.8!) USER MOD Set 3.2: A 19 THR OG1 : rot 180:sc= -1.64 USER MOD Set 4.1: A 13 THR OG1 : rot 140:sc= 0.00482 USER MOD Set 4.2: A 30 GLN : amide:sc= 0 K(o=0.0048,f=-1.1) USER MOD Single : A 10 THR OG1 : rot 40:sc= 0.05 USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.0141 USER MOD Single : A 14 ASN : amide:sc= -3.71! C(o=-3.7!,f=-4.6!) USER MOD Single : A 26 ASN : amide:sc= -3.12! K(o=-3.1!,f=-2.1) USER MOD Single : A 41 LYS NZ :NH3+ -158:sc= -0.522 (180deg=-1.18) USER MOD Single : A 43 HIS : no HE2:sc= -7.38! C(o=-7.4!,f=-10!) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.559 USER MOD Single : A 57 LYS NZ :NH3+ 158:sc= -0.158 (180deg=-0.822) USER MOD Single : A 58 LYS NZ :NH3+ -157:sc= -0.0852 (180deg=-0.566) USER MOD Single : A 60 ASN : amide:sc= -5.42! K(o=-5.4!,f=-0.87) USER MOD ----------------------------------------------------------------- ATOM 955 N THR A 10 12.107 12.747 31.794 1.00 0.00 N ATOM 956 CA THR A 10 10.797 12.201 31.333 1.00 0.00 C ATOM 957 C THR A 10 10.703 10.709 31.653 1.00 0.00 C ATOM 958 O THR A 10 11.498 9.912 31.196 1.00 0.00 O ATOM 959 CB THR A 10 10.673 12.398 29.820 1.00 0.00 C ATOM 960 OG1 THR A 10 10.651 13.786 29.523 1.00 0.00 O ATOM 961 CG2 THR A 10 9.386 11.742 29.314 1.00 0.00 C ATOM 0 HA THR A 10 9.993 12.727 31.847 1.00 0.00 H new ATOM 0 HB THR A 10 11.527 11.935 29.326 1.00 0.00 H new ATOM 0 HG1 THR A 10 11.293 14.254 30.097 1.00 0.00 H new ATOM 0 HG21 THR A 10 9.304 11.886 28.237 1.00 0.00 H new ATOM 0 HG22 THR A 10 9.409 10.675 29.537 1.00 0.00 H new ATOM 0 HG23 THR A 10 8.527 12.197 29.807 1.00 0.00 H new ATOM 969 N THR A 11 9.725 10.325 32.430 1.00 0.00 N ATOM 970 CA THR A 11 9.557 8.885 32.782 1.00 0.00 C ATOM 971 C THR A 11 8.064 8.583 32.952 1.00 0.00 C ATOM 972 O THR A 11 7.326 9.379 33.497 1.00 0.00 O ATOM 973 CB THR A 11 10.297 8.598 34.088 1.00 0.00 C ATOM 974 OG1 THR A 11 11.678 8.890 33.922 1.00 0.00 O ATOM 975 CG2 THR A 11 10.126 7.126 34.461 1.00 0.00 C ATOM 0 H THR A 11 9.031 10.951 32.838 1.00 0.00 H new ATOM 0 HA THR A 11 9.966 8.256 31.991 1.00 0.00 H new ATOM 0 HB THR A 11 9.887 9.221 34.883 1.00 0.00 H new ATOM 0 HG1 THR A 11 12.154 8.708 34.759 1.00 0.00 H new ATOM 0 HG21 THR A 11 10.654 6.923 35.393 1.00 0.00 H new ATOM 0 HG22 THR A 11 9.067 6.904 34.589 1.00 0.00 H new ATOM 0 HG23 THR A 11 10.535 6.500 33.668 1.00 0.00 H new ATOM 983 N CYS A 12 7.606 7.450 32.494 1.00 0.00 N ATOM 984 CA CYS A 12 6.156 7.133 32.644 1.00 0.00 C ATOM 985 C CYS A 12 5.835 6.877 34.119 1.00 0.00 C ATOM 986 O CYS A 12 6.215 5.870 34.686 1.00 0.00 O ATOM 987 CB CYS A 12 5.802 5.900 31.814 1.00 0.00 C ATOM 988 SG CYS A 12 4.015 5.880 31.540 1.00 0.00 S ATOM 0 H CYS A 12 8.166 6.736 32.027 1.00 0.00 H new ATOM 0 HA CYS A 12 5.567 7.979 32.289 1.00 0.00 H new ATOM 0 HB2 CYS A 12 6.330 5.922 30.861 1.00 0.00 H new ATOM 0 HB3 CYS A 12 6.115 4.993 32.332 1.00 0.00 H new ATOM 0 HG CYS A 12 3.745 5.164 30.489 1.00 0.00 H new ATOM 993 N THR A 13 5.111 7.776 34.729 1.00 0.00 N ATOM 994 CA THR A 13 4.742 7.609 36.163 1.00 0.00 C ATOM 995 C THR A 13 3.789 6.424 36.322 1.00 0.00 C ATOM 996 O THR A 13 3.499 5.998 37.422 1.00 0.00 O ATOM 997 CB THR A 13 4.050 8.880 36.666 1.00 0.00 C ATOM 998 OG1 THR A 13 3.044 9.266 35.741 1.00 0.00 O ATOM 999 CG2 THR A 13 5.073 10.007 36.814 1.00 0.00 C ATOM 0 H THR A 13 4.757 8.626 34.291 1.00 0.00 H new ATOM 0 HA THR A 13 5.647 7.427 36.743 1.00 0.00 H new ATOM 0 HB THR A 13 3.596 8.683 37.637 1.00 0.00 H new ATOM 0 HG1 THR A 13 2.253 9.577 36.229 1.00 0.00 H new ATOM 0 HG21 THR A 13 4.573 10.907 37.172 1.00 0.00 H new ATOM 0 HG22 THR A 13 5.841 9.710 37.528 1.00 0.00 H new ATOM 0 HG23 THR A 13 5.535 10.208 35.847 1.00 0.00 H new ATOM 1007 N ASN A 14 3.290 5.891 35.236 1.00 0.00 N ATOM 1008 CA ASN A 14 2.346 4.737 35.331 1.00 0.00 C ATOM 1009 C ASN A 14 3.087 3.419 35.083 1.00 0.00 C ATOM 1010 O ASN A 14 2.789 2.426 35.717 1.00 0.00 O ATOM 1011 CB ASN A 14 1.230 4.890 34.289 1.00 0.00 C ATOM 1012 CG ASN A 14 0.210 5.928 34.765 1.00 0.00 C ATOM 1013 OD1 ASN A 14 0.307 6.434 35.866 1.00 0.00 O ATOM 1014 ND2 ASN A 14 -0.780 6.257 33.980 1.00 0.00 N ATOM 0 H ASN A 14 3.496 6.205 34.288 1.00 0.00 H new ATOM 0 HA ASN A 14 1.916 4.724 36.333 1.00 0.00 H new ATOM 0 HB2 ASN A 14 1.653 5.196 33.332 1.00 0.00 H new ATOM 0 HB3 ASN A 14 0.738 3.931 34.128 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -1.472 6.939 34.291 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -0.861 5.832 33.056 1.00 0.00 H new ATOM 1021 N CYS A 15 4.019 3.372 34.154 1.00 0.00 N ATOM 1022 CA CYS A 15 4.726 2.077 33.870 1.00 0.00 C ATOM 1023 C CYS A 15 6.247 2.276 33.784 1.00 0.00 C ATOM 1024 O CYS A 15 6.978 1.343 33.511 1.00 0.00 O ATOM 1025 CB CYS A 15 4.182 1.480 32.564 1.00 0.00 C ATOM 1026 SG CYS A 15 4.914 2.298 31.127 1.00 0.00 S ATOM 0 H CYS A 15 4.318 4.165 33.586 1.00 0.00 H new ATOM 0 HA CYS A 15 4.537 1.387 34.692 1.00 0.00 H new ATOM 0 HB2 CYS A 15 4.399 0.412 32.529 1.00 0.00 H new ATOM 0 HB3 CYS A 15 3.098 1.586 32.535 1.00 0.00 H new ATOM 0 HG CYS A 15 4.636 3.567 31.162 1.00 0.00 H new ATOM 1031 N PHE A 16 6.738 3.461 34.045 1.00 0.00 N ATOM 1032 CA PHE A 16 8.214 3.714 34.025 1.00 0.00 C ATOM 1033 C PHE A 16 8.867 3.355 32.680 1.00 0.00 C ATOM 1034 O PHE A 16 10.075 3.392 32.557 1.00 0.00 O ATOM 1035 CB PHE A 16 8.887 2.913 35.147 1.00 0.00 C ATOM 1036 CG PHE A 16 8.423 3.428 36.492 1.00 0.00 C ATOM 1037 CD1 PHE A 16 9.121 4.468 37.121 1.00 0.00 C ATOM 1038 CD2 PHE A 16 7.299 2.866 37.111 1.00 0.00 C ATOM 1039 CE1 PHE A 16 8.695 4.945 38.367 1.00 0.00 C ATOM 1040 CE2 PHE A 16 6.874 3.343 38.358 1.00 0.00 C ATOM 1041 CZ PHE A 16 7.572 4.382 38.986 1.00 0.00 C ATOM 0 H PHE A 16 6.171 4.277 34.275 1.00 0.00 H new ATOM 0 HA PHE A 16 8.355 4.784 34.175 1.00 0.00 H new ATOM 0 HB2 PHE A 16 8.643 1.855 35.048 1.00 0.00 H new ATOM 0 HB3 PHE A 16 9.971 2.999 35.068 1.00 0.00 H new ATOM 0 HD1 PHE A 16 9.988 4.902 36.645 1.00 0.00 H new ATOM 0 HD2 PHE A 16 6.760 2.065 36.627 1.00 0.00 H new ATOM 0 HE1 PHE A 16 9.233 5.747 38.851 1.00 0.00 H new ATOM 0 HE2 PHE A 16 6.008 2.909 38.835 1.00 