USER MOD reduce.3.24.130724 H: found=0, std=0, add=419, rem=0, adj=19 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= -0.549 K(o=-0.67,f=0.5) USER MOD Set 1.2: A 26 TYR OH : rot 180:sc= -0.119 USER MOD Single : A 1 THR N :NH3+ -137:sc= 0.63 (180deg=0.17) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0.494 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.0369 USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= -0.745 K(o=-0.75,f=-12!) USER MOD Single : A 13 GLN : amide:sc= -0.199 K(o=-0.2,f=-1.1) USER MOD Single : A 16 LYS NZ :NH3+ -122:sc= 0.235 (180deg=-3.82!) USER MOD Single : A 24 THR OG1 : rot 71:sc= 0.505 USER MOD Single : A 25 SER OG : rot 150:sc= 1.03 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 72:sc= 0.29 USER MOD Single : A 31 THR OG1 : rot 52:sc= 0.836 USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.0121 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 32:sc= 0.288 USER MOD Single : A 44 THR OG1 : rot 178:sc= 0.532 USER MOD Single : A 47 TYR OH : rot 21:sc= 0.00099 USER MOD Single : A 51 LYS NZ :NH3+ 156:sc= 1.99 (180deg=0.436!) USER MOD Single : A 52 LYS NZ :NH3+ 153:sc= 1.39 (180deg=0.722) USER MOD Single : A 53 TYR OH : rot 167:sc= 0.934 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0.00393 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 6.819 7.326 9.916 1.00 0.00 N ATOM 2 CA THR A 1 6.351 6.476 8.837 1.00 0.00 C ATOM 3 C THR A 1 7.532 6.102 7.927 1.00 0.00 C ATOM 4 O THR A 1 8.053 5.003 8.013 1.00 0.00 O ATOM 5 CB THR A 1 5.286 7.304 8.105 1.00 0.00 C ATOM 6 OG1 THR A 1 5.803 8.632 8.130 1.00 0.00 O ATOM 7 CG2 THR A 1 3.925 7.229 8.814 1.00 0.00 C ATOM 0 H1 THR A 1 6.382 7.024 10.810 1.00 0.00 H new ATOM 0 H2 THR A 1 7.853 7.251 9.994 1.00 0.00 H new ATOM 0 H3 THR A 1 6.558 8.313 9.719 1.00 0.00 H new ATOM 0 HA THR A 1 5.927 5.534 9.185 1.00 0.00 H new ATOM 0 HB THR A 1 5.105 6.941 7.093 1.00 0.00 H new ATOM 0 HG1 THR A 1 5.178 9.235 7.676 1.00 0.00 H new ATOM 0 HG21 THR A 1 3.196 7.827 8.267 1.00 0.00 H new ATOM 0 HG22 THR A 1 3.590 6.192 8.850 1.00 0.00 H new ATOM 0 HG23 THR A 1 4.022 7.614 9.829 1.00 0.00 H new ATOM 17 N ALA A 2 7.921 7.081 7.079 1.00 0.00 N ATOM 18 CA ALA A 2 9.030 6.896 6.140 1.00 0.00 C ATOM 19 C ALA A 2 8.704 5.788 5.116 1.00 0.00 C ATOM 20 O ALA A 2 9.459 4.849 4.900 1.00 0.00 O ATOM 21 CB ALA A 2 10.355 6.636 6.876 1.00 0.00 C ATOM 0 H ALA A 2 7.480 8.000 7.032 1.00 0.00 H new ATOM 0 HA ALA A 2 9.160 7.824 5.583 1.00 0.00 H new ATOM 0 HB1 ALA A 2 11.156 6.503 6.148 1.00 0.00 H new ATOM 0 HB2 ALA A 2 10.586 7.485 7.519 1.00 0.00 H new ATOM 0 HB3 ALA A 2 10.263 5.735 7.483 1.00 0.00 H new ATOM 27 N LEU A 3 7.515 5.978 4.511 1.00 0.00 N ATOM 28 CA LEU A 3 7.006 5.043 3.512 1.00 0.00 C ATOM 29 C LEU A 3 7.018 5.752 2.146 1.00 0.00 C ATOM 30 O LEU A 3 6.034 6.329 1.691 1.00 0.00 O ATOM 31 CB LEU A 3 5.579 4.551 3.835 1.00 0.00 C ATOM 32 CG LEU A 3 5.483 3.309 4.741 1.00 0.00 C ATOM 33 CD1 LEU A 3 5.960 2.027 4.051 1.00 0.00 C ATOM 34 CD2 LEU A 3 6.150 3.491 6.106 1.00 0.00 C ATOM 0 H LEU A 3 6.899 6.768 4.701 1.00 0.00 H new ATOM 0 HA LEU A 3 7.646 4.161 3.505 1.00 0.00 H new ATOM 0 HB2 LEU A 3 5.034 5.366 4.310 1.00 0.00 H new ATOM 0 HB3 LEU A 3 5.070 4.332 2.896 1.00 0.00 H new ATOM 0 HG LEU A 3 4.417 3.192 4.934 1.00 0.00 H new ATOM 0 HD11 LEU A 3 5.868 1.187 4.740 1.00 0.00 H new ATOM 0 HD12 LEU A 3 5.349 1.840 3.168 1.00 0.00 H new ATOM 0 HD13 LEU A 3 7.003 2.140 3.754 1.00 0.00 H new ATOM 0 HD21 LEU A 3 6.042 2.576 6.689 1.00 0.00 H new ATOM 0 HD22 LEU A 3 7.209 3.710 5.967 1.00 0.00 H new ATOM 0 HD23 LEU A 3 5.675 4.317 6.636 1.00 0.00 H new ATOM 46 N PHE A 4 8.216 5.636 1.548 1.00 0.00 N ATOM 47 CA PHE A 4 8.513 6.162 0.218 1.00 0.00 C ATOM 48 C PHE A 4 7.818 5.229 -0.801 1.00 0.00 C ATOM 49 O PHE A 4 7.393 4.144 -0.433 1.00 0.00 O ATOM 50 CB PHE A 4 10.060 6.178 0.073 1.00 0.00 C ATOM 51 CG PHE A 4 10.709 6.829 1.267 1.00 0.00 C ATOM 52 CD1 PHE A 4 10.671 8.212 1.422 1.00 0.00 C ATOM 53 CD2 PHE A 4 11.343 6.059 2.239 1.00 0.00 C ATOM 54 CE1 PHE A 4 11.251 8.815 2.531 1.00 0.00 C ATOM 55 CE2 PHE A 4 11.922 6.659 3.349 1.00 0.00 C ATOM 56 CZ PHE A 4 11.876 8.038 3.496 1.00 0.00 C ATOM 0 H PHE A 4 9.010 5.168 1.985 1.00 0.00 H new ATOM 0 HA PHE A 4 8.148 7.175 0.050 1.00 0.00 H new ATOM 0 HB2 PHE A 4 10.429 5.158 -0.035 1.00 0.00 H new ATOM 0 HB3 PHE A 4 10.338 6.715 -0.834 1.00 0.00 H new ATOM 0 HD1 PHE A 4 10.186 8.821 0.674 1.00 0.00 H new ATOM 0 HD2 PHE A 4 11.385 4.985 2.128 1.00 0.00 H new ATOM 0 HE1 PHE A 4 11.215 9.889 2.642 1.00 0.00 H new ATOM 0 HE2 PHE A 4 12.408 6.052 4.098 1.00 0.00 H new ATOM 0 HZ PHE A 4 12.326 8.506 4.360 1.00 0.00 H new ATOM 66 N THR A 5 7.737 5.645 -2.084 1.00 0.00 N ATOM 67 CA THR A 5 7.038 4.805 -3.054 1.00 0.00 C ATOM 68 C THR A 5 7.957 3.738 -3.672 1.00 0.00 C ATOM 69 O THR A 5 7.545 2.641 -4.031 1.00 0.00 O ATOM 70 CB THR A 5 6.571 5.753 -4.156 1.00 0.00 C ATOM 71 OG1 THR A 5 7.657 6.524 -4.652 1.00 0.00 O ATOM 72 CG2 THR A 5 5.575 6.784 -3.622 1.00 0.00 C ATOM 0 H THR A 5 8.128 6.513 -2.450 1.00 0.00 H new ATOM 0 HA THR A 5 6.221 4.273 -2.566 1.00 0.00 H new ATOM 0 HB THR A 5 6.126 5.120 -4.923 1.00 0.00 H new ATOM 0 HG1 THR A 5 7.337 7.123 -5.358 1.00 0.00 H new ATOM 0 HG21 THR A 5 5.263 7.443 -4.433 1.00 0.00 H new ATOM 0 HG22 THR A 5 4.703 6.271 -3.216 1.00 0.00 H new ATOM 0 HG23 THR A 5 6.048 7.374 -2.837 1.00 0.00 H new ATOM 80 N MET A 6 9.225 4.174 -3.723 1.00 0.00 N ATOM 81 CA MET A 6 10.411 3.422 -4.133 1.00 0.00 C ATOM 82 C MET A 6 10.119 2.188 -5.023 1.00 0.00 C ATOM 83 O MET A 6 10.076 1.057 -4.560 1.00 0.00 O ATOM 84 CB MET A 6 11.200 3.028 -2.863 1.00 0.00 C ATOM 85 CG MET A 6 10.314 2.499 -1.721 1.00 0.00 C ATOM 86 SD MET A 6 11.264 1.776 -0.374 1.00 0.00 S ATOM 87 CE MET A 6 9.882 1.114 0.578 1.00 0.00 C ATOM 0 H MET A 6 9.460 5.131 -3.459 1.00 0.00 H new ATOM 0 HA MET A 6 11.005 4.075 -4.773 1.00 0.00 H new ATOM 0 HB2 MET A 6 11.934 2.265 -3.124 1.00 0.00 H new ATOM 0 HB3 MET A 6 11.755 3.896 -2.507 1.00 0.00 H new ATOM 0 HG2 MET A 6 9.705 3.315 -1.332 1.00 0.00 H new ATOM 0 HG3 MET A 6 9.628 1.751 -2.117 1.00 0.00 H new ATOM 0 HE1 MET A 6 10.260 0.616 1.471 1.00 0.00 H new ATOM 0 HE2 MET A 6 9.218 1.928 0.870 1.00 0.00 H new ATOM 0 HE3 MET A 6 9.331 0.397 -0.031 1.00 0.00 H new ATOM 97 N GLY A 7 9.952 2.481 -6.329 1.00 0.00 N ATOM 98 CA GLY A 7 9.725 1.430 -7.324 1.00 0.00 C ATOM 99 C GLY A 7 8.261 1.366 -7.774 1.00 0.00 C ATOM 100 O GLY A 7 7.966 