USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 589 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 Single : A 3 TYR OH : rot 30:sc= 0 USER MOD Single : A 4 THR OG1 : rot 143:sc= -0.526 USER MOD Single : A 7 THR OG1 : rot -102:sc= 1.47 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -170:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= -0.281 USER MOD Single : A 19 SER OG : rot 180:sc= -0.174 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0.031) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -0.411 K(o=-0.41,f=-3.8!) USER MOD Single : A 50 HIS : no HE2:sc= -3.12 K(o=-3.1,f=-4.1!) USER MOD Single : A 53 THR OG1 : rot -91:sc= -2.02 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 37 N TYR A 3 -14.853 -15.873 -9.236 1.00 0.00 N ATOM 38 CA TYR A 3 -14.589 -14.671 -8.453 1.00 0.00 C ATOM 39 C TYR A 3 -14.926 -14.913 -6.995 1.00 0.00 C ATOM 40 O TYR A 3 -16.060 -14.704 -6.565 1.00 0.00 O ATOM 41 CB TYR A 3 -15.424 -13.509 -8.983 1.00 0.00 C ATOM 42 CG TYR A 3 -14.931 -13.126 -10.358 1.00 0.00 C ATOM 43 CD1 TYR A 3 -15.259 -13.920 -11.464 1.00 0.00 C ATOM 44 CD2 TYR A 3 -14.158 -11.973 -10.530 1.00 0.00 C ATOM 45 CE1 TYR A 3 -14.810 -13.562 -12.740 1.00 0.00 C ATOM 46 CE2 TYR A 3 -13.708 -11.617 -11.806 1.00 0.00 C ATOM 47 CZ TYR A 3 -14.036 -12.410 -12.911 1.00 0.00 C ATOM 48 OH TYR A 3 -13.593 -12.057 -14.168 1.00 0.00 O ATOM 0 HA TYR A 3 -13.531 -14.424 -8.539 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -16.476 -13.792 -9.027 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -15.352 -12.656 -8.308 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -15.858 -14.809 -11.332 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -13.909 -11.358 -9.678 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -15.061 -14.175 -13.593 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -13.107 -10.729 -11.938 1.00 0.00 H new ATOM 0 HH TYR A 3 -14.234 -12.369 -14.840 1.00 0.00 H new ATOM 58 N THR A 4 -13.934 -15.369 -6.239 1.00 0.00 N ATOM 59 CA THR A 4 -14.130 -15.663 -4.819 1.00 0.00 C ATOM 60 C THR A 4 -13.737 -14.455 -3.964 1.00 0.00 C ATOM 61 O THR A 4 -12.916 -13.633 -4.376 1.00 0.00 O ATOM 62 CB THR A 4 -13.286 -16.893 -4.405 1.00 0.00 C ATOM 63 OG1 THR A 4 -12.231 -16.490 -3.539 1.00 0.00 O ATOM 64 CG2 THR A 4 -12.690 -17.556 -5.648 1.00 0.00 C ATOM 0 H THR A 4 -12.989 -15.543 -6.581 1.00 0.00 H new ATOM 0 HA THR A 4 -15.185 -15.883 -4.656 1.00 0.00 H new ATOM 0 HB THR A 4 -13.931 -17.602 -3.886 1.00 0.00 H new ATOM 0 HG1 THR A 4 -12.093 -17.175 -2.852 1.00 0.00 H new ATOM 0 HG21 THR A 4 -12.097 -18.421 -5.350 1.00 0.00 H new ATOM 0 HG22 THR A 4 -13.494 -17.878 -6.310 1.00 0.00 H new ATOM 0 HG23 THR A 4 -12.053 -16.842 -6.171 1.00 0.00 H new ATOM 72 N PRO A 5 -14.301 -14.337 -2.788 1.00 0.00 N ATOM 73 CA PRO A 5 -13.998 -13.208 -1.858 1.00 0.00 C ATOM 74 C PRO A 5 -12.566 -13.263 -1.329 1.00 0.00 C ATOM 75 O PRO A 5 -11.920 -12.231 -1.157 1.00 0.00 O ATOM 76 CB PRO A 5 -15.018 -13.390 -0.718 1.00 0.00 C ATOM 77 CG PRO A 5 -15.381 -14.843 -0.752 1.00 0.00 C ATOM 78 CD PRO A 5 -15.287 -15.267 -2.215 1.00 0.00 C ATOM 0 HA PRO A 5 -14.075 -12.239 -2.352 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -14.588 -13.113 0.245 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -15.895 -12.760 -0.869 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -14.703 -15.429 -0.132 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -16.387 -15.003 -0.363 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -14.962 -16.303 -2.311 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -16.251 -15.187 -2.717 1.00 0.00 H new ATOM 86 N ASP A 6 -12.079 -14.473 -1.067 1.00 0.00 N ATOM 87 CA ASP A 6 -10.723 -14.651 -0.548 1.00 0.00 C ATOM 88 C ASP A 6 -10.024 -15.801 -1.258 1.00 0.00 C ATOM 89 O ASP A 6 -10.185 -16.964 -0.887 1.00 0.00 O ATOM 90 CB ASP A 6 -10.780 -14.943 0.951 1.00 0.00 C ATOM 91 CG ASP A 6 -9.368 -15.038 1.516 1.00 0.00 C ATOM 92 OD1 ASP A 6 -8.434 -14.957 0.737 1.00 0.00 O ATOM 93 OD2 ASP A 6 -9.242 -15.180 2.722 1.00 0.00 O ATOM 0 H ASP A 6 -12.598 -15.340 -1.204 1.00 0.00 H new ATOM 0 HA ASP A 6 -10.162 -13.734 -0.725 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -11.333 -14.156 1.463 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -11.315 -15.876 1.128 1.00 0.00 H new ATOM 98 N THR A 7 -9.241 -15.470 -2.281 1.00 0.00 N ATOM 99 CA THR A 7 -8.507 -16.481 -3.042 1.00 0.00 C ATOM 100 C THR A 7 -7.113 -15.978 -3.384 1.00 0.00 C ATOM 101 O THR A 7 -6.908 -14.783 -3.592 1.00 0.00 O ATOM 102 CB THR A 7 -9.259 -16.817 -4.328 1.00 0.00 C ATOM 103 OG1 THR A 7 -8.422 -17.589 -5.176 1.00 0.00 O ATOM 104 CG2 THR A 7 -9.674 -15.526 -5.037 1.00 0.00 C ATOM 0 H THR A 7 -9.098 -14.513 -2.603 1.00 0.00 H new ATOM 0 HA THR A 7 -8.420 -17.379 -2.430 1.00 0.00 H new ATOM 0 HB THR A 7 -10.154 -17.391 -4.087 1.00 0.00 H new ATOM 0 HG1 THR A 7 -8.056 -17.017 -5.883 1.00 0.00 H new ATOM 0 HG21 THR A 7 -10.210 -15.771 -5.954 1.00 0.00 H new ATOM 0 HG22 THR A 7 -10.322 -14.943 -4.382 1.00 0.00 H new ATOM 0 HG23 THR A 7 -8.786 -14.943 -5.281 1.00 0.00 H new ATOM 112 N ALA A 8 -6.156 -16.899 -3.449 1.00 0.00 N ATOM 113 CA ALA A 8 -4.774 -16.537 -3.778 1.00 0.00 C ATOM 114 C ALA A 8 -4.520 -16.775 -5.256 1.00 0.00 C ATOM 115 O ALA A 8 -4.321 -17.911 -5.686 1.00 0.00 O ATOM 116 CB ALA A 8 -3.803 -17.384 -2.955 1.00 0.00 C ATOM 0 H ALA A 8 -6.306 -17.894 -3.281 1.00 0.00 H new ATOM 0 HA ALA A 8 -4.620 -15.483 -3.546 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -2.778 -17.109 -3.205 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -3.977 -17.209 -1.893 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -3.961 -18.439 -3.179 1.00 0.00 H new ATOM 122 N TRP A 9 -4.534 -15.694 -6.038 1.00 0.00 N ATOM 123 CA TRP A 9 -4.317 -15.791 -7.483 1.00 0.00 C ATOM 124 C TRP A 9 -2.867 -15.467 -7.824 1.00 0.00 C ATOM 125 O TRP A 9 -2.252 -14.591 -7.214 1.00 0.00 O ATOM 126 CB TRP A 9 -5.248 -14.816 -8.215 1.00 0.00 C ATOM 127 CG TRP A 9 -6.641 -15.369 -8.266 1.00 0.00 C ATOM 128 CD1 TRP A 9 -7.128 -16.341 -7.459 1.00 0.00 C ATOM 129 CD2 TRP A 9 -7.733 -15.002 -9.158 1.00 0.00 C ATOM 130 NE1 TRP A 9 -8.443 -16.588 -7.798 1.00 0.00 N ATOM 131 CE2 TRP A 9 -8.860 -15.790 -8.836 1.00 0.00 C ATOM 132 CE3 TRP A 9 -7.854 -14.070 -10.203 1.00 0.00 C ATOM 133 CZ2 TRP A 9 -10.061 -15.663 -9.522 1.00 0.00 C ATOM 134 CZ3 TRP A 9 -9.063 -13.937 -10.900 1.00 0.00 C ATOM 135 CH2 TRP A 9 -10.165 -14.730 -10.560 1.00 0.00 C ATOM 0 H TRP A 9 -4.692 -14.746 -5.697 1.00 0.00 H new ATOM 0 HA TRP A 9 -4.536 -16.810 -7.802 1.00 0.00 H new ATOM 0 HB2 TRP A 9 -5.250 -13.852 -7.706 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -4.881 -14.641 -9.226 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -6.577 -16.842 -6.677 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -9.033 -17.279 -7.334 1.00 0.00 H new ATOM 0 HE3 TRP A 9 -7.010 -13.452 -10.471 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -10.907 -16.279 -9.257 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -9.144 -13.219 -11.703 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -11.095 -14.622 -11.098 1.00 0.00 H new ATOM 146 N LYS A 10 -2.327 -16.181 -8.806 1.00 0.00 N ATOM 147 CA LYS A 10 -0.950 -15.969 -9.234 1.00 0.00 C ATOM 148 C LYS A 10 -0.925 -15.114 -10.486 1.00 0.00 C ATOM 149 O LYS A 10 -1.654 -15.378 -11.438 1.00 0.00 O ATOM 150 CB LYS A 10 -0.281 -17.310 -9.510 1.00 0.00 C ATOM 151 CG LYS A 10 1.202 -17.083 -9.825 1.00 0.00 C ATOM 152 CD LYS A 10 1.883 -18.420 -10.135 1.00 0.00 C ATOM 