0.00 H new ATOM 0 HZ PHE A 16 7.244 4.749 39.947 1.00 0.00 H new ATOM 1051 N THR A 17 8.118 2.984 31.679 1.00 0.00 N ATOM 1052 CA THR A 17 8.760 2.606 30.379 1.00 0.00 C ATOM 1053 C THR A 17 9.428 3.820 29.718 1.00 0.00 C ATOM 1054 O THR A 17 8.841 4.878 29.603 1.00 0.00 O ATOM 1055 CB THR A 17 7.686 2.055 29.434 1.00 0.00 C ATOM 1056 OG1 THR A 17 8.309 1.427 28.322 1.00 0.00 O ATOM 1057 CG2 THR A 17 6.784 3.192 28.942 1.00 0.00 C ATOM 0 H THR A 17 7.100 2.925 31.699 1.00 0.00 H new ATOM 0 HA THR A 17 9.524 1.854 30.576 1.00 0.00 H new ATOM 0 HB THR A 17 7.078 1.327 29.972 1.00 0.00 H new ATOM 0 HG1 THR A 17 7.728 1.502 27.536 1.00 0.00 H new ATOM 0 HG21 THR A 17 6.025 2.790 28.271 1.00 0.00 H new ATOM 0 HG22 THR A 17 6.300 3.667 29.795 1.00 0.00 H new ATOM 0 HG23 THR A 17 7.385 3.929 28.409 1.00 0.00 H new ATOM 1065 N GLN A 18 10.645 3.662 29.259 1.00 0.00 N ATOM 1066 CA GLN A 18 11.357 4.787 28.576 1.00 0.00 C ATOM 1067 C GLN A 18 11.306 4.573 27.063 1.00 0.00 C ATOM 1068 O GLN A 18 11.779 5.390 26.297 1.00 0.00 O ATOM 1069 CB GLN A 18 12.819 4.827 29.034 1.00 0.00 C ATOM 1070 CG GLN A 18 13.567 3.577 28.542 1.00 0.00 C ATOM 1071 CD GLN A 18 14.033 3.768 27.094 1.00 0.00 C ATOM 1072 OE1 GLN A 18 14.181 4.882 26.630 1.00 0.00 O ATOM 1073 NE2 GLN A 18 14.270 2.719 26.355 1.00 0.00 N ATOM 0 H GLN A 18 11.179 2.796 29.329 1.00 0.00 H new ATOM 0 HA GLN A 18 10.873 5.730 28.831 1.00 0.00 H new ATOM 0 HB2 GLN A 18 13.303 5.724 28.649 1.00 0.00 H new ATOM 0 HB3 GLN A 18 12.865 4.882 30.122 1.00 0.00 H new ATOM 0 HG2 GLN A 18 14.426 3.383 29.184 1.00 0.00 H new ATOM 0 HG3 GLN A 18 12.916 2.706 28.609 1.00 0.00 H new ATOM 0 HE21 GLN A 18 14.146 1.784 26.743 1.00 0.00 H new ATOM 0 HE22 GLN A 18 14.579 2.834 25.390 1.00 0.00 H new ATOM 1082 N THR A 19 10.745 3.475 26.628 1.00 0.00 N ATOM 1083 CA THR A 19 10.669 3.190 25.162 1.00 0.00 C ATOM 1084 C THR A 19 9.254 3.480 24.658 1.00 0.00 C ATOM 1085 O THR A 19 8.315 2.780 24.981 1.00 0.00 O ATOM 1086 CB THR A 19 10.997 1.712 24.928 1.00 0.00 C ATOM 1087 OG1 THR A 19 12.250 1.404 25.524 1.00 0.00 O ATOM 1088 CG2 THR A 19 11.063 1.430 23.426 1.00 0.00 C ATOM 0 H THR A 19 10.334 2.759 27.227 1.00 0.00 H new ATOM 0 HA THR A 19 11.379 3.819 24.626 1.00 0.00 H new ATOM 0 HB THR A 19 10.219 1.095 25.377 1.00 0.00 H new ATOM 0 HG1 THR A 19 12.459 0.458 25.375 1.00 0.00 H new ATOM 0 HG21 THR A 19 11.297 0.378 23.263 1.00 0.00 H new ATOM 0 HG22 THR A 19 10.101 1.663 22.969 1.00 0.00 H new ATOM 0 HG23 THR A 19 11.839 2.048 22.974 1.00 0.00 H new ATOM 1096 N THR A 20 9.091 4.505 23.863 1.00 0.00 N ATOM 1097 CA THR A 20 7.733 4.825 23.342 1.00 0.00 C ATOM 1098 C THR A 20 7.843 5.809 22.164 1.00 0.00 C ATOM 1099 O THR A 20 8.730 6.638 22.142 1.00 0.00 O ATOM 1100 CB THR A 20 6.916 5.461 24.467 1.00 0.00 C ATOM 1101 OG1 THR A 20 5.685 5.939 23.947 1.00 0.00 O ATOM 1102 CG2 THR A 20 7.704 6.624 25.073 1.00 0.00 C ATOM 0 H THR A 20 9.836 5.130 23.554 1.00 0.00 H new ATOM 0 HA THR A 20 7.246 3.914 22.995 1.00 0.00 H new ATOM 0 HB THR A 20 6.717 4.717 25.238 1.00 0.00 H new ATOM 0 HG1 THR A 20 5.580 6.887 24.174 1.00 0.00 H new ATOM 0 HG21 THR A 20 7.123 7.078 25.875 1.00 0.00 H new ATOM 0 HG22 THR A 20 8.648 6.254 25.473 1.00 0.00 H new ATOM 0 HG23 THR A 20 7.903 7.369 24.303 1.00 0.00 H new ATOM 1110 N PRO A 21 6.956 5.740 21.195 1.00 0.00 N ATOM 1111 CA PRO A 21 6.979 6.666 20.022 1.00 0.00 C ATOM 1112 C PRO A 21 6.288 8.006 20.312 1.00 0.00 C ATOM 1113 O PRO A 21 6.453 8.966 19.586 1.00 0.00 O ATOM 1114 CB PRO A 21 6.195 5.886 18.968 1.00 0.00 C ATOM 1115 CG PRO A 21 5.159 5.160 19.759 1.00 0.00 C ATOM 1116 CD PRO A 21 5.838 4.780 21.082 1.00 0.00 C ATOM 0 HA PRO A 21 7.994 6.933 19.728 1.00 0.00 H new ATOM 0 HB2 PRO A 21 5.743 6.551 18.232 1.00 0.00 H new ATOM 0 HB3 PRO A 21 6.837 5.196 18.421 1.00 0.00 H new ATOM 0 HG2 PRO A 21 4.287 5.790 19.933 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.811 4.274 19.229 1.00 0.00 H new ATOM 0 HD2 PRO A 21 5.150 4.866 21.923 1.00 0.00 H new ATOM 0 HD3 PRO A 21 6.195 3.750 21.067 1.00 0.00 H new ATOM 1124 N LEU A 22 5.505 8.079 21.356 1.00 0.00 N ATOM 1125 CA LEU A 22 4.796 9.356 21.671 1.00 0.00 C ATOM 1126 C LEU A 22 4.525 9.438 23.176 1.00 0.00 C ATOM 1127 O LEU A 22 3.859 8.603 23.757 1.00 0.00 O ATOM 1128 CB LEU A 22 3.479 9.398 20.885 1.00 0.00 C ATOM 1129 CG LEU A 22 2.626 10.605 21.302 1.00 0.00 C ATOM 1130 CD1 LEU A 22 3.442 11.899 21.208 1.00 0.00 C ATOM 1131 CD2 LEU A 22 1.415 10.709 20.366 1.00 0.00 C ATOM 0 H LEU A 22 5.325 7.312 22.004 1.00 0.00 H new ATOM 0 HA LEU A 22 5.413 10.208 21.385 1.00 0.00 H new ATOM 0 HB2 LEU A 22 3.691 9.450 19.817 1.00 0.00 H new ATOM 0 HB3 LEU A 22 2.921 8.478 21.055 1.00 0.00 H new ATOM 0 HG LEU A 22 2.300 10.467 22.333 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.821 12.743 21.507 1.00 0.00 H new ATOM 0 HD12 LEU A 22 4.307 11.833 21.868 1.00 0.00 H new ATOM 0 HD13 LEU A 22 3.779 12.043 20.182 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.804 11.564 20.655 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.758 10.839 19.340 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.821 9.798 20.437 1.00 0.00 H new ATOM 1143 N TRP A 23 5.065 10.448 23.800 1.00 0.00 N ATOM 1144 CA TRP A 23 4.885 10.623 25.269 1.00 0.00 C ATOM 1145 C TRP A 23 3.542 11.305 25.543 1.00 0.00 C ATOM 1146 O TRP A 23 3.209 12.304 24.938 1.00 0.00 O ATOM 1147 CB TRP A 23 6.025 11.484 25.822 1.00 0.00 C ATOM 1148 CG TRP A 23 7.266 10.658 25.974 1.00 0.00 C ATOM 1149 CD1 TRP A 23 8.295 10.628 25.097 1.00 0.00 C ATOM 1150 CD2 TRP A 23 7.622 9.752 27.056 1.00 0.00 C ATOM 1151 NE1 TRP A 23 9.264 9.764 25.576 1.00 0.00 N ATOM 1152 CE2 TRP A 23 8.896 9.200 26.780 1.00 0.00 C ATOM 1153 CE3 TRP A 23 6.971 9.363 28.238 1.00 0.00 C ATOM 1154 CZ2 TRP A 23 9.501 8.291 27.653 1.00 0.00 C ATOM 1155 CZ3 TRP A 23 7.575 8.450 29.115 1.00 0.00 C ATOM 1156 CH2 TRP A 23 8.836 7.916 28.825 1.00 0.00 C ATOM 0 H TRP A 23 5.630 11.168 23.349 1.00 0.00 H new ATOM 0 HA TRP A 23 4.898 9.648 25.757 1.00 0.00 H new ATOM 0 HB2 TRP A 23 6.216 12.322 25.152 1.00 0.00 