USER MOD reduce.3.24.130724 H: found=0, std=0, add=419, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 419 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 22 GLN : amide:sc= 0.805 K(o=2,f=-3.7) USER MOD Set 1.2: A 26 TYR OH : rot -135:sc= 1.2 USER MOD Single : A 1 THR N :NH3+ 153:sc= 1.01 (180deg=0.22) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0.191 USER MOD Single : A 5 THR OG1 : rot 130:sc= -0.67 USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= -0.516 K(o=-0.52,f=-14!) USER MOD Single : A 13 GLN : amide:sc= -0.405 K(o=-0.4,f=-3.7!) USER MOD Single : A 16 LYS NZ :NH3+ -119:sc= -0.153 (180deg=-4.42!) USER MOD Single : A 24 THR OG1 : rot 72:sc= 0.475 USER MOD Single : A 25 SER OG : rot 32:sc= 0.677 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.0028 USER MOD Single : A 31 THR OG1 : rot 150:sc= 0.607 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.0313 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 55:sc= 0.458 USER MOD Single : A 44 THR OG1 : rot 160:sc= 1.09 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ -166:sc= 0.935 (180deg=-0.715!) USER MOD Single : A 53 TYR OH : rot 151:sc= 0.873 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 11.701 6.318 9.244 1.00 0.00 N ATOM 2 CA THR A 1 10.405 6.869 9.573 1.00 0.00 C ATOM 3 C THR A 1 9.753 7.125 8.231 1.00 0.00 C ATOM 4 O THR A 1 10.495 7.397 7.297 1.00 0.00 O ATOM 5 CB THR A 1 10.692 8.164 10.350 1.00 0.00 C ATOM 6 OG1 THR A 1 11.889 7.884 11.070 1.00 0.00 O ATOM 7 CG2 THR A 1 9.528 8.558 11.271 1.00 0.00 C ATOM 0 H1 THR A 1 12.372 6.529 10.010 1.00 0.00 H new ATOM 0 H2 THR A 1 11.621 5.288 9.128 1.00 0.00 H new ATOM 0 H3 THR A 1 12.043 6.741 8.358 1.00 0.00 H new ATOM 0 HA THR A 1 9.754 6.240 10.180 1.00 0.00 H new ATOM 0 HB THR A 1 10.807 9.024 9.691 1.00 0.00 H new ATOM 0 HG1 THR A 1 12.145 8.670 11.597 1.00 0.00 H new ATOM 0 HG21 THR A 1 9.777 9.479 11.799 1.00 0.00 H new ATOM 0 HG22 THR A 1 8.629 8.713 10.675 1.00 0.00 H new ATOM 0 HG23 THR A 1 9.351 7.762 11.994 1.00 0.00 H new ATOM 17 N ALA A 2 8.411 6.996 8.186 1.00 0.00 N ATOM 18 CA ALA A 2 7.654 7.151 6.944 1.00 0.00 C ATOM 19 C ALA A 2 8.034 6.043 5.939 1.00 0.00 C ATOM 20 O ALA A 2 8.937 5.246 6.167 1.00 0.00 O ATOM 21 CB ALA A 2 7.809 8.562 6.353 1.00 0.00 C ATOM 0 H ALA A 2 7.836 6.784 9.001 1.00 0.00 H new ATOM 0 HA ALA A 2 6.594 7.036 7.172 1.00 0.00 H new ATOM 0 HB1 ALA A 2 7.232 8.636 5.431 1.00 0.00 H new ATOM 0 HB2 ALA A 2 7.445 9.299 7.069 1.00 0.00 H new ATOM 0 HB3 ALA A 2 8.860 8.753 6.139 1.00 0.00 H new ATOM 27 N LEU A 3 7.260 6.039 4.839 1.00 0.00 N ATOM 28 CA LEU A 3 7.449 5.104 3.738 1.00 0.00 C ATOM 29 C LEU A 3 7.593 5.980 2.485 1.00 0.00 C ATOM 30 O LEU A 3 6.897 6.978 2.330 1.00 0.00 O ATOM 31 CB LEU A 3 6.270 4.114 3.625 1.00 0.00 C ATOM 32 CG LEU A 3 6.501 2.786 4.375 1.00 0.00 C ATOM 33 CD1 LEU A 3 6.326 2.905 5.894 1.00 0.00 C ATOM 34 CD2 LEU A 3 5.549 1.713 3.845 1.00 0.00 C ATOM 0 H LEU A 3 6.487 6.689 4.697 1.00 0.00 H new ATOM 0 HA LEU A 3 8.328 4.476 3.885 1.00 0.00 H new ATOM 0 HB2 LEU A 3 5.370 4.589 4.015 1.00 0.00 H new ATOM 0 HB3 LEU A 3 6.087 3.899 2.572 1.00 0.00 H new ATOM 0 HG LEU A 3 7.539 2.509 4.190 1.00 0.00 H new ATOM 0 HD11 LEU A 3 6.503 1.935 6.358 1.00 0.00 H new ATOM 0 HD12 LEU A 3 7.039 3.630 6.287 1.00 0.00 H new ATOM 0 HD13 LEU A 3 5.312 3.235 6.119 1.00 0.00 H new ATOM 0 HD21 LEU A 3 5.719 0.779 4.380 1.00 0.00 H new ATOM 0 HD22 LEU A 3 4.518 2.035 3.995 1.00 0.00 H new ATOM 0 HD23 LEU A 3 5.730 1.560 2.781 1.00 0.00 H new ATOM 46 N PHE A 4 8.566 5.566 1.652 1.00 0.00 N ATOM 47 CA PHE A 4 8.967 6.281 0.443 1.00 0.00 C ATOM 48 C PHE A 4 8.748 5.327 -0.739 1.00 0.00 C ATOM 49 O PHE A 4 8.694 4.118 -0.549 1.00 0.00 O ATOM 50 CB PHE A 4 10.459 6.664 0.609 1.00 0.00 C ATOM 51 CG PHE A 4 10.680 7.418 1.894 1.00 0.00 C ATOM 52 CD1 PHE A 4 10.382 8.775 1.975 1.00 0.00 C ATOM 53 CD2 PHE A 4 11.171 6.766 3.023 1.00 0.00 C ATOM 54 CE1 PHE A 4 10.566 9.468 3.164 1.00 0.00 C ATOM 55 CE2 PHE A 4 11.351 7.456 4.213 1.00 0.00 C ATOM 56 CZ PHE A 4 11.050 8.808 4.285 1.00 0.00 C ATOM 0 H PHE A 4 9.099 4.711 1.810 1.00 0.00 H new ATOM 0 HA PHE A 4 8.392 7.191 0.270 1.00 0.00 H new ATOM 0 HB2 PHE A 4 11.073 5.763 0.601 1.00 0.00 H new ATOM 0 HB3 PHE A 4 10.778 7.275 -0.235 1.00 0.00 H new ATOM 0 HD1 PHE A 4 10.005 9.293 1.106 1.00 0.00 H new ATOM 0 HD2 PHE A 4 11.413 5.715 2.971 1.00 0.00 H new ATOM 0 HE1 PHE A 4 10.332 10.521 3.217 1.00 0.00 H new ATOM 0 HE2 PHE A 4 11.726 6.940 5.084 1.00 0.00 H new ATOM 0 HZ PHE A 4 11.192 9.346 5.211 1.00 0.00 H new ATOM 66 N THR A 5 8.624 5.905 -1.951 1.00 0.00 N ATOM 67 CA THR A 5 8.379 5.086 -3.130 1.00 0.00 C ATOM 68 C THR A 5 9.715 4.913 -3.872 1.00 0.00 C ATOM 69 O THR A 5 10.725 5.505 -3.518 1.00 0.00 O ATOM 70 CB THR A 5 7.331 5.793 -4.027 1.00 0.00 C ATOM 71 OG1 THR A 5 7.911 6.816 -4.817 1.00 0.00 O ATOM 72 CG2 THR A 5 6.230 6.504 -3.227 1.00 0.00 C ATOM 0 H THR A 5 8.689 6.908 -2.126 1.00 0.00 H new ATOM 0 HA THR A 5 7.988 4.105 -2.858 1.00 0.00 H new ATOM 0 HB THR A 5 6.921 4.982 -4.630 1.00 0.00 H new ATOM 0 HG1 THR A 5 7.640 6.701 -5.752 1.00 0.00 H new ATOM 0 HG21 THR A 5 5.529 6.978 -3.914 1.00 0.00 H new ATOM 0 HG22 THR A 5 5.699 5.777 -2.613 1.00 0.00 H new ATOM 0 HG23 THR A 5 6.679 7.263 -2.585 1.00 0.00 H new ATOM 80 N MET A 6 9.640 4.082 -4.929 1.00 0.00 N ATOM 81 CA MET A 6 10.792 3.823 -5.792 1.00 0.00 C ATOM 82 C MET A 6 10.311 2.985 -6.985 1.00 0.00 C ATOM 83 O MET A 6 10.407 3.384 -8.135 1.00 0.00 O ATOM 84 CB MET A 6 11.988 3.189 -5.038 1.00 0.00 C ATOM 85 CG MET A 6 11.651 2.009 -4.111 1.00 0.00 C ATOM 86 SD MET A 6 13.078 1.536 -3.119 1.00 0.00 S ATOM 87 CE MET A 6 12.223 0.531 -1.892 1.00 0.00 C ATOM 0 H MET A 6 8.793 3.583 -5.200 1.00 0.00 H new ATOM 0 HA MET A 6 11.192 4.769 -6.156 1.00 0.00 H new ATOM 0 HB2 MET A 6 12.718 2.851 -5.774 1.00 0.00 H new ATOM 0 HB3 MET A 6 12.471 3.965 -4.444 1.00 0.00 H new ATOM 0 HG2 MET A 6 10.823 2.282 -3.456 1.00 0.00 H new ATOM 0 HG3 MET A 6 11.320 1.158 -4.706 1.00 0.00 H new ATOM 0 HE1 MET A 6 12.945 0.140 -1.175 1.00 0.00 H new ATOM 0 HE2 MET A 6 11.488 1.143 -1.369 1.00 0.00 H new ATOM 0 HE3 MET A 6 11.719 -0.298 -2.388 1.00 0.00 H new ATOM 97 N GLY A 7 9.744 1.821 -6.617 1.00 0.00 N ATOM 98 CA GLY A 7 9.168 0.914 -7.608 1.00 0.00 C ATOM 99 C GLY A 7 7.667 1.199 -7.815 1.00 0.00 C ATOM 100 O GLY A 7 7.090 0.964 -8.868 1.00 0.00 O ATOM 0 H GLY A 7 9.676 1.496 -5.653 1.00 0.00 H new ATOM 