1.163 -8.944 1.00 0.00 O ATOM 0 H GLY A 7 9.971 3.427 -6.709 1.00 0.00 H new ATOM 0 HA2 GLY A 7 10.362 1.608 -8.190 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.017 0.467 -6.906 1.00 0.00 H new ATOM 104 N GLY A 8 7.373 1.555 -6.780 1.00 0.00 N ATOM 105 CA GLY A 8 5.935 1.556 -7.038 1.00 0.00 C ATOM 106 C GLY A 8 5.518 2.734 -7.952 1.00 0.00 C ATOM 107 O GLY A 8 6.365 3.445 -8.478 1.00 0.00 O ATOM 0 H GLY A 8 7.629 1.707 -5.804 1.00 0.00 H new ATOM 0 HA2 GLY A 8 5.648 0.614 -7.505 1.00 0.00 H new ATOM 0 HA3 GLY A 8 5.396 1.620 -6.093 1.00 0.00 H new ATOM 111 N ASN A 9 4.187 2.888 -8.160 1.00 0.00 N ATOM 112 CA ASN A 9 3.706 3.860 -9.158 1.00 0.00 C ATOM 113 C ASN A 9 2.958 5.052 -8.532 1.00 0.00 C ATOM 114 O ASN A 9 2.309 5.829 -9.224 1.00 0.00 O ATOM 115 CB ASN A 9 2.836 3.125 -10.210 1.00 0.00 C ATOM 116 CG ASN A 9 1.457 2.680 -9.685 1.00 0.00 C ATOM 117 OD1 ASN A 9 1.046 3.044 -8.598 1.00 0.00 O ATOM 118 ND2 ASN A 9 0.699 1.984 -10.537 1.00 0.00 N ATOM 0 H ASN A 9 3.457 2.372 -7.669 1.00 0.00 H new ATOM 0 HA ASN A 9 4.577 4.295 -9.648 1.00 0.00 H new ATOM 0 HB2 ASN A 9 2.692 3.781 -11.069 1.00 0.00 H new ATOM 0 HB3 ASN A 9 3.378 2.249 -10.566 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -0.259 1.740 -10.285 1.00 0.00 H new ATOM 0 HD22 ASN A 9 1.078 1.696 -11.439 1.00 0.00 H new ATOM 125 N ALA A 10 3.097 5.175 -7.204 1.00 0.00 N ATOM 126 CA ALA A 10 2.430 6.209 -6.417 1.00 0.00 C ATOM 127 C ALA A 10 2.878 7.663 -6.708 1.00 0.00 C ATOM 128 O ALA A 10 2.396 8.585 -6.065 1.00 0.00 O ATOM 129 CB ALA A 10 2.627 5.869 -4.937 1.00 0.00 C ATOM 0 H ALA A 10 3.681 4.552 -6.646 1.00 0.00 H new ATOM 0 HA ALA A 10 1.379 6.199 -6.705 1.00 0.00 H new ATOM 0 HB1 ALA A 10 2.139 6.625 -4.322 1.00 0.00 H new ATOM 0 HB2 ALA A 10 2.190 4.893 -4.727 1.00 0.00 H new ATOM 0 HB3 ALA A 10 3.692 5.847 -4.707 1.00 0.00 H new ATOM 135 N GLU A 11 3.798 7.850 -7.676 1.00 0.00 N ATOM 136 CA GLU A 11 4.229 9.196 -8.069 1.00 0.00 C ATOM 137 C GLU A 11 4.769 10.033 -6.883 1.00 0.00 C ATOM 138 O GLU A 11 4.563 11.235 -6.790 1.00 0.00 O ATOM 139 CB GLU A 11 3.082 9.921 -8.800 1.00 0.00 C ATOM 140 CG GLU A 11 2.638 9.201 -10.088 1.00 0.00 C ATOM 141 CD GLU A 11 1.332 9.776 -10.664 1.00 0.00 C ATOM 142 OE1 GLU A 11 1.095 10.973 -10.540 1.00 0.00 O ATOM 143 OE2 GLU A 11 0.551 9.004 -11.222 1.00 0.00 O ATOM 0 H GLU A 11 4.249 7.093 -8.191 1.00 0.00 H new ATOM 0 HA GLU A 11 5.071 9.082 -8.752 1.00 0.00 H new ATOM 0 HB2 GLU A 11 2.229 10.010 -8.128 1.00 0.00 H new ATOM 0 HB3 GLU A 11 3.399 10.934 -9.048 1.00 0.00 H new ATOM 0 HG2 GLU A 11 3.427 9.281 -10.836 1.00 0.00 H new ATOM 0 HG3 GLU A 11 2.503 8.140 -9.879 1.00 0.00 H new ATOM 150 N GLY A 12 5.477 9.315 -5.990 1.00 0.00 N ATOM 151 CA GLY A 12 6.083 9.963 -4.817 1.00 0.00 C ATOM 152 C GLY A 12 5.096 10.118 -3.641 1.00 0.00 C ATOM 153 O GLY A 12 5.496 10.513 -2.553 1.00 0.00 O ATOM 0 H GLY A 12 5.640 8.310 -6.057 1.00 0.00 H new ATOM 0 HA2 GLY A 12 6.943 9.379 -4.489 1.00 0.00 H new ATOM 0 HA3 GLY A 12 6.456 10.946 -5.104 1.00 0.00 H new ATOM 157 N GLN A 13 3.806 9.796 -3.881 1.00 0.00 N ATOM 158 CA GLN A 13 2.833 9.912 -2.794 1.00 0.00 C ATOM 159 C GLN A 13 3.130 8.842 -1.713 1.00 0.00 C ATOM 160 O GLN A 13 3.233 7.664 -2.022 1.00 0.00 O ATOM 161 CB GLN A 13 1.390 9.735 -3.306 1.00 0.00 C ATOM 162 CG GLN A 13 0.891 10.863 -4.233 1.00 0.00 C ATOM 163 CD GLN A 13 0.673 12.166 -3.449 1.00 0.00 C ATOM 164 OE1 GLN A 13 1.606 12.842 -3.045 1.00 0.00 O ATOM 165 NE2 GLN A 13 -0.613 12.474 -3.244 1.00 0.00 N ATOM 0 H GLN A 13 3.435 9.470 -4.774 1.00 0.00 H new ATOM 0 HA GLN A 13 2.923 10.911 -2.368 1.00 0.00 H new ATOM 0 HB2 GLN A 13 1.322 8.788 -3.841 1.00 0.00 H new ATOM 0 HB3 GLN A 13 0.721 9.665 -2.448 1.00 0.00 H new ATOM 0 HG2 GLN A 13 1.616 11.031 -5.030 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -0.042 10.561 -4.709 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -1.347 11.867 -3.608 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -0.859 13.316 -2.724 1.00 0.00 H new ATOM 174 N PRO A 14 3.256 9.268 -0.428 1.00 0.00 N ATOM 175 CA PRO A 14 3.589 8.343 0.651 1.00 0.00 C ATOM 176 C PRO A 14 2.427 7.382 0.965 1.00 0.00 C ATOM 177 O PRO A 14 1.258 7.782 0.978 1.00 0.00 O ATOM 178 CB PRO A 14 3.897 9.260 1.842 1.00 0.00 C ATOM 179 CG PRO A 14 3.128 10.557 1.558 1.00 0.00 C ATOM 180 CD PRO A 14 3.086 10.646 0.030 1.00 0.00 C ATOM 0 HA PRO A 14 4.425 7.693 0.393 1.00 0.00 H new ATOM 0 HB2 PRO A 14 3.575 8.809 2.781 1.00 0.00 H new ATOM 0 HB3 PRO A 14 4.967 9.447 1.929 1.00 0.00 H new ATOM 0 HG2 PRO A 14 2.124 10.525 1.982 1.00 0.00 H new ATOM 0 HG3 PRO A 14 3.631 11.421 1.993 1.00 0.00 H new ATOM 0 HD2 PRO A 14 2.141 11.064 -0.316 1.00 0.00 H new ATOM 0 HD3 PRO A 14 3.878 11.290 -0.351 1.00 0.00 H new ATOM 188 N CYS A 15 2.827 6.109 1.233 1.00 0.00 N ATOM 189 CA CYS A 15 1.881 5.024 1.557 1.00 0.00 C ATOM 190 C CYS A 15 0.777 5.532 2.478 1.00 0.00 C ATOM 191 O CYS A 15 0.993 6.407 3.314 1.00 0.00 O ATOM 192 CB CYS A 15 2.571 3.936 2.389 1.00 0.00 C ATOM 193 SG CYS A 15 3.677 2.840 1.467 1.00 0.00 S ATOM 0 H CYS A 15 3.804 5.816 1.229 1.00 0.00 H new ATOM 0 HA CYS A 15 1.503 4.655 0.604 1.00 0.00 H new ATOM 0 HB2 CYS A 15 3.142 4.417 3.183 1.00 0.00 H new ATOM 0 HB3 CYS A 15 1.804 3.329 2.871 1.00 0.00 H new ATOM 198 N LYS A 16 -0.432 4.990 2.263 1.00 0.00 N ATOM 199 CA LYS A 16 -1.574 5.451 3.035 1.00 0.00 C ATOM 200 C LYS A 16 -2.124 4.291 3.851 1.00 0.00 C ATOM 201 O LYS A 16 -2.244 3.170 3.381 1.00 0.00 O ATOM 202 CB LYS A 16 -2.614 6.011 2.049 1.00 0.00 C ATOM 203 CG LYS A 16 -3.624 7.027 2.659 1.00 0.00 C ATOM 204 CD LYS A 16 -3.021 8.435 2.856 1.00 0.00 C ATOM 205 CE LYS A 16 -1.730 8.655 3.669 1.00 0.00 C ATOM 206 NZ LYS A 16 -0.459 8.451 2.951 1.00 0.00 N ATOM 0 H LYS A 16 -0.632 4.257 1.583 1.00 0.00 H new ATOM 0 HA LYS A 16 -1.297 6.239 3.735 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -2.088 6.495 1.226 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -3.173 5.178 1.623 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -4.496 7.099 2.008 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -3.974 6.650 3.620 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -2.842 8.844 1.862 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.794 9.048 3.319 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -1.742 9.673 4.060 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.749 7.984 4.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 0.100 7.720 3.