H new ATOM 0 HB3 TRP A 23 5.739 11.905 26.786 1.00 0.00 H new ATOM 0 HD1 TRP A 23 8.351 11.187 24.174 1.00 0.00 H new ATOM 0 HE1 TRP A 23 10.143 9.568 25.097 1.00 0.00 H new ATOM 0 HE3 TRP A 23 5.999 9.770 28.473 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 10.474 7.882 27.424 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 7.064 8.157 30.020 1.00 0.00 H new ATOM 0 HH2 TRP A 23 9.295 7.215 29.506 1.00 0.00 H new ATOM 1167 N ARG A 24 2.763 10.756 26.441 1.00 0.00 N ATOM 1168 CA ARG A 24 1.424 11.338 26.762 1.00 0.00 C ATOM 1169 C ARG A 24 1.463 11.946 28.167 1.00 0.00 C ATOM 1170 O ARG A 24 2.452 11.845 28.865 1.00 0.00 O ATOM 1171 CB ARG A 24 0.374 10.220 26.718 1.00 0.00 C ATOM 1172 CG ARG A 24 0.357 9.554 25.336 1.00 0.00 C ATOM 1173 CD ARG A 24 -0.472 10.382 24.350 1.00 0.00 C ATOM 1174 NE ARG A 24 -0.414 9.751 23.004 1.00 0.00 N ATOM 1175 CZ ARG A 24 -1.289 10.087 22.101 1.00 0.00 C ATOM 1176 NH1 ARG A 24 -2.213 10.958 22.397 1.00 0.00 N ATOM 1177 NH2 ARG A 24 -1.239 9.551 20.910 1.00 0.00 N ATOM 0 H ARG A 24 3.001 9.918 26.972 1.00 0.00 H new ATOM 0 HA ARG A 24 1.170 12.112 26.038 1.00 0.00 H new ATOM 0 HB2 ARG A 24 0.594 9.476 27.484 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -0.611 10.629 26.944 1.00 0.00 H new ATOM 0 HG2 ARG A 24 1.376 9.449 24.964 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -0.059 8.549 25.415 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -1.506 10.445 24.690 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -0.089 11.402 24.303 1.00 0.00 H new ATOM 0 HE ARG A 24 0.306 9.061 22.791 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -2.246 11.370 23.330 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -2.903 11.228 21.696 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -0.514 8.869 20.688 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -1.925 9.815 20.203 1.00 0.00 H new ATOM 1191 N ARG A 25 0.392 12.574 28.584 1.00 0.00 N ATOM 1192 CA ARG A 25 0.351 13.196 29.944 1.00 0.00 C ATOM 1193 C ARG A 25 -0.967 12.837 30.640 1.00 0.00 C ATOM 1194 O ARG A 25 -1.995 12.683 30.011 1.00 0.00 O ATOM 1195 CB ARG A 25 0.461 14.717 29.809 1.00 0.00 C ATOM 1196 CG ARG A 25 1.837 15.085 29.247 1.00 0.00 C ATOM 1197 CD ARG A 25 1.948 16.607 29.112 1.00 0.00 C ATOM 1198 NE ARG A 25 1.022 17.084 28.045 1.00 0.00 N ATOM 1199 CZ ARG A 25 0.718 18.351 27.966 1.00 0.00 C ATOM 1200 NH1 ARG A 25 1.243 19.202 28.805 1.00 0.00 N ATOM 1201 NH2 ARG A 25 -0.108 18.768 27.045 1.00 0.00 N ATOM 0 H ARG A 25 -0.462 12.683 28.037 1.00 0.00 H new ATOM 0 HA ARG A 25 1.183 12.820 30.539 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -0.324 15.091 29.151 1.00 0.00 H new ATOM 0 HB3 ARG A 25 0.315 15.190 30.780 1.00 0.00 H new ATOM 0 HG2 ARG A 25 2.621 14.710 29.905 1.00 0.00 H new ATOM 0 HG3 ARG A 25 1.982 14.612 28.276 1.00 0.00 H new ATOM 0 HD2 ARG A 25 1.703 17.085 30.060 1.00 0.00 H new ATOM 0 HD3 ARG A 25 2.973 16.887 28.869 1.00 0.00 H new ATOM 0 HE ARG A 25 0.627 16.421 27.378 1.00 0.00 H new ATOM 0 HH11 ARG A 25 1.891 18.877 29.523 1.00 0.00 H new ATOM 0 HH12 ARG A 25 1.005 20.192 28.743 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -0.516 18.104 26.387 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -0.346 19.758 26.983 1.00 0.00 H new ATOM 1215 N ASN A 26 -0.931 12.700 31.940 1.00 0.00 N ATOM 1216 CA ASN A 26 -2.158 12.344 32.715 1.00 0.00 C ATOM 1217 C ASN A 26 -2.922 13.622 33.092 1.00 0.00 C ATOM 1218 O ASN A 26 -2.305 14.618 33.407 1.00 0.00 O ATOM 1219 CB ASN A 26 -1.722 11.648 34.010 1.00 0.00 C ATOM 1220 CG ASN A 26 -2.936 11.062 34.731 1.00 0.00 C ATOM 1221 OD1 ASN A 26 -3.464 11.665 35.643 1.00 0.00 O ATOM 1222 ND2 ASN A 26 -3.410 9.905 34.356 1.00 0.00 N ATOM 0 H ASN A 26 -0.091 12.821 32.506 1.00 0.00 H new ATOM 0 HA ASN A 26 -2.797 11.696 32.115 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -1.008 10.856 33.783 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -1.213 12.360 34.660 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -4.222 9.509 34.829 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -2.968 9.397 33.590 1.00 0.00 H new ATOM 1229 N PRO A 27 -4.239 13.617 33.087 1.00 0.00 N ATOM 1230 CA PRO A 27 -5.036 14.817 33.478 1.00 0.00 C ATOM 1231 C PRO A 27 -4.462 15.549 34.704 1.00 0.00 C ATOM 1232 O PRO A 27 -4.852 16.660 35.003 1.00 0.00 O ATOM 1233 CB PRO A 27 -6.414 14.233 33.793 1.00 0.00 C ATOM 1234 CG PRO A 27 -6.545 13.068 32.870 1.00 0.00 C ATOM 1235 CD PRO A 27 -5.129 12.498 32.696 1.00 0.00 C ATOM 0 HA PRO A 27 -5.042 15.571 32.691 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -6.485 13.923 34.836 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -7.204 14.965 33.623 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -7.219 12.318 33.284 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -6.961 13.376 31.911 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -4.971 11.624 33.327 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -4.948 12.186 31.667 1.00 0.00 H new ATOM 1243 N GLU A 28 -3.537 14.947 35.414 1.00 0.00 N ATOM 1244 CA GLU A 28 -2.939 15.622 36.609 1.00 0.00 C ATOM 1245 C GLU A 28 -1.601 16.248 36.216 1.00 0.00 C ATOM 1246 O GLU A 28 -0.855 16.723 37.049 1.00 0.00 O ATOM 1247 CB GLU A 28 -2.695 14.599 37.721 1.00 0.00 C ATOM 1248 CG GLU A 28 -4.035 14.101 38.265 1.00 0.00 C ATOM 1249 CD GLU A 28 -4.741 15.239 39.004 1.00 0.00 C ATOM 1250 OE1 GLU A 28 -4.184 15.725 39.975 1.00 0.00 O ATOM 1251 OE2 GLU A 28 -5.823 15.613 38.580 1.00 0.00 O ATOM 0 H GLU A 28 -3.170 14.016 35.217 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.626 16.390 36.965 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -2.113 13.761 37.337 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -2.111 15.051 38.523 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.660 13.741 37.448 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.876 13.259 38.939 1.00 0.00 H new ATOM 1258 N GLY A 29 -1.305 16.270 34.948 1.00 0.00 N ATOM 1259 CA GLY A 29 -0.030 16.883 34.484 1.00 0.00 C ATOM 1260 C GLY A 29 1.148 15.926 34.695 