153 CE LYS A 10 2.165 -19.191 -8.839 1.00 0.00 C ATOM 154 NZ LYS A 10 3.046 -20.351 -9.141 1.00 0.00 N ATOM 0 H LYS A 10 -2.821 -16.910 -9.320 1.00 0.00 H new ATOM 0 HA LYS A 10 -0.406 -15.456 -8.441 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -0.384 -17.965 -8.645 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -0.770 -17.808 -10.347 1.00 0.00 H new ATOM 0 HG2 LYS A 10 1.302 -16.409 -10.675 1.00 0.00 H new ATOM 0 HG3 LYS A 10 1.693 -16.603 -8.978 1.00 0.00 H new ATOM 0 HD2 LYS A 10 1.247 -19.016 -10.789 1.00 0.00 H new ATOM 0 HD3 LYS A 10 2.816 -18.244 -10.671 1.00 0.00 H new ATOM 0 HE2 LYS A 10 2.642 -18.537 -8.109 1.00 0.00 H new ATOM 0 HE3 LYS A 10 1.230 -19.535 -8.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 3.240 -20.877 -8.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 2.573 -20.977 -9.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 3.941 -20.011 -9.546 1.00 0.00 H new ATOM 168 N ILE A 11 -0.085 -14.086 -10.474 1.00 0.00 N ATOM 169 CA ILE A 11 0.022 -13.182 -11.612 1.00 0.00 C ATOM 170 C ILE A 11 0.912 -13.786 -12.690 1.00 0.00 C ATOM 171 O ILE A 11 2.056 -14.158 -12.426 1.00 0.00 O ATOM 172 CB ILE A 11 0.621 -11.846 -11.161 1.00 0.00 C ATOM 173 CG1 ILE A 11 -0.087 -11.371 -9.894 1.00 0.00 C ATOM 174 CG2 ILE A 11 0.418 -10.801 -12.258 1.00 0.00 C ATOM 175 CD1 ILE A 11 0.618 -10.132 -9.340 1.00 0.00 C ATOM 0 H ILE A 11 0.529 -13.858 -9.692 1.00 0.00 H new ATOM 0 HA ILE A 11 -0.976 -13.022 -12.019 1.00 0.00 H new ATOM 0 HB ILE A 11 1.685 -11.978 -10.964 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -1.129 -11.140 -10.114 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -0.087 -12.165 -9.147 1.00 0.00 H new ATOM 0 HG21 ILE A 11 0.844 -9.850 -11.938 1.00 0.00 H new ATOM 0 HG22 ILE A 11 0.913 -11.131 -13.171 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.648 -10.675 -12.448 1.00 0.00 H new ATOM 0 HD11 ILE A 11 0.109 -9.797 -8.436 1.00 0.00 H new ATOM 0 HD12 ILE A 11 1.653 -10.378 -9.103 1.00 0.00 H new ATOM 0 HD13 ILE A 11 0.595 -9.337 -10.085 1.00 0.00 H new ATOM 187 N THR A 12 0.385 -13.877 -13.909 1.00 0.00 N ATOM 188 CA THR A 12 1.144 -14.435 -15.029 1.00 0.00 C ATOM 189 C THR A 12 1.614 -13.322 -15.963 1.00 0.00 C ATOM 190 O THR A 12 2.798 -13.235 -16.291 1.00 0.00 O ATOM 191 CB THR A 12 0.270 -15.423 -15.807 1.00 0.00 C ATOM 192 OG1 THR A 12 -0.035 -16.535 -14.977 1.00 0.00 O ATOM 193 CG2 THR A 12 1.015 -15.901 -17.054 1.00 0.00 C ATOM 0 H THR A 12 -0.559 -13.574 -14.147 1.00 0.00 H new ATOM 0 HA THR A 12 2.017 -14.954 -14.633 1.00 0.00 H new ATOM 0 HB THR A 12 -0.654 -14.930 -16.110 1.00 0.00 H new ATOM 0 HG1 THR A 12 -0.457 -17.238 -15.514 1.00 0.00 H new ATOM 0 HG21 THR A 12 0.390 -16.604 -17.604 1.00 0.00 H new ATOM 0 HG22 THR A 12 1.246 -15.046 -17.690 1.00 0.00 H new ATOM 0 HG23 THR A 12 1.941 -16.394 -16.758 1.00 0.00 H new ATOM 201 N GLY A 13 0.681 -12.476 -16.387 1.00 0.00 N ATOM 202 CA GLY A 13 1.013 -11.373 -17.284 1.00 0.00 C ATOM 203 C GLY A 13 -0.243 -10.729 -17.855 1.00 0.00 C ATOM 204 O GLY A 13 -1.341 -11.270 -17.739 1.00 0.00 O ATOM 0 H GLY A 13 -0.304 -12.531 -16.127 1.00 0.00 H new ATOM 0 HA2 GLY A 13 1.595 -10.625 -16.745 1.00 0.00 H new ATOM 0 HA3 GLY A 13 1.639 -11.739 -18.098 1.00 0.00 H new ATOM 208 N PHE A 14 -0.077 -9.569 -18.478 1.00 0.00 N ATOM 209 CA PHE A 14 -1.207 -8.862 -19.073 1.00 0.00 C ATOM 210 C PHE A 14 -1.434 -9.344 -20.507 1.00 0.00 C ATOM 211 O PHE A 14 -0.489 -9.715 -21.202 1.00 0.00 O ATOM 212 CB PHE A 14 -0.942 -7.350 -19.064 1.00 0.00 C ATOM 213 CG PHE A 14 0.530 -7.100 -19.226 1.00 0.00 C ATOM 214 CD1 PHE A 14 1.370 -7.160 -18.112 1.00 0.00 C ATOM 215 CD2 PHE A 14 1.054 -6.805 -20.487 1.00 0.00 C ATOM 216 CE1 PHE A 14 2.741 -6.921 -18.256 1.00 0.00 C ATOM 217 CE2 PHE A 14 2.423 -6.564 -20.635 1.00 0.00 C ATOM 218 CZ PHE A 14 3.268 -6.622 -19.520 1.00 0.00 C ATOM 0 H PHE A 14 0.822 -9.099 -18.585 1.00 0.00 H new ATOM 0 HA PHE A 14 -2.102 -9.070 -18.486 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -1.495 -6.868 -19.870 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -1.296 -6.913 -18.130 1.00 0.00 H new ATOM 0 HD1 PHE A 14 0.961 -7.391 -17.139 1.00 0.00 H new ATOM 0 HD2 PHE A 14 0.402 -6.763 -21.347 1.00 0.00 H new ATOM 0 HE1 PHE A 14 3.392 -6.967 -17.395 1.00 0.00 H new ATOM 0 HE2 PHE A 14 2.829 -6.333 -21.609 1.00 0.00 H new ATOM 0 HZ PHE A 14 4.326 -6.436 -19.634 1.00 0.00 H new ATOM 228 N SER A 15 -2.690 -9.334 -20.940 1.00 0.00 N ATOM 229 CA SER A 15 -3.030 -9.769 -22.292 1.00 0.00 C ATOM 230 C SER A 15 -2.761 -8.657 -23.298 1.00 0.00 C ATOM 231 O SER A 15 -2.475 -7.525 -22.921 1.00 0.00 O ATOM 232 CB SER A 15 -4.503 -10.154 -22.358 1.00 0.00 C ATOM 233 OG SER A 15 -4.814 -10.595 -23.672 1.00 0.00 O ATOM 0 H SER A 15 -3.486 -9.031 -20.379 1.00 0.00 H new ATOM 0 HA SER A 15 -2.410 -10.631 -22.539 1.00 0.00 H new ATOM 0 HB2 SER A 15 -4.717 -10.943 -21.637 1.00 0.00 H new ATOM 0 HB3 SER A 15 -5.126 -9.300 -22.091 1.00 0.00 H new ATOM 0 HG SER A 15 -5.760 -10.845 -23.718 1.00 0.00 H new ATOM 239 N ARG A 16 -2.855 -8.987 -24.580 1.00 0.00 N ATOM 240 CA ARG A 16 -2.626 -8.004 -25.632 1.00 0.00 C ATOM 241 C ARG A 16 -3.725 -6.945 -25.617 1.00 0.00 C ATOM 242 O ARG A 16 -3.464 -5.760 -25.828 1.00 0.00 O ATOM 243 CB ARG A 16 -2.594 -8.698 -26.994 1.00 0.00 C ATOM 244 CG ARG A 16 -1.337 -9.565 -27.092 1.00 0.00 C ATOM 245 CD ARG A 16 -1.372 -10.367 -28.392 1.00 0.00 C ATOM 246 NE ARG A 16 -1.311 -9.473 -29.542 1.00 0.00 N ATOM 247 CZ ARG A 16 -1.472 -9.932 -30.778 1.00 0.00 C ATOM 248 NH1 ARG A 16 -1.691 -11.203 -30.979 1.00 0.00 N ATOM 249 NH2 ARG A 16 -1.411 -9.114 -31.792 1.00 0.00 N ATOM 0 H ARG A 16 -3.087 -9.922 -24.915 1.00 0.00 H new ATOM 0 HA ARG A 16 -1.667 -7.518 -25.453 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -3.485 -9.313 -27.122 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -2.601 -7.956 -27.793 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -0.446 -8.937 -27.063 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -1.280 -10.239 -26.238 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -0.534 -11.063 -28.420 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -2.284 -10.963 -28.435 1.00 0.00 H new ATOM 0 HE ARG A 16 -1.142 -8.478 -29.395 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -1.739 -11.844 -30.187 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -1.815 -11.555 -31.928 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -1.239 -8.121 -31.636 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -1.535 -9.468 -32.741 1.00 0.00 H new ATOM 263 N GLU A 17 -4.956 -7.382 -25.367 1.00 0.00 N ATOM 264 CA GLU A 17 -6.091 -6.471 -25.325 1.00 0.00 C ATOM 265 C GLU A 17 -5.957 -5.500 -24.165 1.00 0.00 C ATOM 266 O GLU A 17 -6.611 -4.459 -24.134 1.00 0.00 O ATOM 267 CB GLU A 17 -7.390 -7.265 -25.184 1.00 0.00 C ATOM 268 CG GLU A 17 -7.704 -7.987 -26.498 1.00 0.00 C ATOM 269 CD GLU A 17 -8.042 -6.973 -27.589 1.00 0.00 C ATOM 270 OE1 GLU A 17 -8.415 -5.865 -27.244 1.00 0.00 O ATOM 271 OE2 GLU A 17 -7.922 -7.322 -28.752 1.00 0.00 O ATOM 0 H GLU A 17 -5.191 -8.359 -25.191 1.00 0.00 H new ATOM 0 HA GLU A 17 -6.111 -5.903 -26.255 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -7.298 -7.989 -24.374 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -8.209 -6.595 -24.922 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -6.849 -8.590 -26.804 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -8.541 -8.671 -26.355 1.00 0.00 H new ATOM 278 N ILE A 18 -5.110 -5.849 -23.207 1.00 0.00 N ATOM 279 CA ILE A 18 -4.901 -5.002 -22.040 1.00 0.00 C ATOM 280 C ILE A 18 -4.821 -3.531 -22.444 1.00 0.00 C ATOM 281 O ILE A 18 -4.342 -3.201 -23.529 1.00 0.00 O ATOM 282 CB ILE A 18 -3.609 -5.406 -21.331 1.00 0.00 C ATOM 283 CG1 ILE A 18 -3.530 -4.707 -19.970 1.00 0.00 C ATOM 284 CG2 ILE A 18 -2.399 -5.001 -22.187 1.00 0.00 C ATOM 285 CD1 ILE A 18 -4.612 -5.242 -19.013 1.00 0.00 C ATOM 0 H ILE A 18 -4.559 -6.707 -23.214 1.00 0.00 H new ATOM 0 HA ILE A 18 -5.747 -5.134 -21.365 1.00 0.00 H new ATOM 0 HB ILE A 18 -3.602 -6.486 -21.185 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -2.544 -4.863 -19.533 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -3.654 -3.632 -20.101 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -1.480 -5.291 -21.678 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -2.452 -5.503 -23.153 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -2.405 -3.922 -22.338 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -4.535 -4.730 -18.054 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -5.598 -5.063 -19.442 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -4.470 -6.313 -18.865 1.00 0.00 H new ATOM 297 N SER A 19 -5.294 -2.656 -21.565 1.00 0.00 N ATOM 298 CA SER A 19 -5.269 -1.227 -21.845 1.00 0.00 C ATOM 299 C SER A 19 -3.855 -0.674 -21.655 1.00 0.00 C ATOM 300 O SER A 19 -3.037 -1.265 -20.947 1.00 0.00 O ATOM 301 CB SER A 19 -6.250 -0.491 -20.915 1.00 0.00 C ATOM 302 OG SER A 19 -5.636 0.684 -20.393 1.00 0.00 O ATOM 0 H SER A 19 -5.695 -2.908 -20.662 1.00 0.00 H new ATOM 0 HA SER A 19 -5.572 -1.068 -22.880 1.00 0.00 H new ATOM 0 HB2 SER A 19 -7.154 -0.226 -21.463 1.00 0.00 H new ATOM 0 HB3 SER A 19 -6.552 -1.147 -20.099 1.00 0.00 H new ATOM 0 HG SER A 19 -6.266 1.148 -19.803 1.00 0.00 H new ATOM 308 N PRO A 20 -3.562 0.446 -22.267 1.00 0.00 N ATOM 309 CA PRO A 20 -2.222 1.097 -22.159 1.00 0.00 C ATOM 310 C PRO A 20 -1.938 1.589 -20.739 1.00 0.00 C ATOM 311 O PRO A 20 -0.794 1.596 -20.292 1.00 0.00 O ATOM 312 CB PRO A 20 -2.308 2.273 -23.153 1.00 0.00 C ATOM 313 CG PRO A 20 -3.771 2.557 -23.293 1.00 0.00 C ATOM 314 CD PRO A 20 -4.477 1.215 -23.126 1.00 0.00 C ATOM 0 HA PRO A 20 -1.407 0.409 -22.384 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -1.771 3.145 -22.780 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -1.863 2.011 -24.113 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -4.104 3.270 -22.539 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -3.992 2.996 -24.266 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -5.457 1.333 -22.664 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -4.634 0.723 -24.086 1.00 0.00 H new ATOM 322 N ALA A 21 -2.985 2.000 -20.036 1.00 0.00 N ATOM 323 CA ALA A 21 -2.819 2.498 -18.678 1.00 0.00 C ATOM 324 C ALA A 21 -2.258 1.412 -17.762 1.00 0.00 C ATOM 325 O ALA A 21 -1.202 1.582 -17.147 1.00 0.00 O ATOM 326 CB ALA A 21 -4.169 2.980 -18.137 1.00 0.00 C ATOM 0 H ALA A 21 -3.946 1.999 -20.378 1.00 0.00 H new ATOM 0 HA ALA A 21 -2.113 3.328 -18.701 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -4.042 3.352 -17.120 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.550 3.780 -18.771 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -4.877 2.151 -18.134 1.00 0.00 H new ATOM 332 N TYR A 22 -2.966 0.293 -17.684 1.00 0.00 N ATOM 333 CA TYR A 22 -2.534 -0.812 -16.839 1.00 0.00 C ATOM 334 C TYR A 22 -1.171 -1.331 -17.299 1.00 0.00 C ATOM 335 O TYR A 22 -0.265 -1.571 -16.495 1.00 0.00 O ATOM 336 CB TYR A 22 -3.570 -1.938 -16.893 1.00 0.00 C ATOM 337 CG TYR A 22 -3.126 -3.067 -15.998 1.00 0.00 C ATOM 338 CD1 TYR A 22 -2.268 -4.052 -16.495 1.00 0.00 C ATOM 339 CD2 TYR A 22 -3.577 -3.132 -14.669 1.00 0.00 C ATOM 340 CE1 TYR A 22 -1.858 -5.102 -15.670 1.00 0.00 C ATOM 341 CE2 TYR A 22 -3.165 -4.182 -13.844 1.00 0.00 C