0 HA2 GLY A 7 9.696 1.023 -8.555 1.00 0.00 H new ATOM 0 HA3 GLY A 7 9.304 -0.118 -7.284 1.00 0.00 H new ATOM 104 N GLY A 8 7.093 1.733 -6.719 1.00 0.00 N ATOM 105 CA GLY A 8 5.688 2.129 -6.655 1.00 0.00 C ATOM 106 C GLY A 8 5.371 3.273 -7.632 1.00 0.00 C ATOM 107 O GLY A 8 6.250 3.776 -8.320 1.00 0.00 O ATOM 0 H GLY A 8 7.602 1.899 -5.851 1.00 0.00 H new ATOM 0 HA2 GLY A 8 5.058 1.270 -6.885 1.00 0.00 H new ATOM 0 HA3 GLY A 8 5.444 2.441 -5.639 1.00 0.00 H new ATOM 111 N ASN A 9 4.070 3.633 -7.665 1.00 0.00 N ATOM 112 CA ASN A 9 3.587 4.661 -8.586 1.00 0.00 C ATOM 113 C ASN A 9 3.038 5.858 -7.763 1.00 0.00 C ATOM 114 O ASN A 9 3.765 6.432 -6.958 1.00 0.00 O ATOM 115 CB ASN A 9 2.694 3.980 -9.671 1.00 0.00 C ATOM 116 CG ASN A 9 1.322 3.415 -9.234 1.00 0.00 C ATOM 117 OD1 ASN A 9 0.787 3.774 -8.201 1.00 0.00 O ATOM 118 ND2 ASN A 9 0.701 2.613 -10.112 1.00 0.00 N ATOM 0 H ASN A 9 3.349 3.227 -7.068 1.00 0.00 H new ATOM 0 HA ASN A 9 4.359 5.139 -9.189 1.00 0.00 H new ATOM 0 HB2 ASN A 9 2.518 4.708 -10.463 1.00 0.00 H new ATOM 0 HB3 ASN A 9 3.267 3.163 -10.110 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -0.247 2.286 -9.923 1.00 0.00 H new ATOM 0 HD22 ASN A 9 1.176 2.330 -10.969 1.00 0.00 H new ATOM 125 N ALA A 10 1.760 6.223 -7.997 1.00 0.00 N ATOM 126 CA ALA A 10 1.077 7.283 -7.220 1.00 0.00 C ATOM 127 C ALA A 10 1.898 8.578 -7.059 1.00 0.00 C ATOM 128 O ALA A 10 1.876 9.227 -6.021 1.00 0.00 O ATOM 129 CB ALA A 10 0.710 6.693 -5.853 1.00 0.00 C ATOM 0 H ALA A 10 1.178 5.799 -8.719 1.00 0.00 H new ATOM 0 HA ALA A 10 0.190 7.589 -7.774 1.00 0.00 H new ATOM 0 HB1 ALA A 10 0.204 7.450 -5.254 1.00 0.00 H new ATOM 0 HB2 ALA A 10 0.048 5.838 -5.992 1.00 0.00 H new ATOM 0 HB3 ALA A 10 1.616 6.371 -5.340 1.00 0.00 H new ATOM 135 N GLU A 11 2.620 8.898 -8.146 1.00 0.00 N ATOM 136 CA GLU A 11 3.435 10.101 -8.256 1.00 0.00 C ATOM 137 C GLU A 11 4.369 10.353 -7.050 1.00 0.00 C ATOM 138 O GLU A 11 4.672 11.492 -6.714 1.00 0.00 O ATOM 139 CB GLU A 11 2.546 11.324 -8.556 1.00 0.00 C ATOM 140 CG GLU A 11 1.763 11.209 -9.878 1.00 0.00 C ATOM 141 CD GLU A 11 0.556 10.269 -9.769 1.00 0.00 C ATOM 142 OE1 GLU A 11 -0.480 10.681 -9.248 1.00 0.00 O ATOM 143 OE2 GLU A 11 0.633 9.121 -10.213 1.00 0.00 O ATOM 0 H GLU A 11 2.648 8.313 -8.981 1.00 0.00 H new ATOM 0 HA GLU A 11 4.110 9.935 -9.095 1.00 0.00 H new ATOM 0 HB2 GLU A 11 1.840 11.459 -7.736 1.00 0.00 H new ATOM 0 HB3 GLU A 11 3.170 12.217 -8.590 1.00 0.00 H new ATOM 0 HG2 GLU A 11 1.422 12.199 -10.181 1.00 0.00 H new ATOM 0 HG3 GLU A 11 2.430 10.848 -10.661 1.00 0.00 H new ATOM 150 N GLY A 12 4.839 9.244 -6.441 1.00 0.00 N ATOM 151 CA GLY A 12 5.798 9.393 -5.336 1.00 0.00 C ATOM 152 C GLY A 12 5.114 9.653 -3.978 1.00 0.00 C ATOM 153 O GLY A 12 5.791 9.917 -2.991 1.00 0.00 O ATOM 0 H GLY A 12 4.585 8.286 -6.681 1.00 0.00 H new ATOM 0 HA2 GLY A 12 6.405 8.491 -5.264 1.00 0.00 H new ATOM 0 HA3 GLY A 12 6.476 10.217 -5.559 1.00 0.00 H new ATOM 157 N GLN A 13 3.764 9.580 -3.946 1.00 0.00 N ATOM 158 CA GLN A 13 3.074 9.815 -2.681 1.00 0.00 C ATOM 159 C GLN A 13 3.441 8.717 -1.649 1.00 0.00 C ATOM 160 O GLN A 13 3.605 7.553 -1.994 1.00 0.00 O ATOM 161 CB GLN A 13 1.545 9.844 -2.883 1.00 0.00 C ATOM 162 CG GLN A 13 1.032 11.105 -3.611 1.00 0.00 C ATOM 163 CD GLN A 13 1.017 12.324 -2.674 1.00 0.00 C ATOM 164 OE1 GLN A 13 2.003 12.669 -2.042 1.00 0.00 O ATOM 165 NE2 GLN A 13 -0.167 12.944 -2.597 1.00 0.00 N ATOM 0 H GLN A 13 3.165 9.370 -4.745 1.00 0.00 H new ATOM 0 HA GLN A 13 3.396 10.785 -2.302 1.00 0.00 H new ATOM 0 HB2 GLN A 13 1.247 8.963 -3.451 1.00 0.00 H new ATOM 0 HB3 GLN A 13 1.059 9.776 -1.910 1.00 0.00 H new ATOM 0 HG2 GLN A 13 1.667 11.314 -4.472 1.00 0.00 H new ATOM 0 HG3 GLN A 13 0.027 10.924 -3.992 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -0.955 12.609 -3.151 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -0.281 13.752 -1.985 1.00 0.00 H new ATOM 174 N PRO A 14 3.554 9.128 -0.355 1.00 0.00 N ATOM 175 CA PRO A 14 3.862 8.199 0.725 1.00 0.00 C ATOM 176 C PRO A 14 2.658 7.294 1.047 1.00 0.00 C ATOM 177 O PRO A 14 1.502 7.726 1.027 1.00 0.00 O ATOM 178 CB PRO A 14 4.196 9.108 1.914 1.00 0.00 C ATOM 179 CG PRO A 14 3.435 10.411 1.643 1.00 0.00 C ATOM 180 CD PRO A 14 3.387 10.505 0.115 1.00 0.00 C ATOM 0 HA PRO A 14 4.678 7.523 0.469 1.00 0.00 H new ATOM 0 HB2 PRO A 14 3.883 8.657 2.856 1.00 0.00 H new ATOM 0 HB3 PRO A 14 5.269 9.285 1.986 1.00 0.00 H new ATOM 0 HG2 PRO A 14 2.433 10.384 2.072 1.00 0.00 H new ATOM 0 HG3 PRO A 14 3.946 11.269 2.079 1.00 0.00 H new ATOM 0 HD2 PRO A 14 2.441 10.926 -0.225 1.00 0.00 H new ATOM 0 HD3 PRO A 14 4.178 11.151 -0.266 1.00 0.00 H new ATOM 188 N CYS A 15 3.021 6.027 1.369 1.00 0.00 N ATOM 189 CA CYS A 15 2.063 4.976 1.738 1.00 0.00 C ATOM 190 C CYS A 15 0.967 5.535 2.643 1.00 0.00 C ATOM 191 O CYS A 15 1.180 6.455 3.429 1.00 0.00 O ATOM 192 CB CYS A 15 2.778 3.913 2.572 1.00 0.00 C ATOM 193 SG CYS A 15 3.803 2.812 1.575 1.00 0.00 S ATOM 0 H CYS A 15 3.992 5.713 1.377 1.00 0.00 H new ATOM 0 HA CYS A 15 1.645 4.574 0.815 1.00 0.00 H new ATOM 0 HB2 CYS A 15 3.401 4.403 3.320 1.00 0.00 H new ATOM 0 HB3 CYS A 15 2.037 3.323 3.112 1.00 0.00 H new ATOM 198 N LYS A 16 -0.240 4.993 2.435 1.00 0.00 N ATOM 199 CA LYS A 16 -1.413 5.503 3.121 1.00 0.00 C ATOM 200 C LYS A 16 -2.043 4.391 3.945 1.00 0.00 C ATOM 201 O LYS A 16 -2.149 3.247 3.527 1.00 0.00 O ATOM 202 CB LYS A 16 -2.384 6.015 2.043 1.00 0.00 C ATOM 203 CG LYS A 16 -3.422 7.074 2.517 1.00 0.00 C ATOM 204 CD LYS A 16 -2.814 8.485 2.616 1.00 0.00 C ATOM 205 CE LYS A 16 -1.553 8.761 3.457 1.00 0.00 C ATOM 206 NZ LYS A 16 -0.260 8.462 2.819 1.00 0.00 N ATOM 0 H LYS A 16 -0.419 4.212 1.804 1.00 0.00 H new ATOM 0 HA LYS A 16 -1.157 6.313 3.803 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.800 6.445 1.229 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -2.924 5.162 1.632 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -4.263 7.091 1.824 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -3.817 6.782 3.490 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -2.593 8.807 1.598 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.597 9.142 2.995 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -1.557 9.813 3.743 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.622 8.180 4.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 0.240 7.736 3.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -0.422 8.112 1.