1.00 0.00 C ATOM 1261 O GLY A 29 2.290 16.304 34.521 1.00 0.00 O ATOM 0 H GLY A 29 -1.894 15.888 34.209 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -0.109 17.140 33.428 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.150 17.812 35.026 1.00 0.00 H new ATOM 1265 N GLN A 30 0.902 14.688 35.041 1.00 0.00 N ATOM 1266 CA GLN A 30 2.038 13.734 35.222 1.00 0.00 C ATOM 1267 C GLN A 30 2.364 13.125 33.852 1.00 0.00 C ATOM 1268 O GLN A 30 1.479 12.942 33.041 1.00 0.00 O ATOM 1269 CB GLN A 30 1.641 12.627 36.206 1.00 0.00 C ATOM 1270 CG GLN A 30 1.423 13.237 37.593 1.00 0.00 C ATOM 1271 CD GLN A 30 1.020 12.142 38.583 1.00 0.00 C ATOM 1272 OE1 GLN A 30 1.420 11.002 38.446 1.00 0.00 O ATOM 1273 NE2 GLN A 30 0.240 12.443 39.586 1.00 0.00 N ATOM 0 H GLN A 30 -0.027 14.299 35.205 1.00 0.00 H new ATOM 0 HA GLN A 30 2.908 14.253 35.624 1.00 0.00 H new ATOM 0 HB2 GLN A 30 0.731 12.132 35.867 1.00 0.00 H new ATOM 0 HB3 GLN A 30 2.420 11.866 36.249 1.00 0.00 H new ATOM 0 HG2 GLN A 30 2.335 13.729 37.932 1.00 0.00 H new ATOM 0 HG3 GLN A 30 0.647 14.001 37.546 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -0.096 13.399 39.702 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -0.033 11.722 40.254 1.00 0.00 H new ATOM 1282 N PRO A 31 3.607 12.830 33.566 1.00 0.00 N ATOM 1283 CA PRO A 31 3.990 12.258 32.242 1.00 0.00 C ATOM 1284 C PRO A 31 3.651 10.765 32.100 1.00 0.00 C ATOM 1285 O PRO A 31 3.974 9.956 32.947 1.00 0.00 O ATOM 1286 CB PRO A 31 5.504 12.489 32.195 1.00 0.00 C ATOM 1287 CG PRO A 31 5.937 12.407 33.621 1.00 0.00 C ATOM 1288 CD PRO A 31 4.784 12.997 34.444 1.00 0.00 C ATOM 0 HA PRO A 31 3.443 12.726 31.424 1.00 0.00 H new ATOM 0 HB2 PRO A 31 6.002 11.736 31.585 1.00 0.00 H new ATOM 0 HB3 PRO A 31 5.744 13.460 31.762 1.00 0.00 H new ATOM 0 HG2 PRO A 31 6.136 11.375 33.910 1.00 0.00 H new ATOM 0 HG3 PRO A 31 6.859 12.966 33.782 1.00 0.00 H new ATOM 0 HD2 PRO A 31 4.656 12.470 35.390 1.00 0.00 H new ATOM 0 HD3 PRO A 31 4.959 14.046 34.684 1.00 0.00 H new ATOM 1296 N LEU A 32 3.028 10.405 31.002 1.00 0.00 N ATOM 1297 CA LEU A 32 2.678 8.973 30.736 1.00 0.00 C ATOM 1298 C LEU A 32 3.344 8.594 29.412 1.00 0.00 C ATOM 1299 O LEU A 32 3.680 9.461 28.631 1.00 0.00 O ATOM 1300 CB LEU A 32 1.161 8.798 30.579 1.00 0.00 C ATOM 1301 CG LEU A 32 0.405 9.256 31.830 1.00 0.00 C ATOM 1302 CD1 LEU A 32 -1.094 8.990 31.633 1.00 0.00 C ATOM 1303 CD2 LEU A 32 0.904 8.500 33.067 1.00 0.00 C ATOM 0 H LEU A 32 2.743 11.054 30.268 1.00 0.00 H new ATOM 0 HA LEU A 32 3.013 8.350 31.565 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.816 9.368 29.716 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.934 7.751 30.380 1.00 0.00 H new ATOM 0 HG LEU A 32 0.579 10.321 31.983 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.640 9.313 32.519 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.451 9.544 30.765 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.257 7.924 31.475 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.356 8.839 33.946 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.744 7.431 32.929 1.00 0.00 H new ATOM 0 HD23 LEU A 32 1.968 8.693 33.207 1.00 0.00 H new ATOM 1315 N CYS A 33 3.525 7.332 29.110 1.00 0.00 N ATOM 1316 CA CYS A 33 4.150 6.987 27.799 1.00 0.00 C ATOM 1317 C CYS A 33 3.063 6.967 26.723 1.00 0.00 C ATOM 1318 O CYS A 33 2.111 7.720 26.785 1.00 0.00 O ATOM 1319 CB CYS A 33 4.859 5.630 27.876 1.00 0.00 C ATOM 1320 SG CYS A 33 3.669 4.298 28.160 1.00 0.00 S ATOM 0 H CYS A 33 3.272 6.541 29.702 1.00 0.00 H new ATOM 0 HA CYS A 33 4.900 7.737 27.546 1.00 0.00 H new ATOM 0 HB2 CYS A 33 5.403 5.446 26.950 1.00 0.00 H new ATOM 0 HB3 CYS A 33 5.594 5.644 28.680 1.00 0.00 H new ATOM 0 HG CYS A 33 4.077 3.554 29.145 1.00 0.00 H new ATOM 1325 N ASN A 34 3.192 6.132 25.729 1.00 0.00 N ATOM 1326 CA ASN A 34 2.159 6.103 24.653 1.00 0.00 C ATOM 1327 C ASN A 34 0.920 5.306 25.083 1.00 0.00 C ATOM 1328 O ASN A 34 -0.170 5.837 25.159 1.00 0.00 O ATOM 1329 CB ASN A 34 2.755 5.475 23.388 1.00 0.00 C ATOM 1330 CG ASN A 34 3.471 4.166 23.736 1.00 0.00 C ATOM 1331 OD1 ASN A 34 3.897 3.970 24.857 1.00 0.00 O ATOM 1332 ND2 ASN A 34 3.630 3.260 22.808 1.00 0.00 N ATOM 0 H ASN A 34 3.962 5.473 25.614 1.00 0.00 H new ATOM 0 HA ASN A 34 1.850 7.129 24.454 1.00 0.00 H new ATOM 0 HB2 ASN A 34 1.966 5.284 22.661 1.00 0.00 H new ATOM 0 HB3 ASN A 34 3.455 6.169 22.924 1.00 0.00 H new ATOM 0 HD21 ASN A 34 4.112 2.387 23.024 1.00 0.00 H new ATOM 0 HD22 ASN A 34 3.272 3.425 21.867 1.00 0.00 H new ATOM 1339 N ALA A 35 1.063 4.029 25.311 1.00 0.00 N ATOM 1340 CA ALA A 35 -0.113 3.178 25.671 1.00 0.00 C ATOM 1341 C ALA A 35 -0.790 3.589 26.991 1.00 0.00 C ATOM 1342 O ALA A 35 -1.994 3.505 27.109 1.00 0.00 O ATOM 1343 CB ALA A 35 0.337 1.719 25.765 1.00 0.00 C ATOM 0 H ALA A 35 1.952 3.532 25.263 1.00 0.00 H new ATOM 0 HA ALA A 35 -0.856 3.315 24.885 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.515 1.092 26.027 1.00 0.00 H new ATOM 0 HB2 ALA A 35 0.740 1.400 24.804 1.00 0.00 H new ATOM 0 HB3 ALA A 35 1.107 1.624 26.531 1.00 0.00 H new ATOM 1349 N CYS A 36 -0.058 3.993 27.997 1.00 0.00 N ATOM 1350 CA CYS A 36 -0.722 4.349 29.294 1.00 0.00 C ATOM 1351 C CYS A 36 -1.739 5.481 29.102 1.00 0.00 C ATOM 1352 O CYS A 36 -2.897 5.351 29.449 1.00 0.00 O ATOM 1353 CB CYS A 36 0.327 4.808 30.308 1.00 0.00 C ATOM 1354 SG CYS A 36 1.313 3.403 30.879 1.00 0.00 S ATOM 0 H CYS A 36 0.957 4.092 27.982 1.00 0.00 H new ATOM 0 HA CYS A 36 -1.239 3.460 29.657 1.00 0.00 H new ATOM 0 HB2 CYS A 36 0.977 5.556 29.854 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -0.163 5.285 31.157 1.00 0.00 H new ATOM 0 HG CYS A 36 2.378 3.292 30.142 1.00 0.00 H new ATOM 1359 N GLY A 37 -1.318 6.592 28.565 1.00 0.00 N ATOM 1360 CA GLY A 37 -2.265 7.728 28.369 1.00 0.00 C ATOM 1361 C GLY A 37 -3.419 7.290 27.463 1.00 0.00 C ATOM 1362 O GLY A 37 -4.571 7.559 27.740 1.00 0.00 O ATOM 0 H GLY A 37 -0.362 6.764 28.254 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -2.653 8.061 29.332 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.743 8.576 27.925 1.00 0.00 H new ATOM 