ATOM 342 CZ TYR A 22 -2.308 -5.170 -14.343 1.00 0.00 C ATOM 343 OH TYR A 22 -1.901 -6.206 -13.526 1.00 0.00 O ATOM 0 H TYR A 22 -3.835 0.127 -18.191 1.00 0.00 H new ATOM 0 HA TYR A 22 -2.442 -0.458 -15.812 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -4.544 -1.567 -16.574 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -3.684 -2.294 -17.917 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -1.922 -4.001 -17.517 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -4.241 -2.372 -14.286 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -1.194 -5.862 -16.054 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -3.508 -4.231 -12.821 1.00 0.00 H new ATOM 0 HH TYR A 22 -2.304 -6.101 -12.639 1.00 0.00 H new ATOM 353 N ARG A 23 -1.026 -1.502 -18.599 1.00 0.00 N ATOM 354 CA ARG A 23 0.226 -1.998 -19.142 1.00 0.00 C ATOM 355 C ARG A 23 1.383 -1.095 -18.711 1.00 0.00 C ATOM 356 O ARG A 23 2.455 -1.573 -18.323 1.00 0.00 O ATOM 357 CB ARG A 23 0.146 -2.039 -20.665 1.00 0.00 C ATOM 358 CG ARG A 23 1.362 -2.782 -21.221 1.00 0.00 C ATOM 359 CD ARG A 23 1.379 -2.668 -22.746 1.00 0.00 C ATOM 360 NE ARG A 23 0.205 -3.315 -23.317 1.00 0.00 N ATOM 361 CZ ARG A 23 -0.103 -3.168 -24.603 1.00 0.00 C ATOM 362 NH1 ARG A 23 0.648 -2.432 -25.375 1.00 0.00 N ATOM 363 NH2 ARG A 23 -1.160 -3.757 -25.092 1.00 0.00 N ATOM 0 H ARG A 23 -1.749 -1.308 -19.292 1.00 0.00 H new ATOM 0 HA ARG A 23 0.402 -3.004 -18.761 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -0.772 -2.537 -20.978 1.00 0.00 H new ATOM 0 HB3 ARG A 23 0.112 -1.026 -21.065 1.00 0.00 H new ATOM 0 HG2 ARG A 23 2.278 -2.364 -20.805 1.00 0.00 H new ATOM 0 HG3 ARG A 23 1.327 -3.830 -20.925 1.00 0.00 H new ATOM 0 HD2 ARG A 23 1.402 -1.618 -23.038 1.00 0.00 H new ATOM 0 HD3 ARG A 23 2.284 -3.129 -23.141 1.00 0.00 H new ATOM 0 HE ARG A 23 -0.390 -3.890 -22.721 1.00 0.00 H new ATOM 0 HH11 ARG A 23 1.472 -1.968 -24.993 1.00 0.00 H new ATOM 0 HH12 ARG A 23 0.411 -2.320 -26.361 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -1.750 -4.330 -24.488 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -1.396 -3.644 -26.078 1.00 0.00 H new ATOM 377 N GLN A 24 1.154 0.213 -18.772 1.00 0.00 N ATOM 378 CA GLN A 24 2.173 1.177 -18.376 1.00 0.00 C ATOM 379 C GLN A 24 2.521 1.007 -16.906 1.00 0.00 C ATOM 380 O GLN A 24 3.680 1.143 -16.524 1.00 0.00 O ATOM 381 CB GLN A 24 1.687 2.611 -18.635 1.00 0.00 C ATOM 382 CG GLN A 24 1.908 2.979 -20.102 1.00 0.00 C ATOM 383 CD GLN A 24 1.393 4.390 -20.362 1.00 0.00 C ATOM 384 OE1 GLN A 24 0.185 4.629 -20.336 1.00 0.00 O ATOM 385 NE2 GLN A 24 2.248 5.346 -20.595 1.00 0.00 N ATOM 0 H GLN A 24 0.278 0.627 -19.090 1.00 0.00 H new ATOM 0 HA GLN A 24 3.066 0.995 -18.974 1.00 0.00 H new ATOM 0 HB2 GLN A 24 0.629 2.696 -18.385 1.00 0.00 H new ATOM 0 HB3 GLN A 24 2.224 3.308 -17.991 1.00 0.00 H new ATOM 0 HG2 GLN A 24 2.969 2.918 -20.346 1.00 0.00 H new ATOM 0 HG3 GLN A 24 1.391 2.268 -20.747 1.00 0.00 H new ATOM 0 HE21 GLN A 24 3.247 5.143 -20.615 1.00 0.00 H new ATOM 0 HE22 GLN A 24 1.918 6.297 -20.757 1.00 0.00 H new ATOM 394 N LYS A 25 1.522 0.704 -16.086 1.00 0.00 N ATOM 395 CA LYS A 25 1.771 0.518 -14.664 1.00 0.00 C ATOM 396 C LYS A 25 2.781 -0.597 -14.460 1.00 0.00 C ATOM 397 O LYS A 25 3.700 -0.475 -13.649 1.00 0.00 O ATOM 398 CB LYS A 25 0.467 0.186 -13.932 1.00 0.00 C ATOM 399 CG LYS A 25 -0.421 1.428 -13.901 1.00 0.00 C ATOM 400 CD LYS A 25 -1.716 1.108 -13.158 1.00 0.00 C ATOM 401 CE LYS A 25 -2.608 2.347 -13.134 1.00 0.00 C ATOM 402 NZ LYS A 25 -3.872 2.034 -12.409 1.00 0.00 N ATOM 0 H LYS A 25 0.551 0.584 -16.374 1.00 0.00 H new ATOM 0 HA LYS A 25 2.173 1.444 -14.254 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -0.049 -0.632 -14.435 1.00 0.00 H new ATOM 0 HB3 LYS A 25 0.681 -0.148 -12.917 1.00 0.00 H new ATOM 0 HG2 LYS A 25 0.100 2.249 -13.409 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.643 1.755 -14.917 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -2.234 0.283 -13.647 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -1.494 0.787 -12.140 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -2.090 3.172 -12.645 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -2.830 2.669 -14.