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -0.656 8.146 1.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 0.077 9.342 2.934 1.00 0.00 H new ATOM 220 N PHE A 17 -2.390 4.645 5.116 1.00 0.00 N ATOM 221 CA PHE A 17 -2.903 3.691 6.089 1.00 0.00 C ATOM 222 C PHE A 17 -4.035 4.413 6.843 1.00 0.00 C ATOM 223 O PHE A 17 -3.841 5.560 7.231 1.00 0.00 O ATOM 224 CB PHE A 17 -1.786 3.307 7.089 1.00 0.00 C ATOM 225 CG PHE A 17 -0.587 2.635 6.462 1.00 0.00 C ATOM 226 CD1 PHE A 17 -0.719 1.469 5.717 1.00 0.00 C ATOM 227 CD2 PHE A 17 0.691 3.155 6.645 1.00 0.00 C ATOM 228 CE1 PHE A 17 0.392 0.834 5.181 1.00 0.00 C ATOM 229 CE2 PHE A 17 1.803 2.518 6.119 1.00 0.00 C ATOM 230 CZ PHE A 17 1.662 1.349 5.388 1.00 0.00 C ATOM 0 H PHE A 17 -2.256 5.587 5.482 1.00 0.00 H new ATOM 0 HA PHE A 17 -3.255 2.781 5.603 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -1.453 4.207 7.605 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -2.205 2.643 7.845 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -1.701 1.051 5.553 1.00 0.00 H new ATOM 0 HD2 PHE A 17 0.818 4.069 7.206 1.00 0.00 H new ATOM 0 HE1 PHE A 17 0.266 -0.067 4.599 1.00 0.00 H new ATOM 0 HE2 PHE A 17 2.786 2.935 6.280 1.00 0.00 H new ATOM 0 HZ PHE A 17 2.529 0.847 4.985 1.00 0.00 H new ATOM 240 N PRO A 18 -5.206 3.748 7.053 1.00 0.00 N ATOM 241 CA PRO A 18 -5.598 2.469 6.463 1.00 0.00 C ATOM 242 C PRO A 18 -6.078 2.680 5.014 1.00 0.00 C ATOM 243 O PRO A 18 -6.875 3.571 4.753 1.00 0.00 O ATOM 244 CB PRO A 18 -6.764 2.001 7.345 1.00 0.00 C ATOM 245 CG PRO A 18 -7.392 3.299 7.866 1.00 0.00 C ATOM 246 CD PRO A 18 -6.225 4.291 7.949 1.00 0.00 C ATOM 0 HA PRO A 18 -4.780 1.749 6.425 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -7.483 1.413 6.774 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -6.415 1.372 8.164 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -8.171 3.659 7.194 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -7.856 3.151 8.841 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -6.532 5.290 7.639 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -5.850 4.375 8.969 1.00 0.00 H new ATOM 254 N PHE A 19 -5.563 1.838 4.095 1.00 0.00 N ATOM 255 CA PHE A 19 -5.986 1.930 2.698 1.00 0.00 C ATOM 256 C PHE A 19 -6.949 0.760 2.430 1.00 0.00 C ATOM 257 O PHE A 19 -6.776 -0.342 2.936 1.00 0.00 O ATOM 258 CB PHE A 19 -4.830 1.909 1.673 1.00 0.00 C ATOM 259 CG PHE A 19 -3.984 0.631 1.706 1.00 0.00 C ATOM 260 CD1 PHE A 19 -3.048 0.323 2.713 1.00 0.00 C ATOM 261 CD2 PHE A 19 -4.143 -0.285 0.658 1.00 0.00 C ATOM 262 CE1 PHE A 19 -2.254 -0.810 2.625 1.00 0.00 C ATOM 263 CE2 PHE A 19 -3.344 -1.448 0.584 1.00 0.00 C ATOM 264 CZ PHE A 19 -2.391 -1.682 1.560 1.00 0.00 C ATOM 0 H PHE A 19 -4.876 1.111 4.293 1.00 0.00 H new ATOM 0 HA PHE A 19 -6.463 2.900 2.562 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -5.244 2.031 0.672 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -4.181 2.766 1.856 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -2.948 0.979 3.565 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -4.886 -0.100 -0.103 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -1.523 -1.013 3.394 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -3.476 -2.148 -0.227 1.00 0.00 H new ATOM 0 HZ PHE A 19 -1.751 -2.549 1.490 1.00 0.00 H new ATOM 274 N ARG A 20 -7.981 1.068 1.627 1.00 0.00 N ATOM 275 CA ARG A 20 -9.008 0.086 1.296 1.00 0.00 C ATOM 276 C ARG A 20 -8.656 -0.592 -0.042 1.00 0.00 C ATOM 277 O ARG A 20 -8.386 0.078 -1.030 1.00 0.00 O ATOM 278 CB ARG A 20 -10.349 0.851 1.197 1.00 0.00 C ATOM 279 CG ARG A 20 -11.598 0.043 0.815 1.00 0.00 C ATOM 280 CD ARG A 20 -12.122 -0.906 1.930 1.00 0.00 C ATOM 281 NE ARG A 20 -11.903 -0.365 3.293 1.00 0.00 N ATOM 282 CZ ARG A 20 -12.590 0.695 3.769 1.00 0.00 C ATOM 283 NH1 ARG A 20 -13.427 1.371 2.986 1.00 0.00 N ATOM 284 NH2 ARG A 20 -12.403 1.049 5.036 1.00 0.00 N ATOM 0 H ARG A 20 -8.119 1.985 1.201 1.00 0.00 H new ATOM 0 HA ARG A 20 -9.078 -0.695 2.053 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -10.537 1.327 2.160 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -10.228 1.650 0.465 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -12.394 0.736 0.543 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -11.374 -0.549 -0.072 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -13.187 -1.082 1.780 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -11.624 -1.872 1.843 1.00 0.00 H new ATOM 0 HE ARG A 20 -11.208 -0.810 3.893 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -13.555 1.090 2.014 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -13.940 2.170 3.358 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -11.754 0.524 5.622 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -12.909 1.846 5.423 1.00 0.00 H new ATOM 298 N PHE A 21 -8.682 -1.937 -0.016 1.00 0.00 N ATOM 299 CA PHE A 21 -8.432 -2.750 -1.206 1.00 0.00 C ATOM 300 C PHE A 21 -9.335 -3.982 -1.062 1.00 0.00 C ATOM 301 O PHE A 21 -9.506 -4.505 0.028 1.00 0.00 O ATOM 302 CB PHE A 21 -6.949 -3.137 -1.261 1.00 0.00 C ATOM 303 CG PHE A 21 -6.654 -4.230 -2.257 1.00 0.00 C ATOM 304 CD1 PHE A 21 -7.007 -4.094 -3.590 1.00 0.00 C ATOM 305 CD2 PHE A 21 -6.006 -5.388 -1.858 1.00 0.00 C ATOM 306 CE1 PHE A 21 -6.657 -5.058 -4.527 1.00 0.00 C ATOM 307 CE2 PHE A 21 -5.658 -6.366 -2.782 1.00 0.00 C ATOM 308 CZ PHE A 21 -5.970 -6.195 -4.123 1.00 0.00 C ATOM 0 H PHE A 21 -8.876 -2.481 0.825 1.00 0.00 H new ATOM 0 HA PHE A 21 -8.653 -2.219 -2.132 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -6.360 -2.256 -1.514 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -6.628 -3.461 -0.271 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -7.564 -3.224 -3.906 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -5.768 -5.533 -0.814 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -6.918 -4.924 -5.566 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -5.145 -7.259 -2.456 1.00 0.00 H new ATOM 0 HZ PHE A 21 -5.680 -6.941 -4.848 1.00 0.00 H new ATOM 318 N GLN A 22 -9.933 -4.418 -2.176 1.00 0.00 N ATOM 319 CA GLN A 22 -10.867 -5.538 -2.152 1.00 0.00 C ATOM 320 C GLN A 22 -11.974 -5.310 -1.079 1.00 0.00 C ATOM 321 O GLN A 22 -12.412 -6.247 -0.419 1.00 0.00 O ATOM 322 CB GLN A 22 -10.182 -6.913 -1.884 1.00 0.00 C ATOM 323 CG GLN A 22 -9.098 -7.349 -2.899 1.00 0.00 C ATOM 324 CD GLN A 22 -8.208 -8.496 -2.375 1.00 0.00 C ATOM 325 OE1 GLN A 22 -7.994 -9.478 -3.071 1.00 0.00 O ATOM 326 