1366 N LEU A 38 -3.124 6.613 26.387 1.00 0.00 N ATOM 1367 CA LEU A 38 -4.204 6.153 25.469 1.00 0.00 C ATOM 1368 C LEU A 38 -5.082 5.106 26.165 1.00 0.00 C ATOM 1369 O LEU A 38 -6.286 5.086 26.022 1.00 0.00 O ATOM 1370 CB LEU A 38 -3.564 5.488 24.245 1.00 0.00 C ATOM 1371 CG LEU A 38 -2.746 6.503 23.435 1.00 0.00 C ATOM 1372 CD1 LEU A 38 -1.820 5.749 22.474 1.00 0.00 C ATOM 1373 CD2 LEU A 38 -3.677 7.407 22.617 1.00 0.00 C ATOM 0 H LEU A 38 -2.178 6.358 26.103 1.00 0.00 H new ATOM 0 HA LEU A 38 -4.810 7.012 25.180 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.920 4.669 24.566 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.340 5.054 23.614 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.163 7.116 24.123 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.236 6.464 21.895 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -1.147 5.108 23.044 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.417 5.137 21.798 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.082 8.122 22.048 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -4.266 6.798 21.932 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -4.345 7.945 23.290 1.00 0.00 H new ATOM 1385 N PHE A 39 -4.474 4.222 26.902 1.00 0.00 N ATOM 1386 CA PHE A 39 -5.249 3.148 27.587 1.00 0.00 C ATOM 1387 C PHE A 39 -5.962 3.654 28.847 1.00 0.00 C ATOM 1388 O PHE A 39 -7.123 3.367 29.065 1.00 0.00 O ATOM 1389 CB PHE A 39 -4.287 2.023 27.972 1.00 0.00 C ATOM 1390 CG PHE A 39 -5.020 0.982 28.783 1.00 0.00 C ATOM 1391 CD1 PHE A 39 -5.076 1.108 30.175 1.00 0.00 C ATOM 1392 CD2 PHE A 39 -5.643 -0.101 28.151 1.00 0.00 C ATOM 1393 CE1 PHE A 39 -5.752 0.152 30.938 1.00 0.00 C ATOM 1394 CE2 PHE A 39 -6.318 -1.058 28.914 1.00 0.00 C ATOM 1395 CZ PHE A 39 -6.372 -0.931 30.307 1.00 0.00 C ATOM 0 H PHE A 39 -3.467 4.195 27.062 1.00 0.00 H new ATOM 0 HA PHE A 39 -6.016 2.795 26.898 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -3.866 1.569 27.075 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -3.453 2.425 28.547 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -4.596 1.945 30.661 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -5.602 -0.197 27.076 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -5.795 0.249 32.013 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -6.798 -1.895 28.429 1.00 0.00 H new ATOM 0 HZ PHE A 39 -6.894 -1.671 30.896 1.00 0.00 H new ATOM 1405 N LEU A 40 -5.272 4.348 29.707 1.00 0.00 N ATOM 1406 CA LEU A 40 -5.916 4.796 30.976 1.00 0.00 C ATOM 1407 C LEU A 40 -7.125 5.690 30.684 1.00 0.00 C ATOM 1408 O LEU A 40 -8.201 5.476 31.205 1.00 0.00 O ATOM 1409 CB LEU A 40 -4.889 5.574 31.805 1.00 0.00 C ATOM 1410 CG LEU A 40 -5.511 6.042 33.128 1.00 0.00 C ATOM 1411 CD1 LEU A 40 -5.957 4.824 33.959 1.00 0.00 C ATOM 1412 CD2 LEU A 40 -4.470 6.853 33.907 1.00 0.00 C ATOM 0 H LEU A 40 -4.297 4.624 29.590 1.00 0.00 H new ATOM 0 HA LEU A 40 -6.261 3.922 31.528 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.023 4.944 32.006 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.533 6.435 31.239 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.383 6.663 32.924 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.397 5.164 34.896 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.696 4.252 33.398 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.094 4.193 34.172 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.902 7.190 34.849 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.600 6.229 34.110 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.166 7.718 33.317 1.00 0.00 H new ATOM 1424 N LYS A 41 -6.964 6.694 29.868 1.00 0.00 N ATOM 1425 CA LYS A 41 -8.115 7.593 29.567 1.00 0.00 C ATOM 1426 C LYS A 41 -9.259 6.794 28.937 1.00 0.00 C ATOM 1427 O LYS A 41 -10.408 6.930 29.310 1.00 0.00 O ATOM 1428 CB LYS A 41 -7.667 8.695 28.603 1.00 0.00 C ATOM 1429 CG LYS A 41 -8.829 9.660 28.337 1.00 0.00 C ATOM 1430 CD LYS A 41 -8.426 10.673 27.262 1.00 0.00 C ATOM 1431 CE LYS A 41 -7.260 11.540 27.750 1.00 0.00 C ATOM 1432 NZ LYS A 41 -7.437 11.866 29.194 1.00 0.00 N ATOM 0 H LYS A 41 -6.090 6.931 29.398 1.00 0.00 H new ATOM 0 HA LYS A 41 -8.466 8.041 30.496 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -6.821 9.238 29.025 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -7.327 8.254 27.666 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -9.709 9.104 28.014 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -9.100 10.180 29.256 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -8.140 10.149 26.350 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -9.278 11.306 27.013 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -6.317 11.014 27.600 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -7.209 12.458 27.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -6.890 12.719 29.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -8.444 12.036 29.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -7.100 11.071 29.773 1.00 0.00 H new ATOM 1446 N LEU A 42 -8.957 5.995 27.953 1.00 0.00 N ATOM 1447 CA LEU A 42 -10.024 5.225 27.256 1.00 0.00 C ATOM 1448 C LEU A 42 -10.635 4.164 28.177 1.00 0.00 C ATOM 1449 O LEU A 42 -11.814 3.882 28.098 1.00 0.00 O ATOM 1450 CB LEU A 42 -9.434 4.543 26.019 1.00 0.00 C ATOM 1451 CG LEU A 42 -8.943 5.595 25.014 1.00 0.00 C ATOM 1452 CD1 LEU A 42 -8.272 4.877 23.838 1.00 0.00 C ATOM 1453 CD2 LEU A 42 -10.121 6.437 24.497 1.00 0.00 C ATOM 0 H LEU A 42 -8.013 5.841 27.600 1.00 0.00 H new ATOM 0 HA LEU A 42 -10.811 5.920 26.964 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -8.607 3.896 26.312 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -10.186 3.907 25.552 1.00 0.00 H new ATOM 0 HG LEU A 42 -8.233 6.259 25.506 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -7.918 5.613 23.116 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -7.428 4.292 24.203 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -8.992 4.215 23.358 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -9.755 7.177 23.786 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -10.844 5.787 24.004 