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 0.317 9.327 2.782 1.00 0.00 H new ATOM 220 N PHE A 17 -2.407 4.826 5.156 1.00 0.00 N ATOM 221 CA PHE A 17 -3.035 3.949 6.131 1.00 0.00 C ATOM 222 C PHE A 17 -4.173 4.775 6.746 1.00 0.00 C ATOM 223 O PHE A 17 -3.933 5.920 7.112 1.00 0.00 O ATOM 224 CB PHE A 17 -2.015 3.555 7.223 1.00 0.00 C ATOM 225 CG PHE A 17 -0.809 2.832 6.671 1.00 0.00 C ATOM 226 CD1 PHE A 17 -0.946 1.604 6.038 1.00 0.00 C ATOM 227 CD2 PHE A 17 0.469 3.370 6.794 1.00 0.00 C ATOM 228 CE1 PHE A 17 0.161 0.920 5.562 1.00 0.00 C ATOM 229 CE2 PHE A 17 1.580 2.689 6.316 1.00 0.00 C ATOM 230 CZ PHE A 17 1.430 1.452 5.708 1.00 0.00 C ATOM 0 H PHE A 17 -2.274 5.785 5.478 1.00 0.00 H new ATOM 0 HA PHE A 17 -3.399 3.028 5.677 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -1.686 4.453 7.746 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -2.507 2.920 7.960 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -1.930 1.176 5.915 1.00 0.00 H new ATOM 0 HD2 PHE A 17 0.598 4.332 7.268 1.00 0.00 H new ATOM 0 HE1 PHE A 17 0.033 -0.035 5.074 1.00 0.00 H new ATOM 0 HE2 PHE A 17 2.563 3.124 6.418 1.00 0.00 H new ATOM 0 HZ PHE A 17 2.294 0.910 5.352 1.00 0.00 H new ATOM 240 N PRO A 18 -5.403 4.207 6.853 1.00 0.00 N ATOM 241 CA PRO A 18 -5.815 2.906 6.319 1.00 0.00 C ATOM 242 C PRO A 18 -6.066 2.992 4.802 1.00 0.00 C ATOM 243 O PRO A 18 -6.754 3.895 4.344 1.00 0.00 O ATOM 244 CB PRO A 18 -7.171 2.653 6.999 1.00 0.00 C ATOM 245 CG PRO A 18 -7.725 4.045 7.310 1.00 0.00 C ATOM 246 CD PRO A 18 -6.484 4.910 7.542 1.00 0.00 C ATOM 0 HA PRO A 18 -5.062 2.138 6.495 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -7.843 2.098 6.344 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -7.053 2.063 7.908 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -8.326 4.426 6.484 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -8.367 4.029 8.190 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -6.621 5.914 7.141 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -6.271 5.018 8.605 1.00 0.00 H new ATOM 254 N PHE A 19 -5.515 2.013 4.058 1.00 0.00 N ATOM 255 CA PHE A 19 -5.812 1.935 2.631 1.00 0.00 C ATOM 256 C PHE A 19 -6.746 0.726 2.464 1.00 0.00 C ATOM 257 O PHE A 19 -6.443 -0.385 2.885 1.00 0.00 O ATOM 258 CB PHE A 19 -4.586 1.800 1.705 1.00 0.00 C ATOM 259 CG PHE A 19 -3.794 0.495 1.860 1.00 0.00 C ATOM 260 CD1 PHE A 19 -2.918 0.221 2.927 1.00 0.00 C ATOM 261 CD2 PHE A 19 -3.938 -0.478 0.861 1.00 0.00 C ATOM 262 CE1 PHE A 19 -2.165 -0.944 2.943 1.00 0.00 C ATOM 263 CE2 PHE A 19 -3.175 -1.667 0.888 1.00 0.00 C ATOM 264 CZ PHE A 19 -2.279 -1.875 1.924 1.00 0.00 C ATOM 0 H PHE A 19 -4.885 1.293 4.413 1.00 0.00 H new ATOM 0 HA PHE A 19 -6.261 2.879 2.322 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -4.920 1.883 0.671 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -3.915 2.638 1.892 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -2.831 0.925 3.742 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -4.643 -0.316 0.059 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -1.482 -1.127 3.759 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -3.289 -2.406 0.109 1.00 0.00 H new ATOM 0 HZ PHE A 19 -1.668 -2.765 1.937 1.00 0.00 H new ATOM 274 N ARG A 20 -7.909 0.990 1.850 1.00 0.00 N ATOM 275 CA ARG A 20 -8.868 -0.083 1.637 1.00 0.00 C ATOM 276 C ARG A 20 -8.532 -0.775 0.306 1.00 0.00 C ATOM 277 O ARG A 20 -8.170 -0.119 -0.662 1.00 0.00 O ATOM 278 CB ARG A 20 -10.300 0.503 1.701 1.00 0.00 C ATOM 279 CG ARG A 20 -11.042 0.645 0.358 1.00 0.00 C ATOM 280 CD ARG A 20 -11.848 -0.630 -0.036 1.00 0.00 C ATOM 281 NE ARG A 20 -12.862 -0.962 0.986 1.00 0.00 N ATOM 282 CZ ARG A 20 -14.069 -0.369 0.962 1.00 0.00 C ATOM 283 NH1 ARG A 20 -14.295 0.711 0.206 1.00 0.00 N ATOM 284 NH2 ARG A 20 -15.025 -0.915 1.711 1.00 0.00 N ATOM 0 H ARG A 20 -8.194 1.907 1.506 1.00 0.00 H new ATOM 0 HA ARG A 20 -8.814 -0.846 2.414 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -10.899 -0.129 2.357 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -10.246 1.487 2.167 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -11.723 1.494 0.414 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -10.319 0.867 -0.427 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -12.336 -0.471 -0.998 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -11.165 -1.470 -0.160 1.00 0.00 H new ATOM 0 HE ARG A 20 -12.646 -1.644 1.713 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -13.545 1.099 -0.366 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -15.217 1.146 0.201 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -14.824 -1.745 2.268 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -15.958 -0.503 1.727 1.00 0.00 H new ATOM 298 N PHE A 21 -8.672 -2.108 0.312 1.00 0.00 N ATOM 299 CA PHE A 21 -8.433 -2.908 -0.887 1.00 0.00 C ATOM 300 C PHE A 21 -9.289 -4.172 -0.726 1.00 0.00 C ATOM 301 O PHE A 21 -9.546 -4.609 0.389 1.00 0.00 O ATOM 302 CB PHE A 21 -6.928 -3.200 -1.009 1.00 0.00 C ATOM 303 CG PHE A 21 -6.608 -4.228 -2.057 1.00 0.00 C ATOM 304 CD1 PHE A 21 -7.045 -4.057 -3.356 1.00 0.00 C ATOM 305 CD2 PHE A 21 -5.866 -5.354 -1.746 1.00 0.00 C ATOM 306 CE1 PHE A 21 -6.705 -4.948 -4.362 1.00 0.00 C ATOM 307 CE2 PHE A 21 -5.514 -6.254 -2.747 1.00 0.00 C ATOM 308 CZ PHE A 21 -5.920 -6.049 -4.058 1.00 0.00 C ATOM 0 H PHE A 21 -8.948 -2.648 1.132 1.00 0.00 H new ATOM 0 HA PHE A 21 -8.714 -2.400 -1.810 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -6.403 -2.274 -1.245 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -6.552 -3.543 -0.045 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -7.668 -3.207 -3.594 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -5.560 -5.534 -0.726 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -7.049 -4.786 -5.373 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -4.919 -7.121 -2.501 1.00 0.00 H new ATOM 0 HZ PHE A 21 -5.627 -6.741 -4.834 1.00 0.00 H new ATOM 318 N GLN A 22 -9.746 -4.728 -1.864 1.00 0.00 N ATOM 319 CA GLN A 22 -10.611 -5.907 -1.853 1.00 0.00 C ATOM 320 C GLN A 22 -11.836 -5.645 -0.933 1.00 0.00 C ATOM 321 O GLN A 22 -12.295 -6.527 -0.213 1.00 0.00 O ATOM 322 CB GLN A 22 -9.882 -7.205 -1.389 1.00 0.00 C ATOM 323 CG GLN A 22 -8.743 -7.711 -2.308 1.00 0.00 C ATOM 324 CD GLN A 22 -7.686 -8.484 -1.502 1.00 0.00 C ATOM 325 OE1 GLN A 22 -6.928 -7.906 -0.739 1.00 0.00 O ATOM 326 NE2 GLN A 22 -7.651 -9.804 -1.718 1.00 0.00 N ATOM 0 H GLN A 22 -9.528 -4.376 -2.796 1.00 0.00 H new ATOM 0 HA GLN A 22 -10.927 -6.073 -2.883 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -9.469 -7.030 -0.395 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -10.623 -7.999 -1.292 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -9.156 -8.355 -3.084 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -8.275 -6.865 -2.812 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -8.310 -10.232 -2.368 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -6.965 -10.382 -1.233 1.00 0.00 H new ATOM 335 N GLY A 23 -12.312 -4.377 -0.938 1.00 0.00 N ATOM 336 CA GLY A 23 -13.453 -4.011 -0.103 1.00 0.00 C ATOM 337 C GLY A 23 -13.131 -3.913 1.404 1.00 0.00 C ATOM 338 O GLY A 23 -13.935 -3.400 2.180 1.00 0.00 O ATOM 0 H GLY A 23 -11.928 -3.617 -1.499 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -13.844 -3.052 -0.442 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -14.244 -4.747 -0.247 1.00 0.00 H new ATOM 342 N THR A 24 -11.931 -4.399 1.765 1.00 0.00 N ATOM 343 CA THR A 24 -11.452 -4.524 3.132 1.00 0.00 C ATOM 344 C THR A 24 -10.514 -3.345 3.446 1.00 0.00 C ATOM 345 O THR A 24 -10.197 -2.558 2.567 1.00 0.00 O ATOM 346 CB THR A 24 -10.732 -5.893 3.155 1.00 0.00 C ATOM 347 OG1 THR A 24 -11.574 -6.879 2.571 1.00 0.00 O ATOM 348 CG2 THR A 24 -10.389 -6.390 4.565 1.00 0.00 C ATOM 0 H THR A 24 -11.250 -4.725 1.079 1.00 0.00 H new ATOM 0 HA THR A 24 -12.235 -4.489 3.890 1.00 0.00 H new ATOM 0 HB THR A 24 -9.803 -5.745 2.605 1.00 0.00 H new ATOM 0 HG1 THR A 24 -11.617 -6.740 1.602 1.00 0.00 H new ATOM 0 HG21 THR A 24 -9.886 -7.355 4.498 1.00 0.00 H new ATOM 0 HG22 THR A 24 -9.731 -5.671 5.054 1.00 0.00 H new ATOM 0 HG23 THR A 24 -11.305 -6.497 5.146 1.00 0.00 H new ATOM 356 N SER A 25 -10.122 -3.240 4.730 1.00 0.00 N ATOM 357 CA SER A 25 -9.274 -2.164 5.236 1.00 0.00 C ATOM 358 C SER A 25 -7.902 -2.722 5.649 1.00 0.00 C ATOM 359 O SER A 25 -7.851 -3.674 6.420 1.00 0.00 O ATOM 360 CB SER A 25 -9.965 -1.677 6.515 1.00 0.00 C ATOM 361 OG SER A 25 -10.297 -2.795 7.325 1.00 0.00 O ATOM 0 H SER A 25 -10.393 -3.913 5.447 1.00 0.00 H new ATOM 0 HA SER A 25 -9.136 -1.387 4.484 1.00 0.00 H new ATOM 0 HB2 SER A 25 -9.308 -1.000 7.061 1.00 0.00 H new ATOM 0 HB3 SER A 25 -10.865 -1.115 6.264 1.00 0.00 H new ATOM 0 HG SER A 25 -9.632 -3.503 7.194 1.00 0.00 H new ATOM 367 N TYR A 26 -6.828 -2.082 5.141 1.00 0.00 N ATOM 368 CA TYR A 26 -5.464 -2.477 5.483 1.00 0.00 C ATOM 369 C TYR A 26 -4.726 -1.281 6.109 1.00 0.00 C ATOM 370 O TYR A 26 -4.690 -0.190 5.555 1.00 0.00 O ATOM 371 CB TYR A 26 -4.702 -2.892 4.217 1.00 0.00 C ATOM 372 CG TYR A 26 -5.300 -4.097 3.548 1.00 0.00 C ATOM 373 CD1 TYR A 26 -4.899 -5.375 3.913 1.00 0.00 C ATOM 374 CD2 TYR A 26 -6.259 -3.957 2.552 1.00 0.00 C ATOM 375 CE1 TYR A 26 -5.473 -6.484 3.314 1.00 0.00 C ATOM 376 CE2 TYR A 26 -6.820 -5.076 1.954 1.00 0.00 C ATOM 377 CZ TYR A 26 -6.455 -6.342 2.364 1.00 0.00 C ATOM 378 OH TYR A 26 -7.060 -7.472 1.866 1.00 0.00 O ATOM 0 H TYR A 26 -6.888 -1.294 4.496 1.00 0.00 H new ATOM 0 HA TYR A 26 -5.509 -3.311 6.183 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -4.693 -2.059 3.514 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -3.664 -3.103 4.475 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -4.137 -5.505 4.667 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -6.570 -2.970 2.241 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -5.144 -7.473 3.597 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -7.546 -4.956 1.164 1.00 0.00 H new ATOM 0 HH TYR A 26 -7.134 -7.401 0.891 1.00 0.00 H new ATOM 388 N ASP A 27 -4.104 -1.571 7.264 1.00 0.00 N ATOM 389 CA ASP A 27 -3.303 -0.579 7.984 1.00 0.00 C ATOM 390 C ASP A 27 -1.863 -1.102 8.094 1.00 0.00 C ATOM 391 O ASP A 27 -1.143 -0.831 9.047 1.00 0.00 O ATOM 392 CB ASP A 27 -3.912 -0.337 9.374 1.00 0.00 C ATOM 393 CG ASP A 27 -5.171 0.524 9.242 1.00 0.00 C ATOM 394 OD1 ASP A 27 -6.248 -0.032 9.028 1.00 0.00 O ATOM 395 OD2 ASP A 27 -5.051 1.744 9.343 1.00 0.00 O ATOM 0 H ASP A 27 -4.143 -2.485 7.715 1.00 0.00 H new ATOM 0 HA ASP A 27 -3.297 0.371 7.449 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -4.158 -1.289 9.845 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -3.186 0.159 10.018 1.00 0.00 H new ATOM 400 N SER A 28 -1.485 -1.891 7.069 1.00 0.00 N ATOM 401 CA SER A 28 -0.166 -2.493 7.088 1.00 0.00 C ATOM 402 C SER A 28 0.150 -3.009 5.683 1.00 0.00 C ATOM 403 O SER A 28 -0.744 -3.288 4.893 1.00 0.00 O ATOM 404 CB SER A 28 -0.202 -3.683 8.077 1.00 0.00 C ATOM 405 OG SER A 28 -1.300 -4.535 7.788 1.00 0.00 O ATOM 0 H SER A 28 -2.058 -2.112 6.255 1.00 0.00 H new ATOM 0 HA SER A 28 0.592 -1.772 7.393 1.00 0.00 H new ATOM 0 HB2 SER A 28 0.729 -4.246 8.013 1.00 0.00 H new ATOM 0 HB3 SER A 28 -0.281 -3.312 9.099 1.00 0.00 H new ATOM 0 HG SER A 28 -1.309 -5.284 8.420 1.00 0.00 H new ATOM 411 N CYS A 29 1.467 -3.151 5.464 1.00 0.00 N ATOM 412 CA CYS A 29 2.022 -3.684 4.222 1.00 0.00 C ATOM 413 C CYS A 29 1.386 -5.040 3.835 1.00 0.00 C ATOM 414 O CYS A 29 1.420 -5.977 4.630 1.00 0.00 O ATOM 415 CB CYS A 29 3.495 -3.941 4.536 1.00 0.00 C ATOM 416 SG CYS A 29 4.348 -2.438 5.054 1.00 0.00 S ATOM 0 H CYS A 29 2.176 -2.896 6.152 1.00 0.00 H new ATOM 0 HA CYS A 29 1.845 -2.990 3.400 1.00 0.00 H new ATOM 0 HB2 CYS A 29 3.572 -4.691 5.323 1.00 0.00 H new ATOM 0 HB3 CYS A 29 3.987 -4.352 3.654 1.00 0.00 H new ATOM 421 N THR A 30 0.818 -5.120 2.607 1.00 0.00 N ATOM 422 CA THR A 30 0.167 -6.359 2.176 1.00 0.00 C ATOM 423 C THR A 30 0.887 -6.927 0.948 1.00 0.00 C ATOM 424 O THR A 30 1.690 -6.268 0.303 1.00 0.00 O ATOM 425 CB THR A 30 -1.330 -6.120 1.890 1.00 0.00 C ATOM 426 OG1 THR A 30 -1.950 -7.392 1.747 1.00 0.00 O ATOM 427 CG2 THR A 30 -1.582 -5.287 0.614 1.00 0.00 C ATOM 0 H THR A 30 0.801 -4.362 1.924 1.00 0.00 H new ATOM 0 HA THR A 30 0.232 -7.092 2.981 1.00 0.00 H new ATOM 0 HB THR A 30 -1.746 -5.549 2.720 1.00 0.00 H new ATOM 0 HG1 THR A 30 -2.906 -7.272 1.566 1.00 0.00 H new ATOM 0 HG21 THR A 30 -2.655 -5.156 0.471 1.00 0.00 H new ATOM 0 HG22 THR A 30 -1.108 -4.311 0.717 1.00 0.00 H new ATOM 0 HG23 THR A 30 -1.162 -5.805 -0.248 1.00 0.00 H new ATOM 435 N THR A 31 0.510 -8.185 0.674 1.00 0.00 N ATOM 436 CA THR A 31 0.985 -8.908 -0.503 1.00 0.00 C ATOM 437 C THR A 31 -0.199 -9.333 -1.393 1.00 0.00 C ATOM 438 O THR A 31 -0.006 -9.919 -2.451 1.00 0.00 O ATOM 439 CB THR A 31 1.852 -10.117 -0.077 1.00 0.00 C ATOM 440 OG1 THR A 31 1.670 -10.417 1.308 1.00 0.00 