NE2 GLN A 22 -7.699 -8.373 -1.142 1.00 0.00 N ATOM 0 H GLN A 22 -9.785 -4.011 -3.100 1.00 0.00 H new ATOM 0 HA GLN A 22 -11.304 -5.576 -3.150 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -9.730 -6.882 -0.893 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -10.955 -7.681 -1.858 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -9.580 -7.664 -3.824 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -8.470 -6.492 -3.143 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -7.898 -7.539 -0.589 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -7.112 -9.113 -0.756 1.00 0.00 H new ATOM 335 N GLY A 23 -12.377 -4.028 -0.891 1.00 0.00 N ATOM 336 CA GLY A 23 -13.419 -3.746 0.103 1.00 0.00 C ATOM 337 C GLY A 23 -13.008 -4.064 1.562 1.00 0.00 C ATOM 338 O GLY A 23 -13.832 -4.048 2.466 1.00 0.00 O ATOM 0 H GLY A 23 -12.013 -3.217 -1.391 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -13.694 -2.693 0.036 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -14.309 -4.324 -0.146 1.00 0.00 H new ATOM 342 N THR A 24 -11.702 -4.338 1.742 1.00 0.00 N ATOM 343 CA THR A 24 -11.103 -4.680 3.020 1.00 0.00 C ATOM 344 C THR A 24 -10.088 -3.572 3.367 1.00 0.00 C ATOM 345 O THR A 24 -9.448 -3.028 2.479 1.00 0.00 O ATOM 346 CB THR A 24 -10.425 -6.043 2.795 1.00 0.00 C ATOM 347 OG1 THR A 24 -11.342 -6.948 2.196 1.00 0.00 O ATOM 348 CG2 THR A 24 -9.927 -6.672 4.100 1.00 0.00 C ATOM 0 H THR A 24 -11.029 -4.324 0.976 1.00 0.00 H new ATOM 0 HA THR A 24 -11.811 -4.750 3.846 1.00 0.00 H new ATOM 0 HB THR A 24 -9.568 -5.861 2.146 1.00 0.00 H new ATOM 0 HG1 THR A 24 -11.503 -6.683 1.266 1.00 0.00 H new ATOM 0 HG21 THR A 24 -9.457 -7.632 3.885 1.00 0.00 H new ATOM 0 HG22 THR A 24 -9.200 -6.009 4.569 1.00 0.00 H new ATOM 0 HG23 THR A 24 -10.769 -6.823 4.775 1.00 0.00 H new ATOM 356 N SER A 25 -9.986 -3.221 4.667 1.00 0.00 N ATOM 357 CA SER A 25 -9.056 -2.162 5.062 1.00 0.00 C ATOM 358 C SER A 25 -7.733 -2.789 5.534 1.00 0.00 C ATOM 359 O SER A 25 -7.724 -3.763 6.274 1.00 0.00 O ATOM 360 CB SER A 25 -9.694 -1.305 6.161 1.00 0.00 C ATOM 361 OG SER A 25 -11.057 -1.023 5.867 1.00 0.00 O ATOM 0 H SER A 25 -10.518 -3.642 5.429 1.00 0.00 H new ATOM 0 HA SER A 25 -8.840 -1.516 4.211 1.00 0.00 H new ATOM 0 HB2 SER A 25 -9.625 -1.824 7.117 1.00 0.00 H new ATOM 0 HB3 SER A 25 -9.141 -0.372 6.265 1.00 0.00 H new ATOM 0 HG SER A 25 -11.558 -0.925 6.703 1.00 0.00 H new ATOM 367 N TYR A 26 -6.641 -2.175 5.050 1.00 0.00 N ATOM 368 CA TYR A 26 -5.278 -2.609 5.318 1.00 0.00 C ATOM 369 C TYR A 26 -4.536 -1.459 6.003 1.00 0.00 C ATOM 370 O TYR A 26 -4.560 -0.333 5.525 1.00 0.00 O ATOM 371 CB TYR A 26 -4.570 -2.870 3.982 1.00 0.00 C ATOM 372 CG TYR A 26 -5.156 -4.018 3.210 1.00 0.00 C ATOM 373 CD1 TYR A 26 -6.344 -3.876 2.505 1.00 0.00 C ATOM 374 CD2 TYR A 26 -4.504 -5.244 3.176 1.00 0.00 C ATOM 375 CE1 TYR A 26 -6.868 -4.955 1.816 1.00 0.00 C ATOM 376 CE2 TYR A 26 -5.026 -6.315 2.466 1.00 0.00 C ATOM 377 CZ TYR A 26 -6.231 -6.178 1.804 1.00 0.00 C ATOM 378 OH TYR A 26 -6.811 -7.234 1.132 1.00 0.00 O ATOM 0 H TYR A 26 -6.691 -1.350 4.452 1.00 0.00 H new ATOM 0 HA TYR A 26 -5.288 -3.506 5.937 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -4.619 -1.969 3.371 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -3.515 -3.070 4.171 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -6.857 -2.926 2.495 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -3.574 -5.365 3.712 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -7.796 -4.837 1.276 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -4.492 -7.253 2.431 1.00 0.00 H new ATOM 0 HH TYR A 26 -6.241 -8.027 1.215 1.00 0.00 H new ATOM 388 N ASP A 27 -3.876 -1.801 7.125 1.00 0.00 N ATOM 389 CA ASP A 27 -3.125 -0.811 7.899 1.00 0.00 C ATOM 390 C ASP A 27 -1.647 -1.239 7.995 1.00 0.00 C ATOM 391 O ASP A 27 -0.952 -0.977 8.967 1.00 0.00 O ATOM 392 CB ASP A 27 -3.810 -0.667 9.273 1.00 0.00 C ATOM 393 CG ASP A 27 -3.595 0.727 9.884 1.00 0.00 C ATOM 394 OD1 ASP A 27 -3.973 1.707 9.243 1.00 0.00 O ATOM 395 OD2 ASP A 27 -3.075 0.820 10.993 1.00 0.00 O ATOM 0 H ASP A 27 -3.851 -2.746 7.508 1.00 0.00 H new ATOM 0 HA ASP A 27 -3.127 0.166 7.417 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -4.878 -0.854 9.166 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -3.420 -1.424 9.953 1.00 0.00 H new ATOM 400 N SER A 28 -1.203 -1.934 6.928 1.00 0.00 N ATOM 401 CA SER A 28 0.164 -2.426 6.916 1.00 0.00 C ATOM 402 C SER A 28 0.510 -2.851 5.479 1.00 0.00 C ATOM 403 O SER A 28 -0.359 -2.994 4.624 1.00 0.00 O ATOM 404 CB SER A 28 0.256 -3.623 7.897 1.00 0.00 C ATOM 405 OG SER A 28 -0.742 -4.571 7.534 1.00 0.00 O ATOM 0 H SER A 28 -1.756 -2.154 6.100 1.00 0.00 H new ATOM 0 HA SER A 28 0.872 -1.660 7.232 1.00 0.00 H new ATOM 0 HB2 SER A 28 1.246 -4.077 7.852 1.00 0.00 H new ATOM 0 HB3 SER A 28 0.106 -3.287 8.923 1.00 0.00 H new ATOM 0 HG SER A 28 -0.700 -5.339 8.142 1.00 0.00 H new ATOM 411 N CYS A 29 1.828 -3.053 5.286 1.00 0.00 N ATOM 412 CA CYS A 29 2.378 -3.521 4.015 1.00 0.00 C ATOM 413 C CYS A 29 1.747 -4.881 3.597 1.00 0.00 C ATOM 414 O CYS A 29 1.877 -5.860 4.330 1.00 0.00 O ATOM 415 CB CYS A 29 3.870 -3.745 4.257 1.00 0.00 C ATOM 416 SG CYS A 29 4.811 -2.279 4.734 1.00 0.00 S ATOM 0 H CYS A 29 2.532 -2.895 6.007 1.00 0.00 H new ATOM 0 HA CYS A 29 2.176 -2.795 3.228 1.00 0.00 H new ATOM 0 HB2 CYS A 29 3.984 -4.498 5.037 1.00 0.00 H new ATOM 0 HB3 CYS A 29 4.309 -4.157 3.349 1.00 0.00 H new ATOM 421 N THR A 30 1.075 -4.927 2.420 1.00 0.00 N ATOM 422 CA THR A 30 0.381 -6.155 2.012 1.00 0.00 C ATOM 423 C THR A 30 1.022 -6.774 0.756 1.00 0.00 C ATOM 424 O THR A 30 1.445 -6.081 -0.152 1.00 0.00 O ATOM 425 CB THR A 30 -1.108 -5.807 1.770 1.00 0.00 C ATOM 426 OG1 THR A 30 -1.910 -6.958 1.603 1.00 0.00 O ATOM 427 CG2 THR A 30 -1.355 -5.015 0.474 1.00 0.00 C ATOM 0 H THR A 30 1.004 -4.151 1.762 1.00 0.00 H new ATOM 0 HA THR A 30 0.464 -6.903 2.800 1.00 0.00 H new ATOM 0 HB THR A 30 -1.366 -5.228 2.657 1.00 0.00 H new ATOM 0 HG1 THR A 30 -2.012 -7.414 2.465 1.00 0.00 H new ATOM 0 HG21 THR A 30 -2.420 -4.808 0.372 1.00 0.00 H new ATOM 0 HG22 THR A 30 -0.804 -4.075 0.511 1.00 0.00 H new ATOM 0 HG23 THR A 30 -1.016 -5.601 -0.380 1.00 0.00 H new ATOM 435 N THR A 31 1.043 -8.116 0.743 1.00 0.00 N ATOM 436 CA THR A 31 1.497 -8.877 -0.425 1.00 0.00 C ATOM 437 C THR A 31 0.289 -9.310 -1.275 1.00 0.00 C ATOM 438 O THR A 31 0.402 -9.675 -2.439 1.00 0.00 O ATOM 439 CB THR A 31 2.321 -10.094 0.053 1.00 0.00 C