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -10.601 6.944 25.334 1.00 0.00 H new ATOM 1465 N HIS A 43 -9.861 3.548 29.028 1.00 0.00 N ATOM 1466 CA HIS A 43 -10.432 2.487 29.912 1.00 0.00 C ATOM 1467 C HIS A 43 -10.966 3.100 31.213 1.00 0.00 C ATOM 1468 O HIS A 43 -11.962 2.656 31.749 1.00 0.00 O ATOM 1469 CB HIS A 43 -9.339 1.465 30.222 1.00 0.00 C ATOM 1470 CG HIS A 43 -9.034 0.679 28.974 1.00 0.00 C ATOM 1471 ND1 HIS A 43 -8.383 1.241 27.887 1.00 0.00 N ATOM 1472 CD2 HIS A 43 -9.289 -0.624 28.626 1.00 0.00 C ATOM 1473 CE1 HIS A 43 -8.267 0.286 26.946 1.00 0.00 C ATOM 1474 NE2 HIS A 43 -8.803 -0.871 27.345 1.00 0.00 N ATOM 0 H HIS A 43 -8.865 3.730 29.151 1.00 0.00 H new ATOM 0 HA HIS A 43 -11.263 1.998 29.403 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -8.441 1.970 30.577 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -9.664 0.796 31.018 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -8.052 2.203 27.814 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -9.791 -1.348 29.251 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -7.798 0.437 25.985 1.00 0.00 H new ATOM 1482 N GLY A 44 -10.342 4.129 31.711 1.00 0.00 N ATOM 1483 CA GLY A 44 -10.845 4.781 32.955 1.00 0.00 C ATOM 1484 C GLY A 44 -10.993 3.774 34.102 1.00 0.00 C ATOM 1485 O GLY A 44 -11.575 4.090 35.121 1.00 0.00 O ATOM 0 H GLY A 44 -9.503 4.549 31.311 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -10.159 5.574 33.253 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -11.808 5.250 32.756 1.00 0.00 H new ATOM 1489 N VAL A 45 -10.480 2.575 33.966 1.00 0.00 N ATOM 1490 CA VAL A 45 -10.605 1.572 35.075 1.00 0.00 C ATOM 1491 C VAL A 45 -9.272 0.856 35.289 1.00 0.00 C ATOM 1492 O VAL A 45 -8.568 0.525 34.356 1.00 0.00 O ATOM 1493 CB VAL A 45 -11.678 0.532 34.745 1.00 0.00 C ATOM 1494 CG1 VAL A 45 -13.043 1.215 34.640 1.00 0.00 C ATOM 1495 CG2 VAL A 45 -11.352 -0.157 33.418 1.00 0.00 C ATOM 0 H VAL A 45 -9.982 2.247 33.139 1.00 0.00 H new ATOM 0 HA VAL A 45 -10.888 2.106 35.982 1.00 0.00 H new ATOM 0 HB VAL A 45 -11.702 -0.214 35.540 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -13.805 0.472 34.405 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -13.284 1.694 35.589 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -13.014 1.967 33.851 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -12.122 -0.895 33.193 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -11.317 0.586 32.621 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -10.385 -0.653 33.494 1.00 0.00 H new ATOM 1505 N VAL A 46 -8.927 0.617 36.522 1.00 0.00 N ATOM 1506 CA VAL A 46 -7.645 -0.077 36.823 1.00 0.00 C ATOM 1507 C VAL A 46 -7.634 -1.452 36.153 1.00 0.00 C ATOM 1508 O VAL A 46 -8.632 -2.145 36.110 1.00 0.00 O ATOM 1509 CB VAL A 46 -7.497 -0.251 38.337 1.00 0.00 C ATOM 1510 CG1 VAL A 46 -7.363 1.122 38.999 1.00 0.00 C ATOM 1511 CG2 VAL A 46 -8.730 -0.969 38.891 1.00 0.00 C ATOM 0 H VAL A 46 -9.481 0.874 37.339 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.817 0.520 36.442 1.00 0.00 H new ATOM 0 HB VAL A 46 -6.607 -0.843 38.549 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -7.258 0.998 40.077 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -6.484 1.632 38.605 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -8.252 1.716 38.788 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -8.625 -1.093 39.969 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -9.621 -0.378 38.679 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -8.823 -1.948 38.420 1.00 0.00 H new ATOM 1521 N ARG A 47 -6.508 -1.851 35.633 1.00 0.00 N ATOM 1522 CA ARG A 47 -6.406 -3.179 34.966 1.00 0.00 C ATOM 1523 C ARG A 47 -4.933 -3.610 35.020 1.00 0.00 C ATOM 1524 O ARG A 47 -4.060 -2.796 34.798 1.00 0.00 O ATOM 1525 CB ARG A 47 -6.866 -3.025 33.512 1.00 0.00 C ATOM 1526 CG ARG A 47 -7.196 -4.395 32.907 1.00 0.00 C ATOM 1527 CD ARG A 47 -7.852 -4.226 31.528 1.00 0.00 C ATOM 1528 NE ARG A 47 -8.842 -5.322 31.312 1.00 0.00 N ATOM 1529 CZ ARG A 47 -8.509 -6.573 31.462 1.00 0.00 C ATOM 1530 NH1 ARG A 47 -7.259 -6.908 31.631 1.00 0.00 N ATOM 1531 NH2 ARG A 47 -9.426 -7.497 31.392 1.00 0.00 N ATOM 0 H ARG A 47 -5.644 -1.308 35.642 1.00 0.00 H new ATOM 0 HA ARG A 47 -7.028 -3.928 35.456 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -7.744 -2.380 33.468 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -6.085 -2.540 32.926 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -6.286 -4.988 32.814 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -7.866 -4.941 33.571 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -8.347 -3.257 31.465 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -7.092 -4.248 30.747 1.00 0.00 H new ATOM 0 HE ARG A 47 -9.797 -5.087 31.042 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -6.536 -6.189 31.646 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -7.005 -7.889 31.748 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -10.398 -7.239 31.221 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -9.172 -8.478 31.509 1.00 0.00 H new ATOM 1545 N PRO A 48 -4.634 -4.850 35.331 1.00 0.00 N ATOM 1546 CA PRO A 48 -3.228 -5.324 35.424 1.00 0.00 C ATOM 1547 C PRO A 48 -2.283 -4.656 34.424 1.00 0.00 C ATOM 1548 O PRO A 48 -2.330 -4.914 33.237 1.00 0.00 O ATOM 1549 CB PRO A 48 -3.347 -6.817 35.135 1.00 0.00 C ATOM 1550 CG PRO A 48 -4.673 -7.202 35.712 1.00 0.00 C ATOM 1551 CD PRO A 48 -5.573 -5.953 35.630 1.00 0.00 C ATOM 0 HA PRO A 48 -2.793 -5.085 36.394 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -3.305 -7.019 34.065 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -2.534 -7.377 35.597 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -5.111 -8.031 35.156 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -4.564 -7.533 36.745 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -6.328 -6.056 34.850 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -6.104 -5.782 36.567 1.00 0.00 H new ATOM 1559 N LEU A 49 -1.400 -3.830 34.909 1.00 0.00 N ATOM 1560 CA LEU A 49 -0.415 -3.187 34.003 1.00 0.00 C ATOM 1561 C LEU A 