O ATOM 441 CG2 THR A 31 3.334 -9.819 -0.323 1.00 0.00 C ATOM 0 H THR A 31 -0.128 -8.722 1.261 1.00 0.00 H new ATOM 0 HA THR A 31 1.614 -8.245 -1.097 1.00 0.00 H new ATOM 0 HB THR A 31 1.539 -10.974 -0.674 1.00 0.00 H new ATOM 0 HG1 THR A 31 1.800 -11.377 1.455 1.00 0.00 H new ATOM 0 HG21 THR A 31 3.933 -10.677 -0.019 1.00 0.00 H new ATOM 0 HG22 THR A 31 3.494 -9.622 -1.383 1.00 0.00 H new ATOM 0 HG23 THR A 31 3.631 -8.946 0.258 1.00 0.00 H new ATOM 449 N GLU A 32 -1.433 -9.022 -0.937 1.00 0.00 N ATOM 450 CA GLU A 32 -2.592 -9.413 -1.727 1.00 0.00 C ATOM 451 C GLU A 32 -2.530 -8.727 -3.100 1.00 0.00 C ATOM 452 O GLU A 32 -2.421 -7.512 -3.194 1.00 0.00 O ATOM 453 CB GLU A 32 -3.875 -9.017 -0.978 1.00 0.00 C ATOM 454 CG GLU A 32 -4.131 -9.854 0.284 1.00 0.00 C ATOM 455 CD GLU A 32 -4.450 -11.303 -0.108 1.00 0.00 C ATOM 456 OE1 GLU A 32 -5.551 -11.547 -0.600 1.00 0.00 O ATOM 457 OE2 GLU A 32 -3.588 -12.162 0.066 1.00 0.00 O ATOM 0 H GLU A 32 -1.635 -8.526 -0.069 1.00 0.00 H new ATOM 0 HA GLU A 32 -2.594 -10.493 -1.878 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -3.814 -7.965 -0.700 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -4.726 -9.120 -1.651 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -3.255 -9.828 0.933 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -4.960 -9.430 0.850 1.00 0.00 H new ATOM 464 N GLY A 33 -2.586 -9.573 -4.144 1.00 0.00 N ATOM 465 CA GLY A 33 -2.549 -9.067 -5.512 1.00 0.00 C ATOM 466 C GLY A 33 -1.173 -9.213 -6.179 1.00 0.00 C ATOM 467 O GLY A 33 -1.076 -9.103 -7.394 1.00 0.00 O ATOM 0 H GLY A 33 -2.655 -10.587 -4.063 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -3.292 -9.597 -6.108 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -2.834 -8.015 -5.510 1.00 0.00 H new ATOM 471 N ARG A 34 -0.125 -9.470 -5.365 1.00 0.00 N ATOM 472 CA ARG A 34 1.207 -9.636 -5.985 1.00 0.00 C ATOM 473 C ARG A 34 1.722 -11.051 -5.699 1.00 0.00 C ATOM 474 O ARG A 34 1.770 -11.509 -4.566 1.00 0.00 O ATOM 475 CB ARG A 34 2.209 -8.633 -5.403 1.00 0.00 C ATOM 476 CG ARG A 34 1.858 -7.178 -5.756 1.00 0.00 C ATOM 477 CD ARG A 34 3.076 -6.233 -5.630 1.00 0.00 C ATOM 478 NE ARG A 34 3.926 -6.342 -6.830 1.00 0.00 N ATOM 479 CZ ARG A 34 4.042 -5.376 -7.774 1.00 0.00 C ATOM 480 NH1 ARG A 34 3.355 -4.243 -7.682 1.00 0.00 N ATOM 481 NH2 ARG A 34 4.855 -5.572 -8.804 1.00 0.00 N ATOM 0 H ARG A 34 -0.164 -9.562 -4.350 1.00 0.00 H new ATOM 0 HA ARG A 34 1.110 -9.466 -7.057 1.00 0.00 H new ATOM 0 HB2 ARG A 34 2.240 -8.743 -4.319 1.00 0.00 H new ATOM 0 HB3 ARG A 34 3.207 -8.863 -5.776 1.00 0.00 H new ATOM 0 HG2 ARG A 34 1.473 -7.137 -6.775 1.00 0.00 H new ATOM 0 HG3 ARG A 34 1.061 -6.829 -5.099 1.00 0.00 H new ATOM 0 HD2 ARG A 34 2.737 -5.204 -5.507 1.00 0.00 H new ATOM 0 HD3 ARG A 34 3.653 -6.487 -4.741 1.00 0.00 H new ATOM 0 HE ARG A 34 4.462 -7.200 -6.958 1.00 0.00 H new ATOM 0 HH11 ARG A 34 2.728 -4.089 -6.892 1.00 0.00 H new ATOM 0 HH12 ARG A 34 3.454 -3.527 -8.401 1.00 0.00 H new ATOM 0 HH21 ARG A 34 5.383 -6.441 -8.878 1.00 0.00 H new ATOM 0 HH22 ARG A 34 4.952 -4.853 -9.521 1.00 0.00 H new ATOM 495 N THR A 35 2.143 -11.690 -6.800 1.00 0.00 N ATOM 496 CA THR A 35 2.691 -13.035 -6.761 1.00 0.00 C ATOM 497 C THR A 35 4.199 -13.000 -7.073 1.00 0.00 C ATOM 498 O THR A 35 4.811 -14.024 -7.348 1.00 0.00 O ATOM 499 CB THR A 35 1.926 -13.839 -7.822 1.00 0.00 C ATOM 500 OG1 THR A 35 1.799 -12.993 -8.958 1.00 0.00 O ATOM 501 CG2 THR A 35 0.534 -14.243 -7.309 1.00 0.00 C ATOM 0 H THR A 35 2.110 -11.283 -7.735 1.00 0.00 H new ATOM 0 HA THR A 35 2.580 -13.489 -5.776 1.00 0.00 H new ATOM 0 HB THR A 35 2.459 -14.758 -8.065 1.00 0.00 H new ATOM 0 HG1 THR A 35 1.316 -13.467 -9.667 1.00 0.00 H new ATOM 0 HG21 THR A 35 0.013 -14.811 -8.080 1.00 0.00 H new ATOM 0 HG22 THR A 35 0.640 -14.857 -6.415 1.00 0.00 H new ATOM 0 HG23 THR A 35 -0.039 -13.348 -7.069 1.00 0.00 H new ATOM 509 N ASP A 36 4.762 -11.773 -6.990 1.00 0.00 N ATOM 510 CA ASP A 36 6.181 -11.554 -7.263 1.00 0.00 C ATOM 511 C ASP A 36 6.981 -11.325 -5.962 1.00 0.00 C ATOM 512 O ASP A 36 8.187 -11.115 -5.997 1.00 0.00 O ATOM 513 CB ASP A 36 6.341 -10.378 -8.248 1.00 0.00 C ATOM 514 CG ASP A 36 5.804 -9.028 -7.741 1.00 0.00 C ATOM 515 OD1 ASP A 36 5.443 -8.907 -6.575 1.00 0.00 O ATOM 516 OD2 ASP A 36 5.748 -8.083 -8.523 1.00 0.00 O ATOM 0 H ASP A 36 4.249 -10.929 -6.736 1.00 0.00 H new ATOM 0 HA ASP A 36 6.593 -12.452 -7.724 1.00 0.00 H new ATOM 0 HB2 ASP A 36 7.399 -10.265 -8.487 1.00 0.00 H new ATOM 0 HB3 ASP A 36 5.830 -10.630 -9.177 1.00 0.00 H new ATOM 521 N GLY A 37 6.262 -11.419 -4.819 1.00 0.00 N ATOM 522 CA GLY A 37 6.909 -11.324 -3.513 1.00 0.00 C ATOM 523 C GLY A 37 6.669 -9.997 -2.789 1.00 0.00 C ATOM 524 O GLY A 37 6.383 -9.960 -1.598 1.00 0.00 O ATOM 0 H GLY A 37 5.252 -11.558 -4.785 1.00 0.00 H new ATOM 0 HA2 GLY A 37 6.552 -12.139 -2.883 1.00 0.00 H new ATOM 0 HA3 GLY A 37 7.982 -11.467 -3.640 1.00 0.00 H new ATOM 528 N TYR A 38 6.882 -8.928 -3.571 1.00 0.00 N ATOM 529 CA TYR A 38 6.951 -7.585 -3.000 1.00 0.00 C ATOM 530 C TYR A 38 5.706 -7.149 -2.216 1.00 0.00 C ATOM 531 O TYR A 38 4.567 -7.290 -2.648 1.00 0.00 O ATOM 532 CB TYR A 38 7.409 -6.567 -4.058 1.00 0.00 C ATOM 533 CG TYR A 38 8.500 -7.195 -4.884 1.00 0.00 C ATOM 534 CD1 TYR A 38 9.675 -7.639 -4.298 1.00 0.00 C ATOM 535 CD2 TYR A 38 8.325 -7.437 -6.234 1.00 0.00 C ATOM 536 CE1 TYR A 38 10.604 -8.355 -5.017 1.00 0.00 C ATOM 537 CE2 TYR A 38 9.253 -8.152 -6.956 1.00 0.00 C ATOM 538 CZ TYR A 38 10.398 -8.632 -6.353 1.00 0.00 C ATOM 539 OH TYR A 38 11.307 -9.388 -7.060 1.00 0.00 O ATOM 0 H TYR A 38 7.007 -8.970 -4.582 1.00 0.00 H new ATOM 0 HA TYR A 38 7.716 -7.622 -2.225 1.00 0.00 H new ATOM 0 HB2 TYR A 38 6.572 -6.278 -4.693 1.00 0.00 H new ATOM 0 HB3 TYR A 38 7.773 -5.659 -3.577 1.00 0.00 H new ATOM 0 HD1 TYR A 38 9.865 -7.419 -3.258 1.00 0.00 H new ATOM 0 HD2 TYR A 38 7.444 -7.058 -6.731 1.00 0.00 H new ATOM 0 HE1 TYR A 38 11.503 -8.704 -4.531 1.00 0.00 H new ATOM 0 HE2 TYR A 38 9.084 -8.340 -8.006 1.00 0.00 H new ATOM 0 HH TYR A 38 11.002 -9.484 -7.986 1.00 0.00 H new ATOM 549 N ARG A 39 6.023 -6.595 -1.031 1.00 0.00 N ATOM 550 CA ARG A 39 4.935 -6.086 -0.169 1.00 0.00 C ATOM 551 C ARG A 39 4.655 -4.637 -0.603 1.00 0.00 C ATOM 552 O ARG A 39 5.574 -3.838 -0.745 1.00 0.00 O ATOM 553 CB ARG A 39 5.399 -6.159 1.299 1.00 0.00 C ATOM 554 CG ARG A 39 5.885 -7.558 1.723 1.00 0.00 C ATOM 555 CD ARG A 39 5.830 -7.781 3.253 1.00 0.00 C ATOM 556 NE ARG A 39 4.466 -7.682 3.781 1.00 0.00 N ATOM 557 CZ ARG A 39 3.486 -8.562 3.474 1.00 0.00 C ATOM 558 NH1 ARG A 39 3.738 -9.604 2.694 1.00 0.00 N ATOM 559 NH2 ARG A 39 2.258 -8.378 3.942 1.00 0.00 N ATOM 0 H ARG A 39 6.968 -6.490 -0.661 1.00 0.00 H new ATOM 0 HA ARG A 39 4.022 -6.674 -0.262 1.00 0.00 H new ATOM 0 HB2 ARG A 39 6.205 -5.441 1.453 1.00 0.00 H new ATOM 0 HB3 ARG A 39 4.576 -5.858 1.947 1.00 0.00 H new ATOM 0 HG2 ARG A 39 5.274 -8.314 1.229 1.00 0.00 H new ATOM 0 HG3 ARG A 39 6.909 -7.701 1.377 1.00 0.00 H new ATOM 0 HD2 ARG A 39 6.238 -8.764 3.490 1.00 0.00 H new ATOM 0 HD3 ARG A 39 6.463 -7.045 3.748 1.00 0.00 H new ATOM 0 HE ARG A 39 4.245 -6.911 4.411 1.00 0.00 H new ATOM 0 HH11 ARG A 39 4.677 -9.747 2.321 1.00 0.00 H new ATOM 0 HH12 ARG A 39 2.993 -10.263 2.467 1.00 0.00 H new ATOM 0 HH21 ARG A 39 2.053 -7.573 4.533 1.00 0.00 H new ATOM 0 HH22 ARG A 39 1.519 -9.042 3.710 1.00 0.00 H new ATOM 573 N TRP A 40 3.357 -4.349 -0.832 1.00 0.00 N ATOM 574 CA TRP A 40 2.931 -3.034 -1.293 1.00 0.00 C ATOM 575 C TRP A 40 1.942 -2.411 -0.289 1.00 0.00 C ATOM 576 O TRP A 40 1.376 -3.091 0.565 1.00 0.00 O ATOM 577 CB TRP A 40 2.317 -3.154 -2.704 1.00 0.00 C ATOM 578 CG TRP A 40 1.000 -3.913 -2.700 1.00 0.00 C ATOM 579 CD1 TRP A 40 0.849 -5.304 -2.742 1.00 0.00 C ATOM 580 CD2 TRP A 40 -0.338 -3.361 -2.691 1.00 0.00 C ATOM 581 NE1 TRP A 40 -0.468 -5.610 -2.771 1.00 0.00 N ATOM 582 CE2 TRP A 40 -1.226 -4.456 -2.743 1.00 0.00 C ATOM 583 CE3 TRP A 40 -0.844 -2.090 -2.641 1.00 0.00 C ATOM 584 CZ2 TRP A 40 -2.572 -4.250 -2.751 1.00 0.00 C ATOM 585 CZ3 TRP A 40 -2.227 -1.869 -2.645 1.00 0.00 C ATOM 586 CH2 TRP A 40 -3.093 -2.961 -2.703 1.00 0.00 C ATOM 0 H TRP A 40 2.596 -5.015 -0.702 1.00 0.00 H new ATOM 0 HA TRP A 40 3.793 -2.370 -1.355 1.00 0.00 H new ATOM 0 HB2 TRP A 40 2.157 -2.157 -3.114 1.00 0.00 H new ATOM 0 HB3 TRP A 40 3.023 -3.660 -3.363 1.00 0.00 H new ATOM 0 HD1 TRP A 40 1.657 -6.020 -2.750 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -0.847 -6.556 -2.808 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -0.169 -1.248 -2.598 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -3.242 -5.096 -2.795 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -2.619 -0.863 -2.604 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -4.162 -2.807 -2.711 1.00 0.00 H new ATOM 597 N CYS A 41 1.768 -1.083 -0.455 1.00 0.00 N ATOM 598 CA CYS A 41 0.832 -0.306 0.337 1.00 0.00 C ATOM 599 C CYS A 41 -0.023 0.529 -0.629 1.00 0.00 C ATOM 600 O CYS A 41 0.449 0.939 -1.683 1.00 0.00 O ATOM 601 CB CYS A 41 1.621 0.633 1.252 1.00 0.00 C ATOM 602 SG CYS A 41 2.474 1.935 0.303 1.00 0.00 S ATOM 0 H CYS A 41 2.279 -0.533 -1.145 1.00 0.00 H new ATOM 0 HA CYS A 41 0.199 -0.957 0.940 1.00 0.00 H new ATOM 0 HB2 CYS A 41 0.945 1.092 1.974 1.00 0.00 H new ATOM 0 HB3 CYS A 41 2.352 0.058 1.821 1.00 0.00 H new ATOM 607 N GLY A 42 -1.280 0.787 -0.231 1.00 0.00 N ATOM 608 CA GLY A 42 -2.097 1.683 -1.041 1.00 0.00 C ATOM 609 C GLY A 42 -1.630 3.113 -0.748 1.00 0.00 C ATOM 610 O GLY A 42 -1.066 3.371 0.308 1.00 0.00 O ATOM 0 H GLY A 42 -1.728 0.407 0.603 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.986 1.452 -2.100 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -3.153 1.566 -0.798 1.00 0.00 H new ATOM 614 N THR A 43 -1.892 4.022 -1.705 1.00 0.00 N ATOM 615 CA THR A 43 -1.476 5.417 -1.504 1.00 0.00 C ATOM 616 C THR A 43 -2.686 6.345 -1.344 1.00 0.00 C ATOM 617 O THR A 43 -2.548 7.562 -1.347 1.00 0.00 O ATOM 618 CB THR A 43 -0.555 5.880 -2.654 1.00 0.00 C ATOM 619 OG1 THR A 43 -0.509 4.919 -3.689 1.00 0.00 O ATOM 620 CG2 THR A 43 0.886 6.077 -2.175 1.00 0.00 C ATOM 0 H THR A 43 -2.368 3.827 -2.586 1.00 0.00 H new ATOM 0 HA THR A 43 -0.907 5.470 -0.576 1.00 0.00 H new ATOM 0 HB THR A 43 -0.972 6.821 -3.013 1.00 0.00 H new ATOM 0 HG1 THR A 43 -1.420 4.715 -3.987 1.00 0.00 H new ATOM 0 HG21 THR A 43 1.506 6.403 -3.010 1.00 0.00 H new ATOM 0 HG22 THR A 43 0.908 6.833 -1.390 1.00 0.00 H new ATOM 0 HG23 THR A 43 1.271 5.136 -1.783 1.00 0.00 H new ATOM 628 N THR A 44 -3.859 5.711 -1.184 1.00 0.00 N ATOM 629 CA THR A 44 -5.089 6.448 -0.966 1.00 0.00 C ATOM 630 C THR A 44 -5.894 5.639 0.045 1.00 0.00 C ATOM 631 O THR A 44 -5.606 4.474 0.306 1.00 0.00 O ATOM 632 CB THR A 44 -5.869 6.625 -2.280 1.00 0.00 C ATOM 633 OG1 THR A 44 -6.291 5.345 -2.731 1.00 0.00 O ATOM 634 CG2 THR A 44 -5.018 7.320 -3.353 1.00 0.00 C ATOM 0 H THR A 44 -3.969 4.697 -1.203 1.00 0.00 H new ATOM 0 HA THR A 44 -4.886 7.452 -0.595 1.00 0.00 H new ATOM 0 HB THR A 44 -6.734 7.262 -2.097 1.00 0.00 H new ATOM 0 HG1 THR A 44 -7.034 5.449 -3.362 1.00 0.00 H new ATOM 0 HG21 THR A 44 -5.602 7.428 -4.267 1.00 0.00 H new ATOM 0 HG22 THR A 44 -4.717 8.305 -2.997 1.00 0.00 H new ATOM 0 HG23 THR A 44 -4.131 6.721 -3.558 1.00 0.00 H new ATOM 642 N GLU A 45 -6.914 6.326 0.580 1.00 0.00 N ATOM 643 CA GLU A 45 -7.782 5.724 1.582 1.00 0.00 C ATOM 644 C GLU A 45 -8.593 4.567 0.961 1.00 0.00 C ATOM 645 O GLU A 45 -8.939 3.607 1.636 1.00 0.00 O ATOM 646 CB GLU A 45 -8.652 6.765 2.345 1.00 0.00 C ATOM 647 CG GLU A 45 -8.399 8.259 2.024 1.00 0.00 C ATOM 648 CD GLU A 45 -6.932 8.704 2.195 1.00 0.00 C ATOM 649 OE1 GLU A 45 -6.440 8.725 3.320 1.00 0.00 O ATOM 650 OE2 GLU A 45 -6.297 9.009 1.183 1.00 0.00 O ATOM 0 H GLU A 45 -7.150 7.287 0.334 1.00 0.00 H new ATOM 0 HA GLU A 45 -7.150 5.294 2.359 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -9.700 6.547 2.140 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -8.499 6.617 3.414 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -8.709 8.456 0.998 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -9.030 8.870 2.670 1.00 0.00 H new ATOM 657 N ASP A 46 -8.854 4.702 -0.364 1.00 0.00 N ATOM 658 CA ASP A 46 -9.545 3.649 -1.112 1.00 0.00 C ATOM 659 C ASP A 46 -8.697 3.294 -2.351 1.00 0.00 C ATOM 660 O ASP A 46 -8.681 3.999 -3.354 1.00 0.00 O ATOM 661 CB ASP A 46 -11.008 4.026 -1.448 1.00 0.00 C ATOM 662 CG ASP A 46 -11.804 2.805 -1.960 1.00 0.00 C ATOM 663 OD1 ASP A 46 -11.348 2.171 -2.907 1.00 0.00 O ATOM 664 OD2 ASP A 46 -12.857 2.482 -1.399 1.00 0.00 O ATOM 0 H ASP A 46 -8.597 5.519 -0.918 1.00 0.00 H new ATOM 0 HA ASP A 46 -9.638 2.758 -0.492 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -11.493 4.432 -0.560 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -11.018 4.811 -2.204 1.00 0.00 H new ATOM 669 N TYR A 47 -7.970 2.168 -2.212 1.00 0.00 N ATOM 670 CA TYR A 47 -7.098 1.738 -3.310 1.00 0.00 C ATOM 671 C