ATOM 440 OG1 THR A 31 2.090 -10.357 1.438 1.00 0.00 O ATOM 441 CG2 THR A 31 3.814 -9.825 -0.163 1.00 0.00 C ATOM 0 H THR A 31 0.750 -8.694 1.530 1.00 0.00 H new ATOM 0 HA THR A 31 2.134 -8.254 -1.053 1.00 0.00 H new ATOM 0 HB THR A 31 2.009 -10.963 -0.526 1.00 0.00 H new ATOM 0 HG1 THR A 31 1.126 -10.420 1.603 1.00 0.00 H new ATOM 0 HG21 THR A 31 4.391 -10.685 0.175 1.00 0.00 H new ATOM 0 HG22 THR A 31 4.003 -9.655 -1.223 1.00 0.00 H new ATOM 0 HG23 THR A 31 4.111 -8.943 0.405 1.00 0.00 H new ATOM 449 N GLU A 32 -0.872 -9.252 -0.612 1.00 0.00 N ATOM 450 CA GLU A 32 -2.138 -9.651 -1.164 1.00 0.00 C ATOM 451 C GLU A 32 -2.437 -8.781 -2.397 1.00 0.00 C ATOM 452 O GLU A 32 -2.596 -7.571 -2.308 1.00 0.00 O ATOM 453 CB GLU A 32 -3.174 -9.514 -0.031 1.00 0.00 C ATOM 454 CG GLU A 32 -2.860 -10.402 1.210 1.00 0.00 C ATOM 455 CD GLU A 32 -1.793 -9.853 2.196 1.00 0.00 C ATOM 456 OE1 GLU A 32 -0.597 -10.102 2.015 1.00 0.00 O ATOM 457 OE2 GLU A 32 -2.160 -9.161 3.143 1.00 0.00 O ATOM 0 H GLU A 32 -0.941 -8.915 0.348 1.00 0.00 H new ATOM 0 HA GLU A 32 -2.154 -10.683 -1.516 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -3.223 -8.471 0.282 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -4.159 -9.778 -0.416 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -3.787 -10.559 1.762 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.529 -11.379 0.857 1.00 0.00 H new ATOM 464 N GLY A 33 -2.462 -9.472 -3.552 1.00 0.00 N ATOM 465 CA GLY A 33 -2.697 -8.802 -4.827 1.00 0.00 C ATOM 466 C GLY A 33 -1.533 -9.003 -5.807 1.00 0.00 C ATOM 467 O GLY A 33 -1.693 -8.801 -7.003 1.00 0.00 O ATOM 0 H GLY A 33 -2.323 -10.480 -3.620 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -3.616 -9.183 -5.273 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -2.845 -7.736 -4.654 1.00 0.00 H new ATOM 471 N ARG A 34 -0.366 -9.408 -5.259 1.00 0.00 N ATOM 472 CA ARG A 34 0.794 -9.639 -6.146 1.00 0.00 C ATOM 473 C ARG A 34 1.252 -11.092 -5.971 1.00 0.00 C ATOM 474 O ARG A 34 0.922 -11.755 -4.996 1.00 0.00 O ATOM 475 CB ARG A 34 1.947 -8.707 -5.747 1.00 0.00 C ATOM 476 CG ARG A 34 1.599 -7.215 -5.872 1.00 0.00 C ATOM 477 CD ARG A 34 2.864 -6.342 -5.742 1.00 0.00 C ATOM 478 NE ARG A 34 3.647 -6.412 -6.988 1.00 0.00 N ATOM 479 CZ ARG A 34 3.575 -5.483 -7.968 1.00 0.00 C ATOM 480 NH1 ARG A 34 2.741 -4.456 -7.870 1.00 0.00 N ATOM 481 NH2 ARG A 34 4.353 -5.599 -9.036 1.00 0.00 N ATOM 0 H ARG A 34 -0.205 -9.574 -4.266 1.00 0.00 H new ATOM 0 HA ARG A 34 0.512 -9.443 -7.181 1.00 0.00 H new ATOM 0 HB2 ARG A 34 2.236 -8.920 -4.718 1.00 0.00 H new ATOM 0 HB3 ARG A 34 2.813 -8.924 -6.373 1.00 0.00 H new ATOM 0 HG2 ARG A 34 1.121 -7.028 -6.834 1.00 0.00 H new ATOM 0 HG3 ARG A 34 0.881 -6.939 -5.100 1.00 0.00 H new ATOM 0 HD2 ARG A 34 2.585 -5.309 -5.534 1.00 0.00 H new ATOM 0 HD3 ARG A 34 3.468 -6.684 -4.902 1.00 0.00 H new ATOM 0 HE ARG A 34 4.277 -7.203 -7.118 1.00 0.00 H new ATOM 0 HH11 ARG A 34 2.144 -4.360 -7.048 1.00 0.00 H new ATOM 0 HH12 ARG A 34 2.696 -3.762 -8.616 1.00 0.00 H new ATOM 0 HH21 ARG A 34 4.999 -6.384 -9.113 1.00 0.00 H new ATOM 0 HH22 ARG A 34 4.305 -4.903 -9.780 1.00 0.00 H new ATOM 495 N THR A 35 2.033 -11.544 -6.969 1.00 0.00 N ATOM 496 CA THR A 35 2.584 -12.895 -6.944 1.00 0.00 C ATOM 497 C THR A 35 4.068 -12.887 -7.367 1.00 0.00 C ATOM 498 O THR A 35 4.601 -13.885 -7.831 1.00 0.00 O ATOM 499 CB THR A 35 1.699 -13.772 -7.850 1.00 0.00 C ATOM 500 OG1 THR A 35 0.345 -13.374 -7.745 1.00 0.00 O ATOM 501 CG2 THR A 35 1.820 -15.266 -7.538 1.00 0.00 C ATOM 0 H THR A 35 2.290 -10.995 -7.790 1.00 0.00 H new ATOM 0 HA THR A 35 2.573 -13.310 -5.936 1.00 0.00 H new ATOM 0 HB THR A 35 2.056 -13.625 -8.869 1.00 0.00 H new ATOM 0 HG1 THR A 35 -0.208 -13.937 -8.326 1.00 0.00 H new ATOM 0 HG21 THR A 35 1.173 -15.831 -8.209 1.00 0.00 H new ATOM 0 HG22 THR A 35 2.853 -15.584 -7.677 1.00 0.00 H new ATOM 0 HG23 THR A 35 1.520 -15.448 -6.506 1.00 0.00 H new ATOM 509 N ASP A 36 4.693 -11.704 -7.194 1.00 0.00 N ATOM 510 CA ASP A 36 6.079 -11.482 -7.611 1.00 0.00 C ATOM 511 C ASP A 36 7.067 -11.334 -6.427 1.00 0.00 C ATOM 512 O ASP A 36 8.272 -11.251 -6.636 1.00 0.00 O ATOM 513 CB ASP A 36 6.120 -10.258 -8.542 1.00 0.00 C ATOM 514 CG ASP A 36 5.580 -8.963 -7.913 1.00 0.00 C ATOM 515 OD1 ASP A 36 5.188 -8.953 -6.746 1.00 0.00 O ATOM 516 OD2 ASP A 36 5.541 -7.952 -8.607 1.00 0.00 O ATOM 0 H ASP A 36 4.252 -10.890 -6.766 1.00 0.00 H new ATOM 0 HA ASP A 36 6.418 -12.370 -8.144 1.00 0.00 H new ATOM 0 HB2 ASP A 36 7.150 -10.092 -8.858 1.00 0.00 H new ATOM 0 HB3 ASP A 36 5.543 -10.480 -9.439 1.00 0.00 H new ATOM 521 N GLY A 37 6.519 -11.365 -5.190 1.00 0.00 N ATOM 522 CA GLY A 37 7.375 -11.372 -4.005 1.00 0.00 C ATOM 523 C GLY A 37 7.687 -10.001 -3.393 1.00 0.00 C ATOM 524 O GLY A 37 8.691 -9.871 -2.705 1.00 0.00 O ATOM 0 H GLY A 37 5.517 -11.385 -5.000 1.00 0.00 H new ATOM 0 HA2 GLY A 37 6.900 -11.989 -3.242 1.00 0.00 H new ATOM 0 HA3 GLY A 37 8.317 -11.855 -4.265 1.00 0.00 H new ATOM 528 N TYR A 38 6.819 -8.994 -3.643 1.00 0.00 N ATOM 529 CA TYR A 38 7.071 -7.661 -3.069 1.00 0.00 C ATOM 530 C TYR A 38 5.823 -7.200 -2.307 1.00 0.00 C ATOM 531 O TYR A 38 4.700 -7.435 -2.737 1.00 0.00 O ATOM 532 CB TYR A 38 7.451 -6.654 -4.178 1.00 0.00 C ATOM 533 CG TYR A 38 8.414 -7.275 -5.154 1.00 0.00 C ATOM 534 CD1 TYR A 38 9.619 -7.821 -4.740 1.00 0.00 C ATOM 535 CD2 TYR A 38 8.087 -7.391 -6.493 1.00 0.00 C ATOM 536 CE1 TYR A 38 10.419 -8.527 -5.610 1.00 0.00 C ATOM 537 CE2 TYR A 38 8.886 -8.091 -7.366 1.00 0.00 C ATOM 538 CZ TYR A 38 10.047 -8.692 -6.928 1.00 0.00 C ATOM 539 OH TYR A 38 10.796 -9.472 -7.779 1.00 0.00 O ATOM 0 H TYR A 38 5.976 -9.074 -4.212 1.00 0.00 H new ATOM 0 HA TYR A 38 7.911 -7.715 -2.376 1.00 0.00 H new ATOM 0 HB2 TYR A 38 6.553 -6.328 -4.703 1.00 0.00 H new ATOM 0 HB3 TYR A 38 7.900 -5.766 -3.732 1.00 0.00 H new ATOM 0 HD1 TYR A 38 9.936 -7.690 -3.716 1.00 0.00 H new ATOM 0 HD2 TYR A 38 7.186 -6.922 -6.860 1.00 0.00 H new ATOM 0 HE1 TYR A 38 11.346 -8.955 -5.258 1.00 0.00 H new ATOM 0 HE2 TYR A 38 8.601 -8.171 -8.405 1.00 0.00 H new ATOM 0 HH TYR A 38 10.384 -9.475 -8.668 1.00 0.00 H new ATOM 549 N ARG A 39 6.081 -6.536 -1.160 1.00 0.00 N ATOM 550 CA ARG A 39 4.918 -6.009 -0.405 1.00 0.00 C ATOM 551 C ARG A 39 4.606 -4.623 -1.002 1.00 0.00 C ATOM 552 O ARG A 39 5.521 -3.857 -1.283 1.00 0.00 O ATOM 553 CB ARG A 39 5.252 -5.883 1.100 1.00 0.00 C ATOM 554 CG ARG A 39 5.904 -7.098 1.770 1.00 0.00 C ATOM 555 CD ARG A 39 5.685 -7.141 3.308 1.00 