49 0.438 -4.308 33.414 1.00 0.00 C ATOM 1562 O LEU A 49 1.229 -4.105 32.514 1.00 0.00 O ATOM 1563 CB LEU A 49 0.487 -2.222 34.781 1.00 0.00 C ATOM 1564 CG LEU A 49 -0.335 -1.115 35.454 1.00 0.00 C ATOM 1565 CD1 LEU A 49 0.620 -0.186 36.214 1.00 0.00 C ATOM 1566 CD2 LEU A 49 -1.107 -0.302 34.404 1.00 0.00 C ATOM 0 H LEU A 49 -1.319 -3.574 35.893 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.927 -2.617 33.228 1.00 0.00 H new ATOM 0 HB2 LEU A 49 1.047 -2.773 35.536 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.217 -1.777 34.105 1.00 0.00 H new ATOM 0 HG LEU A 49 -1.052 -1.567 36.139 1.00 0.00 H new ATOM 0 HD11 LEU A 49 0.049 0.606 36.698 1.00 0.00 H new ATOM 0 HD12 LEU A 49 1.159 -0.758 36.969 1.00 0.00 H new ATOM 0 HD13 LEU A 49 1.332 0.254 35.516 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.684 0.478 34.900 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.403 0.154 33.708 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.782 -0.961 33.858 1.00 0.00 H new ATOM 1578 N SER A 50 0.281 -5.497 33.935 1.00 0.00 N ATOM 1579 CA SER A 50 1.078 -6.649 33.434 1.00 0.00 C ATOM 1580 C SER A 50 0.898 -6.749 31.922 1.00 0.00 C ATOM 1581 O SER A 50 1.587 -7.492 31.250 1.00 0.00 O ATOM 1582 CB SER A 50 0.594 -7.939 34.097 1.00 0.00 C ATOM 1583 OG SER A 50 -0.664 -8.306 33.548 1.00 0.00 O ATOM 0 H SER A 50 -0.369 -5.718 34.690 1.00 0.00 H new ATOM 0 HA SER A 50 2.131 -6.503 33.673 1.00 0.00 H new ATOM 0 HB2 SER A 50 1.319 -8.737 33.939 1.00 0.00 H new ATOM 0 HB3 SER A 50 0.506 -7.797 35.174 1.00 0.00 H new ATOM 0 HG SER A 50 -0.976 -9.134 33.970 1.00 0.00 H new ATOM 1589 N LEU A 51 -0.009 -5.986 31.377 1.00 0.00 N ATOM 1590 CA LEU A 51 -0.211 -6.020 29.904 1.00 0.00 C ATOM 1591 C LEU A 51 1.012 -5.378 29.249 1.00 0.00 C ATOM 1592 O LEU A 51 1.368 -5.688 28.130 1.00 0.00 O ATOM 1593 CB LEU A 51 -1.471 -5.232 29.528 1.00 0.00 C ATOM 1594 CG LEU A 51 -2.725 -5.979 30.001 1.00 0.00 C ATOM 1595 CD1 LEU A 51 -3.943 -5.065 29.829 1.00 0.00 C ATOM 1596 CD2 LEU A 51 -2.923 -7.267 29.182 1.00 0.00 C ATOM 0 H LEU A 51 -0.616 -5.344 31.886 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.333 -7.048 29.564 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.437 -4.241 29.980 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.510 -5.088 28.448 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.608 -6.250 31.050 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -4.840 -5.587 30.163 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -3.807 -4.162 30.423 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -4.050 -4.795 28.778 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.817 -7.785 29.530 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -3.037 -7.014 28.128 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.056 -7.915 29.308 1.00 0.00 H new ATOM 1608 N LYS A 52 1.666 -4.497 29.955 1.00 0.00 N ATOM 1609 CA LYS A 52 2.883 -3.838 29.403 1.00 0.00 C ATOM 1610 C LYS A 52 3.848 -4.899 28.872 1.00 0.00 C ATOM 1611 O LYS A 52 3.953 -5.987 29.402 1.00 0.00 O ATOM 1612 CB LYS A 52 3.549 -3.025 30.526 1.00 0.00 C ATOM 1613 CG LYS A 52 4.965 -2.549 30.147 1.00 0.00 C ATOM 1614 CD LYS A 52 4.914 -1.515 29.016 1.00 0.00 C ATOM 1615 CE LYS A 52 6.338 -1.069 28.661 1.00 0.00 C ATOM 1616 NZ LYS A 52 7.183 -1.027 29.888 1.00 0.00 N ATOM 0 H LYS A 52 1.407 -4.204 30.897 1.00 0.00 H new ATOM 0 HA LYS A 52 2.613 -3.175 28.581 1.00 0.00 H new ATOM 0 HB2 LYS A 52 2.929 -2.160 30.761 1.00 0.00 H new ATOM 0 HB3 LYS A 52 3.603 -3.634 31.429 1.00 0.00 H new ATOM 0 HG2 LYS A 52 5.452 -2.114 31.020 1.00 0.00 H new ATOM 0 HG3 LYS A 52 5.568 -3.402 29.837 1.00 0.00 H new ATOM 0 HD2 LYS A 52 4.427 -1.943 28.140 1.00 0.00 H new ATOM 0 HD3 LYS A 52 4.319 -0.655 29.323 1.00 0.00 H new ATOM 0 HE2 LYS A 52 6.772 -1.756 27.935 1.00 0.00 H new ATOM 0 HE3 LYS A 52 6.313 -0.085 28.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 8.053 -0.492 29.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 6.657 -0.564 30.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 7.430 -1.996 30.173 1.00 0.00 H new ATOM 1630 N THR A 53 4.571 -4.570 27.836 1.00 0.00 N ATOM 1631 CA THR A 53 5.563 -5.523 27.258 1.00 0.00 C ATOM 1632 C THR A 53 6.785 -4.747 26.784 1.00 0.00 C ATOM 1633 O THR A 53 6.694 -3.597 26.402 1.00 0.00 O ATOM 1634 CB THR A 53 4.963 -6.252 26.059 1.00 0.00 C ATOM 1635 OG1 THR A 53 6.010 -6.826 25.290 1.00 0.00 O ATOM 1636 CG2 THR A 53 4.176 -5.261 25.200 1.00 0.00 C ATOM 0 H THR A 53 4.516 -3.670 27.359 1.00 0.00 H new ATOM 0 HA THR A 53 5.839 -6.247 28.024 1.00 0.00 H new ATOM 0 HB THR A 53 4.292 -7.038 26.405 1.00 0.00 H new ATOM 0 HG1 THR A 53 5.630 -7.297 24.519 1.00 0.00 H new ATOM 0 HG21 THR A 53 3.748 -5.782 24.344 1.00 0.00 H new ATOM 0 HG22 THR A 53 3.376 -4.820 25.794 1.00 0.00 H new ATOM 0 HG23 THR A 53 4.843 -4.474 24.849 1.00 0.00 H new ATOM 1644 N ASP A 54 7.930 -5.363 26.815 1.00 0.00 N ATOM 1645 CA ASP A 54 9.168 -4.658 26.373 1.00 0.00 C ATOM 1646 C ASP A 54 9.310 -4.791 24.857 1.00 0.00 C ATOM 1647 O ASP A 54 10.154 -4.166 24.247 1.00 0.00 O ATOM 1648 CB ASP A 54 10.386 -5.294 27.045 1.00 0.00 C ATOM 1649 CG ASP A 54 10.380 -4.964 28.539 1.00 0.00 C ATOM 1650 OD1 ASP A 54 9.735 -3.998 28.910 1.00 0.00 O ATOM 1651 OD2 ASP A 54 11.023 -5.683 29.285 1.00 0.00 O ATOM 0 H ASP A 54 8.066 -6.325 27.127 1.00 0.00 H new ATOM 0 HA ASP A 54 9.104 -3.606 26.649 1.00 0.00 H new ATOM 0 HB2 ASP A 54 10.370 -6.374 26.901 1.00 0.00 H new ATOM 0 HB3 ASP A 54 11.302 -4.924 26.584 1.00 0.00 H new ATOM 1656 N VAL A 55 8.485 -5.602 24.248 1.00 0.00 N ATOM 1657 CA VAL A 55 8.551 -5.795 22.768 1.00 0.00 C ATOM 1658 C VAL A 55 7.332 -5.109 22.146 1.00 0.00 C ATOM 1659 O VAL A 55 6.202 -5.415 22.470 1.00 0.00 O ATOM 1660 CB VAL A 55 8.531 -7.302 22.475 1.00 0.00 C ATOM 1661 CG1 VAL A 55 8.606 -7.560 20.966 1.00 0.00 C ATOM 1662 CG2 VAL A 55 9.733 -7.961 23.168 1.00 0.00 C ATOM 0 H VAL A 55 7.760 -6.145 24.718 1.00 0.00 H new ATOM 0 HA VAL A 55 9.460 -5.364 22.349 1.00 0.00 H new ATOM 0 HB VAL A 55 7.600 -7.725 22.852 1.00 0.00 H new ATOM 0 HG11 VAL