TYR A 47 -7.919 1.168 -4.466 1.00 0.00 C ATOM 672 O TYR A 47 -7.552 1.309 -5.626 1.00 0.00 O ATOM 673 CB TYR A 47 -6.133 0.643 -2.825 1.00 0.00 C ATOM 674 CG TYR A 47 -5.293 0.101 -3.947 1.00 0.00 C ATOM 675 CD1 TYR A 47 -4.193 0.796 -4.414 1.00 0.00 C ATOM 676 CD2 TYR A 47 -5.612 -1.113 -4.539 1.00 0.00 C ATOM 677 CE1 TYR A 47 -3.407 0.260 -5.417 1.00 0.00 C ATOM 678 CE2 TYR A 47 -4.808 -1.665 -5.521 1.00 0.00 C ATOM 679 CZ TYR A 47 -3.690 -0.977 -5.962 1.00 0.00 C ATOM 680 OH TYR A 47 -2.851 -1.491 -6.929 1.00 0.00 O ATOM 0 H TYR A 47 -7.969 1.567 -1.388 1.00 0.00 H new ATOM 0 HA TYR A 47 -6.541 2.612 -3.649 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -5.484 1.048 -2.049 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -6.703 -0.169 -2.373 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -3.947 1.760 -3.994 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -6.504 -1.637 -4.228 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -2.557 0.818 -5.781 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -5.052 -2.629 -5.942 1.00 0.00 H new ATOM 0 HH TYR A 47 -3.180 -2.369 -7.215 1.00 0.00 H new ATOM 690 N ASP A 48 -9.025 0.496 -4.097 1.00 0.00 N ATOM 691 CA ASP A 48 -9.835 -0.143 -5.130 1.00 0.00 C ATOM 692 C ASP A 48 -10.286 0.883 -6.189 1.00 0.00 C ATOM 693 O ASP A 48 -10.380 0.586 -7.373 1.00 0.00 O ATOM 694 CB ASP A 48 -11.076 -0.849 -4.538 1.00 0.00 C ATOM 695 CG ASP A 48 -10.712 -2.081 -3.693 1.00 0.00 C ATOM 696 OD1 ASP A 48 -9.975 -2.939 -4.174 1.00 0.00 O ATOM 697 OD2 ASP A 48 -11.172 -2.192 -2.560 1.00 0.00 O ATOM 0 H ASP A 48 -9.360 0.388 -3.140 1.00 0.00 H new ATOM 0 HA ASP A 48 -9.204 -0.897 -5.601 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -11.631 -0.142 -3.922 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -11.738 -1.153 -5.349 1.00 0.00 H new ATOM 702 N ARG A 49 -10.551 2.100 -5.682 1.00 0.00 N ATOM 703 CA ARG A 49 -10.957 3.223 -6.516 1.00 0.00 C ATOM 704 C ARG A 49 -9.788 3.760 -7.389 1.00 0.00 C ATOM 705 O ARG A 49 -9.908 3.840 -8.607 1.00 0.00 O ATOM 706 CB ARG A 49 -11.570 4.296 -5.580 1.00 0.00 C ATOM 707 CG ARG A 49 -11.988 5.639 -6.209 1.00 0.00 C ATOM 708 CD ARG A 49 -11.999 6.802 -5.141 1.00 0.00 C ATOM 709 NE ARG A 49 -10.655 7.363 -5.022 1.00 0.00 N ATOM 710 CZ ARG A 49 -10.380 8.534 -4.407 1.00 0.00 C ATOM 711 NH1 ARG A 49 -11.350 9.251 -3.846 1.00 0.00 N ATOM 712 NH2 ARG A 49 -9.124 8.958 -4.370 1.00 0.00 N ATOM 0 H ARG A 49 -10.488 2.322 -4.689 1.00 0.00 H new ATOM 0 HA ARG A 49 -11.707 2.908 -7.242 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -12.448 3.862 -5.101 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -10.848 4.505 -4.791 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -11.302 5.892 -7.017 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -12.979 5.541 -6.652 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -12.704 7.578 -5.439 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -12.333 6.421 -4.176 1.00 0.00 H new ATOM 0 HE ARG A 49 -9.879 6.840 -5.427 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -12.314 8.918 -3.877 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -11.130 10.134 -3.384 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -8.385 8.402 -4.801 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -8.897 9.840 -3.910 1.00 0.00 H new ATOM 726 N ASP A 50 -8.685 4.153 -6.717 1.00 0.00 N ATOM 727 CA ASP A 50 -7.558 4.804 -7.412 1.00 0.00 C ATOM 728 C ASP A 50 -6.636 3.887 -8.248 1.00 0.00 C ATOM 729 O ASP A 50 -6.205 4.254 -9.333 1.00 0.00 O ATOM 730 CB ASP A 50 -6.678 5.536 -6.389 1.00 0.00 C ATOM 731 CG ASP A 50 -7.490 6.646 -5.717 1.00 0.00 C ATOM 732 OD1 ASP A 50 -7.662 7.712 -6.297 1.00 0.00 O ATOM 733 OD2 ASP A 50 -7.967 6.465 -4.605 1.00 0.00 O ATOM 0 H ASP A 50 -8.553 4.033 -5.713 1.00 0.00 H new ATOM 0 HA ASP A 50 -8.043 5.470 -8.125 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -6.313 4.834 -5.640 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -5.803 5.959 -6.883 1.00 0.00 H new ATOM 738 N LYS A 51 -6.298 2.722 -7.665 1.00 0.00 N ATOM 739 CA LYS A 51 -5.383 1.740 -8.248 1.00 0.00 C ATOM 740 C LYS A 51 -3.940 2.252 -8.332 1.00 0.00 C ATOM 741 O LYS A 51 -3.202 1.913 -9.252 1.00 0.00 O ATOM 742 CB LYS A 51 -5.807 1.216 -9.638 1.00 0.00 C ATOM 743 CG LYS A 51 -7.194 0.539 -9.645 1.00 0.00 C ATOM 744 CD LYS A 51 -8.362 1.505 -9.421 1.00 0.00 C ATOM 745 CE LYS A 51 -9.703 1.029 -9.986 1.00 0.00 C ATOM 746 NZ LYS A 51 -9.802 1.268 -11.421 1.00 0.00 N ATOM 0 H LYS A 51 -6.664 2.437 -6.757 1.00 0.00 H new ATOM 0 HA LYS A 51 -5.435 0.904 -7.550 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -5.814 2.047 -10.344 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -5.062 0.503 -9.991 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -7.334 0.032 -10.599 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -7.216 -0.227 -8.870 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -8.474 1.676 -8.350 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -8.113 2.465 -9.873 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -9.824 -0.036 -9.786 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -10.516 1.544 -9.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -10.724 0.932 -11.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -9.711 2.287 -11.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -9.041 0.756 -11.912 1.00 0.00 H new ATOM 760 N LYS A 52 -3.563 3.067 -7.329 1.00 0.00 N ATOM 761 CA LYS A 52 -2.191 3.563 -7.297 1.00 0.00 C ATOM 762 C LYS A 52 -1.601 3.248 -5.911 1.00 0.00 C ATOM 763 O LYS A 52 -2.277 3.380 -4.892 1.00 0.00 O ATOM 764 CB LYS A 52 -2.170 5.043 -7.719 1.00 0.00 C ATOM 765 CG LYS A 52 -2.866 5.292 -9.082 1.00 0.00 C ATOM 766 CD LYS A 52 -2.255 6.470 -9.860 1.00 0.00 C ATOM 767 CE LYS A 52 -2.473 7.880 -9.259 1.00 0.00 C ATOM 768 NZ LYS A 52 -1.977 8.886 -10.188 1.00 0.00 N ATOM 0 H LYS A 52 -4.164 3.380 -6.566 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.543 3.065 -8.018 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -2.661 5.641 -6.951 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -1.136 5.384 -7.777 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -2.799 4.389 -9.689 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -3.925 5.485 -8.913 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -1.182 6.300 -9.951 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -2.665 6.462 -10.870 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -3.533 8.043 -9.062 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -1.954 7.964 -8.