0.00 C ATOM 556 NE ARG A 39 4.278 -7.296 3.668 1.00 0.00 N ATOM 557 CZ ARG A 39 3.565 -8.412 3.404 1.00 0.00 C ATOM 558 NH1 ARG A 39 4.121 -9.475 2.838 1.00 0.00 N ATOM 559 NH2 ARG A 39 2.274 -8.424 3.710 1.00 0.00 N ATOM 0 H ARG A 39 7.002 -6.360 -0.759 1.00 0.00 H new ATOM 0 HA ARG A 39 4.063 -6.680 -0.487 1.00 0.00 H new ATOM 0 HB2 ARG A 39 5.915 -5.028 1.230 1.00 0.00 H new ATOM 0 HB3 ARG A 39 4.330 -5.655 1.634 1.00 0.00 H new ATOM 0 HG2 ARG A 39 5.501 -8.009 1.327 1.00 0.00 H new ATOM 0 HG3 ARG A 39 6.974 -7.089 1.562 1.00 0.00 H new ATOM 0 HD2 ARG A 39 6.258 -7.966 3.730 1.00 0.00 H new ATOM 0 HD3 ARG A 39 6.072 -6.224 3.753 1.00 0.00 H new ATOM 0 HE ARG A 39 3.811 -6.523 4.142 1.00 0.00 H new ATOM 0 HH11 ARG A 39 5.111 -9.462 2.591 1.00 0.00 H new ATOM 0 HH12 ARG A 39 3.559 -10.305 2.650 1.00 0.00 H new ATOM 0 HH21 ARG A 39 1.843 -7.603 4.134 1.00 0.00 H new ATOM 0 HH22 ARG A 39 1.713 -9.254 3.521 1.00 0.00 H new ATOM 573 N TRP A 40 3.305 -4.327 -1.188 1.00 0.00 N ATOM 574 CA TRP A 40 2.873 -3.039 -1.698 1.00 0.00 C ATOM 575 C TRP A 40 1.959 -2.396 -0.643 1.00 0.00 C ATOM 576 O TRP A 40 1.448 -3.060 0.254 1.00 0.00 O ATOM 577 CB TRP A 40 2.173 -3.186 -3.067 1.00 0.00 C ATOM 578 CG TRP A 40 0.846 -3.926 -2.971 1.00 0.00 C ATOM 579 CD1 TRP A 40 0.677 -5.315 -2.922 1.00 0.00 C ATOM 580 CD2 TRP A 40 -0.488 -3.362 -2.939 1.00 0.00 C ATOM 581 NE1 TRP A 40 -0.642 -5.611 -2.874 1.00 0.00 N ATOM 582 CE2 TRP A 40 -1.387 -4.449 -2.887 1.00 0.00 C ATOM 583 CE3 TRP A 40 -0.982 -2.084 -2.943 1.00 0.00 C ATOM 584 CZ2 TRP A 40 -2.732 -4.233 -2.851 1.00 0.00 C ATOM 585 CZ3 TRP A 40 -2.363 -1.852 -2.905 1.00 0.00 C ATOM 586 CH2 TRP A 40 -3.239 -2.937 -2.865 1.00 0.00 C ATOM 0 H TRP A 40 2.543 -4.974 -0.988 1.00 0.00 H new ATOM 0 HA TRP A 40 3.733 -2.392 -1.872 1.00 0.00 H new ATOM 0 HB2 TRP A 40 2.003 -2.197 -3.492 1.00 0.00 H new ATOM 0 HB3 TRP A 40 2.832 -3.718 -3.753 1.00 0.00 H new ATOM 0 HD1 TRP A 40 1.478 -6.040 -2.922 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -1.029 -6.554 -2.834 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -0.300 -1.247 -2.976 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -3.409 -5.073 -2.811 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -2.746 -0.842 -2.907 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -4.306 -2.772 -2.845 1.00 0.00 H new ATOM 597 N CYS A 41 1.777 -1.077 -0.807 1.00 0.00 N ATOM 598 CA CYS A 41 0.862 -0.312 0.016 1.00 0.00 C ATOM 599 C CYS A 41 0.026 0.542 -0.941 1.00 0.00 C ATOM 600 O CYS A 41 0.519 0.979 -1.975 1.00 0.00 O ATOM 601 CB CYS A 41 1.639 0.587 0.975 1.00 0.00 C ATOM 602 SG CYS A 41 2.474 1.943 0.094 1.00 0.00 S ATOM 0 H CYS A 41 2.263 -0.524 -1.513 1.00 0.00 H new ATOM 0 HA CYS A 41 0.231 -0.968 0.616 1.00 0.00 H new ATOM 0 HB2 CYS A 41 0.958 1.001 1.719 1.00 0.00 H new ATOM 0 HB3 CYS A 41 2.377 -0.007 1.514 1.00 0.00 H new ATOM 607 N GLY A 42 -1.243 0.761 -0.568 1.00 0.00 N ATOM 608 CA GLY A 42 -2.068 1.613 -1.409 1.00 0.00 C ATOM 609 C GLY A 42 -1.783 3.079 -1.071 1.00 0.00 C ATOM 610 O GLY A 42 -1.381 3.416 0.039 1.00 0.00 O ATOM 0 H GLY A 42 -1.694 0.381 0.264 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.856 1.422 -2.461 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -3.123 1.389 -1.251 1.00 0.00 H new ATOM 614 N THR A 43 -2.049 3.921 -2.081 1.00 0.00 N ATOM 615 CA THR A 43 -1.969 5.362 -1.892 1.00 0.00 C ATOM 616 C THR A 43 -3.396 5.857 -2.112 1.00 0.00 C ATOM 617 O THR A 43 -4.146 5.298 -2.904 1.00 0.00 O ATOM 618 CB THR A 43 -0.930 6.010 -2.823 1.00 0.00 C ATOM 619 OG1 THR A 43 -0.701 5.263 -3.999 1.00 0.00 O ATOM 620 CG2 THR A 43 0.416 6.136 -2.108 1.00 0.00 C ATOM 0 H THR A 43 -2.317 3.627 -3.020 1.00 0.00 H new ATOM 0 HA THR A 43 -1.614 5.638 -0.899 1.00 0.00 H new ATOM 0 HB THR A 43 -1.341 6.983 -3.092 1.00 0.00 H new ATOM 0 HG1 THR A 43 -1.527 4.805 -4.262 1.00 0.00 H new ATOM 0 HG21 THR A 43 1.142 6.596 -2.778 1.00 0.00 H new ATOM 0 HG22 THR A 43 0.299 6.756 -1.219 1.00 0.00 H new ATOM 0 HG23 THR A 43 0.767 5.146 -1.817 1.00 0.00 H new ATOM 628 N THR A 44 -3.709 6.869 -1.284 1.00 0.00 N ATOM 629 CA THR A 44 -5.058 7.389 -1.154 1.00 0.00 C ATOM 630 C THR A 44 -5.818 6.385 -0.264 1.00 0.00 C ATOM 631 O THR A 44 -5.454 5.220 -0.153 1.00 0.00 O ATOM 632 CB THR A 44 -5.754 7.687 -2.498 1.00 0.00 C ATOM 633 OG1 THR A 44 -4.805 8.204 -3.423 1.00 0.00 O ATOM 634 CG2 THR A 44 -6.866 8.736 -2.308 1.00 0.00 C ATOM 0 H THR A 44 -3.026 7.341 -0.692 1.00 0.00 H new ATOM 0 HA THR A 44 -5.040 8.375 -0.690 1.00 0.00 H new ATOM 0 HB THR A 44 -6.186 6.759 -2.873 1.00 0.00 H new ATOM 0 HG1 THR A 44 -5.240 8.353 -4.288 1.00 0.00 H new ATOM 0 HG21 THR A 44 -7.347 8.934 -3.266 1.00 0.00 H new ATOM 0 HG22 THR A 44 -7.606 8.358 -1.602 1.00 0.00 H new ATOM 0 HG23 THR A 44 -6.434 9.659 -1.921 1.00 0.00 H new ATOM 642 N GLU A 45 -6.862 6.903 0.396 1.00 0.00 N ATOM 643 CA GLU A 45 -7.571 6.094 1.386 1.00 0.00 C ATOM 644 C GLU A 45 -8.244 4.841 0.777 1.00 0.00 C ATOM 645 O GLU A 45 -8.513 3.868 1.472 1.00 0.00 O ATOM 646 CB GLU A 45 -8.563 6.939 2.231 1.00 0.00 C ATOM 647 CG GLU A 45 -8.259 8.454 2.330 1.00 0.00 C ATOM 648 CD GLU A 45 -6.785 8.781 2.631 1.00 0.00 C ATOM 649 OE1 GLU A 45 -6.336 8.527 3.746 1.00 0.00 O ATOM 650 OE2 GLU A 45 -6.102 9.277 1.732 1.00 0.00 O ATOM 0 H GLU A 45 -7.223 7.848 0.267 1.00 0.00 H new ATOM 0 HA GLU A 45 -6.808 5.721 2.069 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -9.561 6.817 1.811 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -8.589 6.528 3.240 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -8.542 8.932 1.392 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -8.883 8.889 3.111 1.00 0.00 H new ATOM 657 N ASP A 46 -8.524 4.924 -0.545 1.00 0.00 N ATOM 658 CA ASP A 46 -9.201 3.828 -1.237 1.00 0.00 C ATOM 659 C ASP A 46 -8.442 3.455 -2.530 1.00 0.00 C ATOM 660 O ASP A 46 -8.486 4.148 -3.540 1.00 0.00 O ATOM 661 CB ASP A 46 -10.687 4.186 -1.442 1.00 0.00 C ATOM 662 CG ASP A 46 -11.494 2.955 -1.863 1.00 0.00 C ATOM 663 OD1 ASP A 46 -11.166 2.374 -2.892 1.00 0.00 O ATOM 664 OD2 ASP A 46 -12.429 2.588 -1.154 1.00 0.00 O ATOM 0 H ASP A 46 -8.293 5.724 -1.134 1.00 0.00 H new ATOM 0 HA ASP A 46 -9.190 2.923 -0.630 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -11.097 4.596 -0.519 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -10.776 4.962 -2.203 1.00 0.00 H new ATOM 669 N TYR A 47 -7.723 2.317 -2.429 1.00 0.00 N ATOM 670 CA TYR A 47 -6.934 1.839 -3.565 1.00 