A 55 8.591 -8.634 20.779 1.00 0.00 H new ATOM 0 HG12 VAL A 55 7.752 -7.094 20.474 1.00 0.00 H new ATOM 0 HG13 VAL A 55 9.529 -7.136 20.570 1.00 0.00 H new ATOM 0 HG21 VAL A 55 9.727 -9.032 22.966 1.00 0.00 H new ATOM 0 HG22 VAL A 55 10.657 -7.525 22.788 1.00 0.00 H new ATOM 0 HG23 VAL A 55 9.669 -7.795 24.243 1.00 0.00 H new ATOM 1672 N ILE A 56 7.563 -4.168 21.265 1.00 0.00 N ATOM 1673 CA ILE A 56 6.440 -3.426 20.615 1.00 0.00 C ATOM 1674 C ILE A 56 6.385 -3.792 19.131 1.00 0.00 C ATOM 1675 O ILE A 56 7.379 -3.751 18.434 1.00 0.00 O ATOM 1676 CB ILE A 56 6.689 -1.924 20.781 1.00 0.00 C ATOM 1677 CG1 ILE A 56 6.747 -1.601 22.276 1.00 0.00 C ATOM 1678 CG2 ILE A 56 5.548 -1.126 20.141 1.00 0.00 C ATOM 1679 CD1 ILE A 56 7.237 -0.168 22.481 1.00 0.00 C ATOM 0 H ILE A 56 8.494 -3.879 20.965 1.00 0.00 H new ATOM 0 HA ILE A 56 5.489 -3.691 21.077 1.00 0.00 H new ATOM 0 HB ILE A 56 7.627 -1.655 20.295 1.00 0.00 H new ATOM 0 HG12 ILE A 56 5.760 -1.724 22.722 1.00 0.00 H new ATOM 0 HG13 ILE A 56 7.415 -2.299 22.782 1.00 0.00 H new ATOM 0 HG21 ILE A 56 5.736 -0.059 20.265 1.00 0.00 H new ATOM 0 HG22 ILE A 56 5.489 -1.363 19.079 1.00 0.00 H new ATOM 0 HG23 ILE A 56 4.606 -1.387 20.623 1.00 0.00 H new ATOM 0 HD11 ILE A 56 7.276 0.054 23.547 1.00 0.00 H new ATOM 0 HD12 ILE A 56 8.233 -0.059 22.051 1.00 0.00 H new ATOM 0 HD13 ILE A 56 6.553 0.524 21.991 1.00 0.00 H new ATOM 1691 N LYS A 57 5.230 -4.151 18.644 1.00 0.00 N ATOM 1692 CA LYS A 57 5.112 -4.522 17.207 1.00 0.00 C ATOM 1693 C LYS A 57 5.146 -3.251 16.358 1.00 0.00 C ATOM 1694 O LYS A 57 4.332 -2.363 16.518 1.00 0.00 O ATOM 1695 CB LYS A 57 3.784 -5.248 16.977 1.00 0.00 C ATOM 1696 CG LYS A 57 3.727 -5.784 15.544 1.00 0.00 C ATOM 1697 CD LYS A 57 2.393 -6.500 15.322 1.00 0.00 C ATOM 1698 CE LYS A 57 2.370 -7.116 13.922 1.00 0.00 C ATOM 1699 NZ LYS A 57 3.498 -8.080 13.785 1.00 0.00 N ATOM 0 H LYS A 57 4.363 -4.203 19.179 1.00 0.00 H new ATOM 0 HA LYS A 57 5.938 -5.176 16.927 1.00 0.00 H new ATOM 0 HB2 LYS A 57 3.680 -6.069 17.686 1.00 0.00 H new ATOM 0 HB3 LYS A 57 2.951 -4.567 17.154 1.00 0.00 H new ATOM 0 HG2 LYS A 57 3.835 -4.965 14.833 1.00 0.00 H new ATOM 0 HG3 LYS A 57 4.555 -6.471 15.368 1.00 0.00 H new ATOM 0 HD2 LYS A 57 2.255 -7.276 16.075 1.00 0.00 H new ATOM 0 HD3 LYS A 57 1.568 -5.797 15.435 1.00 0.00 H new ATOM 0 HE2 LYS A 57 1.421 -7.624 13.752 1.00 0.00 H new ATOM 0 HE3 LYS A 57 2.452 -6.334 13.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 3.287 -8.755 13.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 4.371 -7.563 13.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 3.624 -8.596 14.679 1.00 0.00 H new ATOM 1713 N LYS A 58 6.071 -3.165 15.443 1.00 0.00 N ATOM 1714 CA LYS A 58 6.148 -1.960 14.573 1.00 0.00 C ATOM 1715 C LYS A 58 5.172 -2.130 13.412 1.00 0.00 C ATOM 1716 O LYS A 58 5.130 -3.164 12.776 1.00 0.00 O ATOM 1717 CB LYS A 58 7.571 -1.806 14.033 1.00 0.00 C ATOM 1718 CG LYS A 58 8.497 -1.422 15.186 1.00 0.00 C ATOM 1719 CD LYS A 58 9.927 -1.263 14.670 1.00 0.00 C ATOM 1720 CE LYS A 58 10.823 -0.789 15.814 1.00 0.00 C ATOM 1721 NZ LYS A 58 10.432 0.596 16.201 1.00 0.00 N ATOM 0 H LYS A 58 6.777 -3.878 15.261 1.00 0.00 H new ATOM 0 HA LYS A 58 5.889 -1.070 15.147 1.00 0.00 H new ATOM 0 HB2 LYS A 58 7.904 -2.738 13.576 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.599 -1.042 13.256 1.00 0.00 H new ATOM 0 HG2 LYS A 58 8.159 -0.491 15.641 1.00 0.00 H new ATOM 0 HG3 LYS A 58 8.463 -2.187 15.962 1.00 0.00 H new ATOM 0 HD2 LYS A 58 10.292 -2.211 14.275 1.00 0.00 H new ATOM 0 HD3 LYS A 58 9.953 -0.545 13.850 1.00 0.00 H new ATOM 0 HE2 LYS A 58 10.727 -1.459 16.668 1.00 0.00 H new ATOM 0 HE3 LYS A 58 11.868 -0.812 15.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 11.233 1.064 16.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 10.168 1.133 15.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 9.622 0.559 16.853 1.00 0.00 H new ATOM 1735 N ARG A 59 4.376 -1.130 13.137 1.00 0.00 N ATOM 1736 CA ARG A 59 3.391 -1.236 12.022 1.00 0.00 C ATOM 1737 C ARG A 59 3.950 -0.517 10.796 1.00 0.00 C ATOM 1738 O ARG A 59 4.929 0.198 10.873 1.00 0.00 O ATOM 1739 CB ARG A 59 2.065 -0.602 12.446 1.00 0.00 C ATOM 1740 CG ARG A 59 1.475 -1.408 13.608 1.00 0.00 C ATOM 1741 CD ARG A 59 0.072 -0.893 13.940 1.00 0.00 C ATOM 1742 NE ARG A 59 -0.857 -1.246 12.830 1.00 0.00 N ATOM 1743 CZ ARG A 59 -2.150 -1.228 13.018 1.00 0.00 C ATOM 1744 NH1 ARG A 59 -2.644 -0.886 14.177 1.00 0.00 N ATOM 1745 NH2 ARG A 59 -2.948 -1.553 12.040 1.00 0.00 N ATOM 0 H ARG A 59 4.366 -0.242 13.639 1.00 0.00 H new ATOM 0 HA ARG A 59 3.216 -2.284 11.779 1.00 0.00 H new ATOM 0 HB2 ARG A 59 2.222 0.433 12.748 1.00 0.00 H new ATOM 0 HB3 ARG A 59 1.370 -0.587 11.607 1.00 0.00 H new ATOM 0 HG2 ARG A 59 1.431 -2.465 13.344 1.00 0.00 H new ATOM 0 HG3 ARG A 59 2.119 -1.325 14.484 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -0.277 -1.331 14.875 1.00 0.00 H new ATOM 0 HD3 ARG A 59 0.093 0.187 14.083 1.00 0.00 H new ATOM 0 HE ARG A 59 -0.481 -1.503 11.917 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -2.020 -0.631 14.942 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -3.654 -0.874 14.317 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -2.562 -1.819 11.134 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -3.958 -1.541 12.181 1.00 0.00 H new ATOM 1759 N ASN A 60 3.350 -0.728 9.662 1.00 0.00 N ATOM 1760 CA ASN A 60 3.854 -0.089 8.416 1.00 0.00 C ATOM 1761 C ASN A 60 3.397 1.364 8.355 1.00 0.00 C ATOM 1762 O ASN A 60 3.012 1.951 9.348 1.00 0.00 O ATOM 1763 CB ASN A 60 3.320 -0.852 7.201 1.00 0.00 C ATOM 1764 CG ASN A 60 1.792 -0.776 7.170 1.00 0.00 C ATOM 1765 OD1 ASN A 60 1.173 -1.176 6.204 1.00 0.00 O ATOM 1766 ND2 ASN A 60 1.155 -0.275 8.191 1.00 0.00 N ATOM 0 H ASN A 60 2.527 -1.319 9.542 1.00 0.00 H new ATOM 0 HA ASN A 60 4.944 -0.117 8.412 1.00 0.00 H new ATOM 0 HB2 ASN A 60 3.733 -0.429 6.285 1.00 0.00 H new ATOM 0 HB3 ASN A 60 3.640 -1.893 7.244 1.00 0.00 H new ATOM 0 HD21 ASN A 60 0.137 -0.219 8.179 1.00 0.00 H new ATOM 0 HD22 ASN A 60 1.675 0.061 9.002 1.00 0.00 H new