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -1.902 9.802 -9.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -1.040 8.603 -10.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -2.635 8.973 -10.989 1.00 0.00 H new ATOM 782 N TYR A 53 -0.358 2.716 -5.954 1.00 0.00 N ATOM 783 CA TYR A 53 0.293 2.137 -4.788 1.00 0.00 C ATOM 784 C TYR A 53 1.759 2.567 -4.668 1.00 0.00 C ATOM 785 O TYR A 53 2.339 3.218 -5.527 1.00 0.00 O ATOM 786 CB TYR A 53 0.222 0.594 -4.894 1.00 0.00 C ATOM 787 CG TYR A 53 1.094 0.005 -5.976 1.00 0.00 C ATOM 788 CD1 TYR A 53 0.750 0.087 -7.320 1.00 0.00 C ATOM 789 CD2 TYR A 53 2.263 -0.656 -5.633 1.00 0.00 C ATOM 790 CE1 TYR A 53 1.542 -0.502 -8.299 1.00 0.00 C ATOM 791 CE2 TYR A 53 3.042 -1.262 -6.598 1.00 0.00 C ATOM 792 CZ TYR A 53 2.684 -1.203 -7.932 1.00 0.00 C ATOM 793 OH TYR A 53 3.464 -1.870 -8.860 1.00 0.00 O ATOM 0 H TYR A 53 0.209 2.683 -6.802 1.00 0.00 H new ATOM 0 HA TYR A 53 -0.228 2.494 -3.899 1.00 0.00 H new ATOM 0 HB2 TYR A 53 0.511 0.162 -3.936 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -0.812 0.301 -5.077 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -0.146 0.616 -7.608 1.00 0.00 H new ATOM 0 HD2 TYR A 53 2.568 -0.697 -4.598 1.00 0.00 H new ATOM 0 HE1 TYR A 53 1.271 -0.415 -9.341 1.00 0.00 H new ATOM 0 HE2 TYR A 53 3.940 -1.787 -6.308 1.00 0.00 H new ATOM 0 HH TYR A 53 4.392 -1.899 -8.547 1.00 0.00 H new ATOM 803 N GLY A 54 2.301 2.088 -3.539 1.00 0.00 N ATOM 804 CA GLY A 54 3.695 2.263 -3.145 1.00 0.00 C ATOM 805 C GLY A 54 4.254 0.900 -2.689 1.00 0.00 C ATOM 806 O GLY A 54 3.501 -0.061 -2.573 1.00 0.00 O ATOM 0 H GLY A 54 1.761 1.553 -2.859 1.00 0.00 H new ATOM 0 HA2 GLY A 54 4.278 2.650 -3.980 1.00 0.00 H new ATOM 0 HA3 GLY A 54 3.771 2.992 -2.338 1.00 0.00 H new ATOM 810 N PHE A 55 5.586 0.846 -2.432 1.00 0.00 N ATOM 811 CA PHE A 55 6.188 -0.404 -1.951 1.00 0.00 C ATOM 812 C PHE A 55 6.379 -0.217 -0.443 1.00 0.00 C ATOM 813 O PHE A 55 6.400 0.893 0.071 1.00 0.00 O ATOM 814 CB PHE A 55 7.533 -0.785 -2.618 1.00 0.00 C ATOM 815 CG PHE A 55 7.362 -1.461 -3.960 1.00 0.00 C ATOM 816 CD1 PHE A 55 6.667 -0.847 -4.993 1.00 0.00 C ATOM 817 CD2 PHE A 55 7.901 -2.726 -4.194 1.00 0.00 C ATOM 818 CE1 PHE A 55 6.516 -1.466 -6.226 1.00 0.00 C ATOM 819 CE2 PHE A 55 7.746 -3.353 -5.424 1.00 0.00 C ATOM 820 CZ PHE A 55 7.055 -2.722 -6.445 1.00 0.00 C ATOM 0 H PHE A 55 6.234 1.625 -2.547 1.00 0.00 H new ATOM 0 HA PHE A 55 5.525 -1.230 -2.208 1.00 0.00 H new ATOM 0 HB2 PHE A 55 8.135 0.114 -2.746 1.00 0.00 H new ATOM 0 HB3 PHE A 55 8.086 -1.448 -1.953 1.00 0.00 H new ATOM 0 HD1 PHE A 55 6.236 0.130 -4.834 1.00 0.00 H new ATOM 0 HD2 PHE A 55 8.447 -3.225 -3.407 1.00 0.00 H new ATOM 0 HE1 PHE A 55 5.976 -0.966 -7.017 1.00 0.00 H new ATOM 0 HE2 PHE A 55 8.166 -4.335 -5.584 1.00 0.00 H new ATOM 0 HZ PHE A 55 6.938 -3.206 -7.404 1.00 0.00 H new ATOM 830 N CYS A 56 6.451 -1.381 0.211 1.00 0.00 N ATOM 831 CA CYS A 56 6.540 -1.432 1.683 1.00 0.00 C ATOM 832 C CYS A 56 7.850 -2.176 1.988 1.00 0.00 C ATOM 833 O CYS A 56 8.440 -2.776 1.097 1.00 0.00 O ATOM 834 CB CYS A 56 5.305 -2.212 2.214 1.00 0.00 C ATOM 835 SG CYS A 56 4.236 -1.306 3.364 1.00 0.00 S ATOM 0 H CYS A 56 6.450 -2.293 -0.245 1.00 0.00 H new ATOM 0 HA CYS A 56 6.543 -0.450 2.155 1.00 0.00 H new ATOM 0 HB2 CYS A 56 4.704 -2.528 1.361 1.00 0.00 H new ATOM 0 HB3 CYS A 56 5.656 -3.117 2.710 1.00 0.00 H new ATOM 840 N PRO A 57 8.303 -2.143 3.271 1.00 0.00 N ATOM 841 CA PRO A 57 9.459 -2.938 3.666 1.00 0.00 C ATOM 842 C PRO A 57 9.084 -4.430 3.601 1.00 0.00 C ATOM 843 O PRO A 57 8.071 -4.860 4.139 1.00 0.00 O ATOM 844 CB PRO A 57 9.765 -2.485 5.094 1.00 0.00 C ATOM 845 CG PRO A 57 8.443 -1.925 5.621 1.00 0.00 C ATOM 846 CD PRO A 57 7.701 -1.407 4.384 1.00 0.00 C ATOM 0 HA PRO A 57 10.328 -2.806 3.021 1.00 0.00 H new ATOM 0 HB2 PRO A 57 10.114 -3.317 5.706 1.00 0.00 H new ATOM 0 HB3 PRO A 57 10.549 -1.728 5.109 1.00 0.00 H new ATOM 0 HG2 PRO A 57 7.865 -2.695 6.132 1.00 0.00 H new ATOM 0 HG3 PRO A 57 8.614 -1.125 6.341 1.00 0.00 H new ATOM 0 HD2 PRO A 57 6.630 -1.596 4.454 1.00 0.00 H new ATOM 0 HD3 PRO A 57 7.828 -0.331 4.265 1.00 0.00 H new ATOM 854 N GLU A 58 9.946 -5.176 2.885 1.00 0.00 N ATOM 855 CA GLU A 58 9.694 -6.598 2.661 1.00 0.00 C ATOM 856 C GLU A 58 9.536 -7.378 3.984 1.00 0.00 C ATOM 857 O GLU A 58 8.637 -8.188 4.161 1.00 0.00 O ATOM 858 CB GLU A 58 10.828 -7.194 1.800 1.00 0.00 C ATOM 859 CG GLU A 58 10.400 -8.457 1.032 1.00 0.00 C ATOM 860 CD GLU A 58 9.592 -8.132 -0.240 1.00 0.00 C ATOM 861 OE1 GLU A 58 8.902 -7.111 -0.278 1.00 0.00 O ATOM 862 OE2 GLU A 58 9.675 -8.904 -1.193 1.00 0.00 O ATOM 0 H GLU A 58 10.804 -4.821 2.463 1.00 0.00 H new ATOM 0 HA GLU A 58 8.748 -6.694 2.129 1.00 0.00 H new ATOM 0 HB2 GLU A 58 11.171 -6.442 1.089 1.00 0.00 H new ATOM 0 HB3 GLU A 58 11.675 -7.435 2.442 1.00 0.00 H new ATOM 0 HG2 GLU A 58 11.286 -9.029 0.759 1.00 0.00 H new ATOM 0 HG3 GLU A 58 9.801 -9.090 1.687 1.00 0.00 H new ATOM 869 N THR A 59 10.478 -7.073 4.896 1.00 0.00 N ATOM 870 CA THR A 59 10.492 -7.721 6.200 1.00 0.00 C ATOM 871 C THR A 59 9.519 -7.018 7.169 1.00 0.00 C ATOM 872 O THR A 59 8.530 -7.588 7.610 1.00 0.00 O ATOM 873 CB THR A 59 11.951 -7.722 6.701 1.00 0.00 C ATOM 874 OG1 THR A 59 12.823 -7.927 5.605 1.00 0.00 O ATOM 875 CG2 THR A 59 12.202 -8.750 7.814 1.00 0.00 C ATOM 0 H THR A 59 11.223 -6.392 4.749 1.00 0.00 H new ATOM 0 HA THR A 59 10.142 -8.751 6.134 1.00 0.00 H new ATOM 0 HB THR A 59 12.150 -6.748 7.149 1.00 0.00 H new ATOM 0 HG1 THR A 59 13.751 -7.926 5.921 1.00 0.00 H new ATOM 0 HG21 THR A 59 13.246 -8.703 8.124 1.00 0.00 H new ATOM 0 HG22 THR A 59 11.560 -8.528 8.666 1.00 0.00 H new ATOM 0 HG23 THR A 59 11.979 -9.750 7.443 1.00 0.00 H new ATOM 883 N ALA A 60 9.886 -5.759 7.469 1.00 0.00 N ATOM 884 CA ALA A 60 9.155 -4.891 8.376 1.00 0.00 C ATOM 885 C ALA A 60 9.891 -3.541 8.399 1.00 0.00 C ATOM 886 O ALA A 60 11.077 -3.517 8.060 1.00 0.00 O ATOM 887 CB ALA A 60 9.112 -5.474 9.797 1.00 0.00 C ATOM 888 OXT ALA A 60 9.275 -2.535 8.742 1.00 0.00 O ATOM 0 H ALA A 60 10.717 -5.319 7.074 1.00 0.00 H new ATOM 0 HA ALA A 60 8.125 -4.784 8.035 1.00 0.00 H new ATOM 0 HB1 ALA A 60 8.558 -4.800 10.450 1.00 0.00 H new ATOM 0 HB2 ALA A 60 8.619 -6.446 9.777 1.00 0.00 H new ATOM 0 HB3 ALA A 60 10.128 -5.590 10.174 1.00 0.00 H new TER 894 ALA A 60