0.00 C ATOM 671 C TYR A 47 -7.847 1.360 -4.691 1.00 0.00 C ATOM 672 O TYR A 47 -7.531 1.507 -5.866 1.00 0.00 O ATOM 673 CB TYR A 47 -6.045 0.662 -3.125 1.00 0.00 C ATOM 674 CG TYR A 47 -5.274 0.107 -4.289 1.00 0.00 C ATOM 675 CD1 TYR A 47 -4.160 0.767 -4.777 1.00 0.00 C ATOM 676 CD2 TYR A 47 -5.673 -1.070 -4.905 1.00 0.00 C ATOM 677 CE1 TYR A 47 -3.443 0.244 -5.838 1.00 0.00 C ATOM 678 CE2 TYR A 47 -4.939 -1.609 -5.946 1.00 0.00 C ATOM 679 CZ TYR A 47 -3.824 -0.948 -6.427 1.00 0.00 C ATOM 680 OH TYR A 47 -3.109 -1.466 -7.485 1.00 0.00 O ATOM 0 H TYR A 47 -7.677 1.732 -1.595 1.00 0.00 H new ATOM 0 HA TYR A 47 -6.319 2.665 -3.922 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -5.353 0.993 -2.351 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -6.663 -0.121 -2.686 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -3.848 1.697 -4.326 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -6.568 -1.572 -4.568 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -2.577 0.772 -6.210 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -5.238 -2.550 -6.385 1.00 0.00 H new ATOM 0 HH TYR A 47 -2.206 -1.085 -7.487 1.00 0.00 H new ATOM 690 N ASP A 48 -8.981 0.763 -4.283 1.00 0.00 N ATOM 691 CA ASP A 48 -9.881 0.236 -5.299 1.00 0.00 C ATOM 692 C ASP A 48 -10.329 1.358 -6.261 1.00 0.00 C ATOM 693 O ASP A 48 -10.490 1.162 -7.463 1.00 0.00 O ATOM 694 CB ASP A 48 -11.107 -0.465 -4.670 1.00 0.00 C ATOM 695 CG ASP A 48 -10.719 -1.725 -3.873 1.00 0.00 C ATOM 696 OD1 ASP A 48 -9.902 -2.505 -4.363 1.00 0.00 O ATOM 697 OD2 ASP A 48 -11.233 -1.932 -2.772 1.00 0.00 O ATOM 0 H ASP A 48 -9.277 0.642 -3.314 1.00 0.00 H new ATOM 0 HA ASP A 48 -9.332 -0.514 -5.868 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -11.623 0.234 -4.011 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -11.809 -0.739 -5.457 1.00 0.00 H new ATOM 702 N ARG A 49 -10.513 2.555 -5.674 1.00 0.00 N ATOM 703 CA ARG A 49 -10.885 3.722 -6.461 1.00 0.00 C ATOM 704 C ARG A 49 -9.670 4.284 -7.253 1.00 0.00 C ATOM 705 O ARG A 49 -9.745 4.387 -8.475 1.00 0.00 O ATOM 706 CB ARG A 49 -11.548 4.770 -5.534 1.00 0.00 C ATOM 707 CG ARG A 49 -12.046 6.083 -6.185 1.00 0.00 C ATOM 708 CD ARG A 49 -11.999 7.290 -5.173 1.00 0.00 C ATOM 709 NE ARG A 49 -10.680 7.917 -5.269 1.00 0.00 N ATOM 710 CZ ARG A 49 -10.393 9.227 -5.118 1.00 0.00 C ATOM 711 NH1 ARG A 49 -11.358 10.128 -4.952 1.00 0.00 N ATOM 712 NH2 ARG A 49 -9.120 9.606 -5.135 1.00 0.00 N ATOM 0 H ARG A 49 -10.410 2.728 -4.674 1.00 0.00 H new ATOM 0 HA ARG A 49 -11.616 3.438 -7.218 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -12.397 4.295 -5.042 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -10.832 5.031 -4.754 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -11.431 6.314 -7.055 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -13.067 5.948 -6.543 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -12.781 8.012 -5.407 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -12.181 6.941 -4.157 1.00 0.00 H new ATOM 0 HE ARG A 49 -9.895 7.298 -5.471 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -12.334 9.833 -4.937 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -11.121 11.114 -4.839 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -8.383 8.912 -5.260 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -8.880 10.591 -5.023 1.00 0.00 H new ATOM 726 N ASP A 50 -8.594 4.649 -6.521 1.00 0.00 N ATOM 727 CA ASP A 50 -7.400 5.300 -7.098 1.00 0.00 C ATOM 728 C ASP A 50 -6.495 4.439 -8.037 1.00 0.00 C ATOM 729 O ASP A 50 -6.019 4.932 -9.050 1.00 0.00 O ATOM 730 CB ASP A 50 -6.541 5.898 -5.957 1.00 0.00 C ATOM 731 CG ASP A 50 -7.217 7.111 -5.317 1.00 0.00 C ATOM 732 OD1 ASP A 50 -8.194 6.955 -4.601 1.00 0.00 O ATOM 733 OD2 ASP A 50 -6.767 8.237 -5.527 1.00 0.00 O ATOM 0 H ASP A 50 -8.530 4.500 -5.514 1.00 0.00 H new ATOM 0 HA ASP A 50 -7.810 6.062 -7.761 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -6.364 5.137 -5.197 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -5.567 6.189 -6.349 1.00 0.00 H new ATOM 738 N LYS A 51 -6.217 3.179 -7.643 1.00 0.00 N ATOM 739 CA LYS A 51 -5.330 2.244 -8.358 1.00 0.00 C ATOM 740 C LYS A 51 -3.858 2.683 -8.417 1.00 0.00 C ATOM 741 O LYS A 51 -3.137 2.333 -9.346 1.00 0.00 O ATOM 742 CB LYS A 51 -5.760 1.898 -9.801 1.00 0.00 C ATOM 743 CG LYS A 51 -7.115 1.173 -9.887 1.00 0.00 C ATOM 744 CD LYS A 51 -8.304 2.056 -9.522 1.00 0.00 C ATOM 745 CE LYS A 51 -9.599 1.622 -10.214 1.00 0.00 C ATOM 746 NZ LYS A 51 -10.726 2.388 -9.700 1.00 0.00 N ATOM 0 H LYS A 51 -6.615 2.775 -6.795 1.00 0.00 H new ATOM 0 HA LYS A 51 -5.429 1.355 -7.735 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -5.812 2.817 -10.385 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -4.994 1.272 -10.259 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -7.252 0.795 -10.900 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -7.098 0.308 -9.223 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -8.449 2.034 -8.442 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -8.081 3.088 -9.792 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -9.511 1.769 -11.291 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -9.768 0.558 -10.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -11.488 2.402 -10.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -11.075 1.948 -8.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -10.421 3.362 -9.500 1.00 0.00 H new ATOM 760 N LYS A 52 -3.428 3.430 -7.393 1.00 0.00 N ATOM 761 CA LYS A 52 -2.032 3.840 -7.354 1.00 0.00 C ATOM 762 C LYS A 52 -1.465 3.302 -6.040 1.00 0.00 C ATOM 763 O LYS A 52 -2.140 3.323 -5.014 1.00 0.00 O ATOM 764 CB LYS A 52 -1.903 5.373 -7.484 1.00 0.00 C ATOM 765 CG LYS A 52 -2.541 6.001 -8.754 1.00 0.00 C ATOM 766 CD LYS A 52 -2.011 5.518 -10.118 1.00 0.00 C ATOM 767 CE LYS A 52 -0.484 5.533 -10.182 1.00 0.00 C ATOM 768 NZ LYS A 52 0.105 6.849 -9.953 1.00 0.00 N ATOM 0 H LYS A 52 -4.004 3.749 -6.614 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.466 3.437 -8.194 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -2.358 5.832 -6.607 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -0.844 5.632 -7.466 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -3.614 5.812 -8.722 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -2.406 7.081 -8.702 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -2.371 4.507 -10.308 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -2.412 6.153 -10.908 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -0.092 4.837 -9.441 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -0.168 5.169 -11.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 1.063 6.738 -9.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 0.156 7.368 -10.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -0.483 7.380 -9.280 1.00 0.00 H new ATOM 782 N TYR A 53 -0.230 2.777 -6.142 1.00 0.00 N ATOM 783 CA TYR A 53 0.412 2.133 -5.013 1.00 0.00 C ATOM 784 C TYR A 53 1.921 2.388 -5.018 1.00 0.00 C ATOM 785 O TYR A 53 2.518 2.843 -5.985 1.00 0.00 O ATOM 786 CB TYR A 53 0.179 0.611 -5.093 1.00 0.00 C ATOM 787 CG TYR A 53 0.919 -0.074 -6.217 1.00 0.00 C ATOM 788 CD1 TYR A 53 0.369 -0.160 -7.488 1.00 0.00 C ATOM 789 CD2 TYR A 53 2.165 -0.650 -5.993 1.00 0.00 C ATOM 790 CE1 TYR A 53 1.020 -0.847 -8.503 1.00 0.00 C ATOM 791 CE2 TYR A 53 2.826 -1.326 -7.004 1.00 0.00 C ATOM 792 CZ TYR A 53 2.246 -1.446 -8.256 1.00 0.00 C ATOM 793 OH TYR A 53 2.888 -2.192 -9.228 1.00 0.00 O ATOM 0 H TYR A 53 0.329 2.793 -6.995 1.00 0.00 H new ATOM 0 HA TYR A 53 -0.017 2.545 -4.100 1.00 0.00 H new ATOM 0 HB2 TYR A 53 0.480 0.159 -4.148 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -0.889 0.425 -5.210 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -0.580 0.315 -7.690 1.00 0.00 H new ATOM 0 HD2 TYR A 53 2.623 -0.569 -5.018 1.00 0.00 H new ATOM 0 HE1 TYR A 53 0.573 -0.915 -9.484 1.00 0.00 H new ATOM 0 HE2 TYR A 53 3.796 -1.761 -6.816 1.00 0.00 H new ATOM 0 HH TYR A 53 3.816 -2.352 -8.957 1.00 0.00 H new ATOM 803 N GLY A 54 2.489 2.006 -3.870 1.00 0.00 N ATOM 804 CA GLY A 54 3.932 2.083 -3.652 1.00 0.00 C ATOM 805 C GLY A 54 4.444 0.728 -3.137 1.00 0.00 C ATOM 806 O GLY A 54 3.635 -0.153 -2.854 1.00 0.00 O ATOM 0 H GLY A 54 1.966 1.639 -3.075 1.00 0.00 H new ATOM 0 HA2 GLY A 54 4.438 2.346 -4.581 1.00 0.00 H new ATOM 0 HA3 GLY A 54 4.161 2.868 -2.931 1.00 0.00 H new ATOM 810 N PHE A 55 5.791 0.597 -2.993 1.00 0.00 N ATOM 811 CA PHE A 55 6.323 -0.644 -2.418 1.00 0.00 C ATOM 812 C PHE A 55 6.618 -0.371 -0.940 1.00 0.00 C ATOM 813 O PHE A 55 6.819 0.757 -0.514 1.00 0.00 O ATOM 814 CB PHE A 55 7.559 -1.217 -3.132 1.00 0.00 C ATOM 815 CG PHE A 55 7.228 -1.772 -4.491 1.00 0.00 C ATOM 816 CD1 PHE A 55 6.267 -2.765 -4.651 1.00 0.00 C ATOM 817 CD2 PHE A 55 7.890 -1.298 -5.612 1.00 0.00 C ATOM 818 CE1 PHE A 55 5.964 -3.251 -5.915 1.00 0.00 C ATOM 819 CE2 PHE A 55 7.585 -1.774 -6.877 1.00 0.00 C ATOM 820 CZ PHE A 55 6.618 -2.755 -7.033 1.00 0.00 C ATOM 0 H PHE A 55 6.484 1.298 -3.254 1.00 0.00 H new ATOM 0 HA PHE A 55 5.568 -1.420 -2.548 1.00 0.00 H new ATOM 0 HB2 PHE A 55 8.311 -0.435 -3.235 1.00 0.00 H new ATOM 0 HB3 PHE A 55 7.998 -2.003 -2.518 1.00 0.00 H new ATOM 0 HD1 PHE A 55 5.754 -3.160 -3.787 1.00 0.00 H new ATOM 0 HD2 PHE A 55 8.656 -0.545 -5.498 1.00 0.00 H new ATOM 0 HE1 PHE A 55 5.214 -4.020 -6.029 1.00 0.00 H new ATOM 0 HE2 PHE A 55 8.100 -1.381 -7.741 1.00 0.00 H new ATOM 0 HZ PHE A 55 6.376 -3.130 -8.017 1.00 0.00 H new ATOM 830 N CYS A 56 6.537 -1.481 -0.194 1.00 0.00 N ATOM 831 CA CYS A 56 6.606 -1.434 1.275 1.00 0.00 C ATOM 832 C CYS A 56 7.640 -2.514 1.668 1.00 0.00 C ATOM 833 O CYS A 56 7.841 -3.471 0.930 1.00 0.00 O ATOM 834 CB CYS A 56 5.167 -1.817 1.728 1.00 0.00 C ATOM 835 SG CYS A 56 4.465 -0.997 3.189 1.00 0.00 S ATOM 0 H CYS A 56 6.424 -2.418 -0.580 1.00 0.00 H new ATOM 0 HA CYS A 56 6.901 -0.482 1.717 1.00 0.00 H new ATOM 0 HB2 CYS A 56 4.496 -1.630 0.890 1.00 0.00 H new ATOM 0 HB3 CYS A 56 5.154 -2.891 1.914 1.00 0.00 H new ATOM 840 N PRO A 57 8.320 -2.332 2.828 1.00 0.00 N ATOM 841 CA PRO A 57 9.424 -3.214 3.210 1.00 0.00 C ATOM 842 C PRO A 57 8.945 -4.571 3.774 1.00 0.00 C ATOM 843 O PRO A 57 8.092 -4.626 4.649 1.00 0.00 O ATOM 844 CB PRO A 57 10.145 -2.409 4.295 1.00 0.00 C ATOM 845 CG PRO A 57 9.041 -1.570 4.942 1.00 0.00 C ATOM 846 CD PRO A 57 8.078 -1.254 3.790 1.00 0.00 C ATOM 0 HA PRO A 57 10.048 -3.477 2.356 1.00 0.00 H new ATOM 0 HB2 PRO A 57 10.625 -3.063 5.023 1.00 0.00 H new ATOM 0 HB3 PRO A 57 10.926 -1.779 3.869 1.00 0.00 H new ATOM 0 HG2 PRO A 57 8.540 -2.119 5.739 1.00 0.00 H new ATOM 0 HG3 PRO A 57 9.442 -0.659 5.386 1.00 0.00 H new ATOM 0 HD2 PRO A 57 7.041 -1.243 4.127 1.00 0.00 H new ATOM 0 HD3 PRO A 57 8.282 -0.276 3.355 1.00 0.00 H new ATOM 854 N GLU A 58 9.552 -5.658 3.239 1.00 0.00 N ATOM 855 CA GLU A 58 9.219 -6.995 3.753 1.00 0.00 C ATOM 856 C GLU A 58 9.702 -7.122 5.216 1.00 0.00 C ATOM 857 O GLU A 58 8.986 -7.540 6.116 1.00 0.00 O ATOM 858 CB GLU A 58 9.804 -8.114 2.860 1.00 0.00 C ATOM 859 CG GLU A 58 9.136 -9.496 3.060 1.00 0.00 C ATOM 860 CD GLU A 58 7.811 -9.673 2.285 1.00 0.00 C ATOM 861 OE1 GLU A 58 7.788 -9.408 1.086 1.00 0.00 O ATOM 862 OE2 GLU A 58 6.809 -10.077 2.878 1.00 0.00 O ATOM 0 H GLU A 58 10.242 -5.635 2.488 1.00 0.00 H new ATOM 0 HA GLU A 58 8.136 -7.117 3.730 1.00 0.00 H new ATOM 0 HB2 GLU A 58 9.702 -7.821 1.815 1.00 0.00 H new ATOM 0 HB3 GLU A 58 10.871 -8.205 3.063 1.00 0.00 H new ATOM 0 HG2 GLU A 58 9.834 -10.273 2.748 1.00 0.00 H new ATOM 0 HG3 GLU A 58 8.946 -9.646 4.123 1.00 0.00 H new ATOM 869 N THR A 59 10.971 -6.710 5.378 1.00 0.00 N ATOM 870 CA THR A 59 11.620 -6.711 6.679 1.00 0.00 C ATOM 871 C THR A 59 11.189 -5.467 7.473 1.00 0.00 C ATOM 872 O THR A 59 11.077 -4.379 6.922 1.00 0.00 O ATOM 873 CB THR A 59 13.136 -6.678 6.418 1.00 0.00 C ATOM 874 OG1 THR A 59 13.441 -7.472 5.288 1.00 0.00 O ATOM 875 CG2 THR A 59 13.973 -7.091 7.638 1.00 0.00 C ATOM 0 H THR A 59 11.560 -6.373 4.616 1.00 0.00 H new ATOM 0 HA THR A 59 11.346 -7.592 7.260 1.00 0.00 H new ATOM 0 HB THR A 59 13.409 -5.642 6.217 1.00 0.00 H new ATOM 0 HG1 THR A 59 14.407 -7.448 5.122 1.00 0.00 H new ATOM 0 HG21 THR A 59 15.032 -7.046 7.385 1.00 0.00 H new ATOM 0 HG22 THR A 59 13.768 -6.412 8.466 1.00 0.00 H new ATOM 0 HG23 THR A 59 13.713 -8.108 7.930 1.00 0.00 H new ATOM 883 N ALA A 60 10.977 -5.692 8.779 1.00 0.00 N ATOM 884 CA ALA A 60 10.597 -4.635 9.699 1.00 0.00 C ATOM 885 C ALA A 60 10.936 -5.110 11.122 1.00 0.00 C ATOM 886 O ALA A 60 11.173 -6.308 11.299 1.00 0.00 O ATOM 887 CB ALA A 60 9.098 -4.331 9.571 1.00 0.00 C ATOM 888 OXT ALA A 60 10.963 -4.283 12.030 1.00 0.00 O ATOM 0 H ALA A 60 11.066 -6.610 9.215 1.00 0.00 H new ATOM 0 HA ALA A 60 11.138 -3.717 9.471 1.00 0.00 H new ATOM 0 HB1 ALA A 60 8.827 -3.537 10.267 1.00 0.00 H new ATOM 0 HB2 ALA A 60 8.877 -4.012 8.552 1.00 0.00 H new ATOM 0 HB3 ALA A 60 8.524 -5.228 9.803 1.00 0.00 H new TER 894 ALA A 60