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -4.480 2.877 -12.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -4.368 1.259 -12.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -3.651 1.747 -11.434 1.00 0.00 H new ATOM 416 N LEU A 26 2.614 -1.685 -15.203 1.00 0.00 N ATOM 417 CA LEU A 26 3.537 -2.812 -15.088 1.00 0.00 C ATOM 418 C LEU A 26 4.931 -2.409 -15.540 1.00 0.00 C ATOM 419 O LEU A 26 5.932 -2.778 -14.928 1.00 0.00 O ATOM 420 CB LEU A 26 3.031 -4.002 -15.924 1.00 0.00 C ATOM 421 CG LEU A 26 2.074 -4.867 -15.095 1.00 0.00 C ATOM 422 CD1 LEU A 26 2.815 -5.498 -13.889 1.00 0.00 C ATOM 423 CD2 LEU A 26 0.904 -4.007 -14.612 1.00 0.00 C ATOM 0 H LEU A 26 1.862 -1.812 -15.881 1.00 0.00 H new ATOM 0 HA LEU A 26 3.586 -3.112 -14.041 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.522 -3.638 -16.816 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.875 -4.603 -16.261 1.00 0.00 H new ATOM 0 HG LEU A 26 1.694 -5.677 -15.718 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.119 -6.108 -13.313 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.632 -6.123 -14.250 1.00 0.00 H new ATOM 0 HD13 LEU A 26 3.216 -4.708 -13.254 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.222 -4.619 -14.022 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.282 -3.190 -13.997 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.374 -3.598 -15.472 1.00 0.00 H new ATOM 435 N LEU A 27 4.990 -1.660 -16.619 1.00 0.00 N ATOM 436 CA LEU A 27 6.267 -1.220 -17.151 1.00 0.00 C ATOM 437 C LEU A 27 6.818 -0.042 -16.357 1.00 0.00 C ATOM 438 O LEU A 27 8.027 0.182 -16.319 1.00 0.00 O ATOM 439 CB LEU A 27 6.104 -0.821 -18.613 1.00 0.00 C ATOM 440 CG LEU A 27 7.469 -0.351 -19.193 1.00 0.00 C ATOM 441 CD1 LEU A 27 7.678 -0.934 -20.593 1.00 0.00 C ATOM 442 CD2 LEU A 27 7.505 1.186 -19.279 1.00 0.00 C ATOM 0 H LEU A 27 4.176 -1.343 -17.145 1.00 0.00 H new ATOM 0 HA LEU A 27 6.973 -2.047 -17.070 1.00 0.00 H new ATOM 0 HB2 LEU A 27 5.727 -1.666 -19.189 1.00 0.00 H new ATOM 0 HB3 LEU A 27 5.368 -0.022 -18.700 1.00 0.00 H new ATOM 0 HG LEU A 27 8.263 -0.700 -18.532 1.00 0.00 H new ATOM 0 HD11 LEU A 27 8.637 -0.598 -20.988 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.670 -2.023 -20.539 1.00 0.00 H new ATOM 0 HD13 LEU A 27 6.877 -0.597 -21.251 1.00 0.00 H new ATOM 0 HD21 LEU A 27 8.464 1.505 -19.686 1.00 0.00 H new ATOM 0 HD22 LEU A 27 6.702 1.533 -19.929 1.00 0.00 H new ATOM 0 HD23 LEU A 27 7.375 1.609 -18.283 1.00 0.00 H new ATOM 454 N SER A 28 5.922 0.714 -15.740 1.00 0.00 N ATOM 455 CA SER A 28 6.325 1.884 -14.966 1.00 0.00 C ATOM 456 C SER A 28 7.236 1.494 -13.808 1.00 0.00 C ATOM 457 O SER A 28 8.259 2.136 -13.566 1.00 0.00 O ATOM 458 CB SER A 28 5.087 2.588 -14.416 1.00 0.00 C ATOM 459 OG SER A 28 5.484 3.547 -13.444 1.00 0.00 O ATOM 0 H SER A 28 4.917 0.542 -15.758 1.00 0.00 H new ATOM 0 HA SER A 28 6.874 2.553 -15.628 1.00 0.00 H new ATOM 0 HB2 SER A 28 4.543 3.077 -15.225 1.00 0.00 H new ATOM 0 HB3 SER A 28 4.409 1.860 -13.970 1.00 0.00 H new ATOM 0 HG SER A 28 4.691 4.002 -13.090 1.00 0.00 H new ATOM 465 N LEU A 29 6.855 0.441 -13.096 1.00 0.00 N ATOM 466 CA LEU A 29 7.630 -0.045 -11.950 1.00 0.00 C ATOM 467 C LEU A 29 8.244 -1.411 -12.267 1.00 0.00 C ATOM 468 O LEU A 29 7.915 -2.037 -13.274 1.00 0.00 O ATOM 469 CB LEU A 29 6.722 -0.146 -10.708 1.00 0.00 C ATOM 470 CG LEU A 29 5.293 -0.499 -11.137 1.00 0.00 C ATOM 471 CD1 LEU A 29 5.301 -1.817 -11.923 1.00 0.00 C ATOM 472 CD2 LEU A 29 4.422 -0.655 -9.891 1.00 0.00 C ATOM 0 H LEU A 29 6.011 -0.098 -13.289 1.00 0.00 H new ATOM 0 HA LEU A 29 8.436 0.660 -11.744 1.00 0.00 H new ATOM 0 HB2 LEU A 29 7.105 -0.906 -10.027 1.00 0.00 H new ATOM 0 HB3 LEU A 29 6.726 0.799 -10.166 1.00 0.00 H new ATOM 0 HG LEU A 29 4.894 0.294 -11.770 1.00 0.00 H new ATOM 0 HD11 LEU A 29 4.284 -2.066 -12.227 1.00 0.00 H new ATOM 0 HD12 LEU A 29 5.928 -1.709 -12.808 1.00 0.00 H new ATOM 0 HD13 LEU A 29 5.697 -2.614 -11.293 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.404 -0.906 -10.188 1.00 0.00 H new ATOM 0 HD22 LEU A 29 4.824 -1.451 -9.264 1.00 0.00 H new ATOM 0 HD23 LEU A 29 4.416 0.280 -9.332 1.00 0.00 H new ATOM 484 N GLY A 30 9.145 -1.854 -11.399 1.00 0.00 N ATOM 485 CA GLY A 30 9.821 -3.138 -11.578 1.00 0.00 C ATOM 486 C GLY A 30 9.054 -4.255 -10.882 1.00 0.00 C ATOM 487 O GLY A 30 9.647 -5.137 -10.261 1.00 0.00 O ATOM 0 H GLY A 30 9.427 -1.344 -10.562 1.00 0.00 H new ATOM 0 HA2 GLY A 30 9.912 -3.361 -12.641 1.00 0.00 H new ATOM 0 HA3 GLY A 30 10.833 -3.081 -11.176 1.00 0.00 H new ATOM 491 N MET A 31 7.730 -4.212 -10.990 1.00 0.00 N ATOM 492 CA MET A 31 6.873 -5.227 -10.363 1.00 0.00 C ATOM 493 C MET A 31 6.268 -6.117 -11.429 1.00 0.00 C ATOM 494 O MET A 31 5.075 -6.039 -11.723 1.00 0.00 O ATOM 495 CB MET A 31 5.742 -4.558 -9.573 1.00 0.00 C ATOM 496 CG MET A 31 5.079 -5.592 -8.666 1.00 0.00 C ATOM 497 SD MET A 31 3.708 -4.818 -7.773 1.00 0.00 S ATOM 498 CE MET A 31 2.431 -5.110 -9.022 1.00 0.00 C ATOM 0 H MET A 31 7.223 -3.490 -11.503 1.00 0.00 H new ATOM 0 HA MET A 31 7.484 -5.822 -9.684 1.00 0.00 H new ATOM 0 HB2 MET A 31 6.137 -3.735 -8.977 1.00 0.00 H new ATOM 0 HB3 MET A 31 5.007 -4.133 -10.257 1.00 0.00 H new ATOM 0 HG2 MET A 31 4.714 -6.431 -9.259 1.00 0.00 H new ATOM 0 HG3 MET A 31 5.807 -5.993 -7.960 1.00 0.00 H new ATOM 0 HE1 MET A 31 1.481 -4.705 -8.673 1.00 0.00 H new ATOM 0 HE2 MET A 31 2.714 -4.620 -9.953 1.00 0.00 H new ATOM 0 HE3 MET A 31 2.328 -6.182 -9.193 1.00 0.00 H new ATOM 508 N LEU A 32 7.102 -6.963 -12.011 1.00 0.00 N ATOM 509 CA LEU A 32 6.646 -7.859 -13.060 1.00 0.00 C ATOM 510 C LEU A 32 5.996 -9.103 -12.458 1.00 0.00 C ATOM 511 O LEU A 32 6.338 -9.504 -11.342 1.00 0.00 O ATOM 512 CB LEU A 32 7.833 -8.252 -13.955 1.00 0.00 C ATOM 513 CG LEU A 32 8.155 -7.130 -14.956 1.00 0.00 C ATOM 514 CD1 LEU A 32 7.092 -7.054 -16.071 1.00 0.00 C ATOM 515 CD2 LEU A 32 8.232 -5.793 -14.211 1.00 0.00 C ATOM 0 H LEU A 32 8.091 -7.048 -11.777 1.00 0.00 H new ATOM 0 HA LEU A 32 5.898 -7.346 -13.665 1.00 0.00 H new ATOM 0 HB2 LEU A 32 8.708 -8.457 -13.338 1.00 0.00 H new ATOM 0 HB3 LEU A 32 7.600 -9.171 -14.494 1.00 0.00 H new ATOM 0 HG LEU A 32 9.115 -7.347 -15.425 1.00 0.00 H new ATOM 0 HD11 LEU A 32 7.347 -6.251 -16.763 1.00 0.00 H new ATOM 0 HD12 LEU A 32 7.061 -8.001 -16.609 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.115 -6.856 -15.630 1.00 0.00 H new ATOM 0 HD21 LEU A 32 8.460 -4.995 -14.918 1.00 0.00 H new ATOM 0 HD22 LEU A 32 7.275 -5.589 -13.730 1.00 0.00 H new ATOM 0 HD23 LEU A 32 9.015 -5.843 -13.455 1.00 0.00 H new ATOM 527 N PRO A 33 5.069 -9.707 -13.169 1.00 0.00 N ATOM 528 CA PRO A 33 4.366 -10.922 -12.693 1.00 0.00 C ATOM 529 C PRO A 33 5.318 -11.908 -12.024 1.00 0.00 C ATOM 530 O PRO A 33 6.532 -11.708 -12.005 1.00 0.00 O ATOM 531 CB PRO A 33 3.769 -11.526 -13.972 1.00 0.00 C ATOM 532 CG PRO A 33 3.571 -10.372 -14.901 1.00 0.00 C ATOM 533 CD PRO A 33 4.584 -9.294 -14.504 1.00 0.00 C ATOM 0 HA PRO A 33 3.616 -10.689 -11.937 1.00 0.00 H new ATOM 0 HB2 PRO A 33 4.439 -12.269 -14.405 1.00 0.00 H new ATOM 0 HB3 PRO A 33 2.825 -12.030 -13.765 1.00 0.00 H new ATOM 0 HG2 PRO A 33 3.722 -10.680 -15.936 1.00 0.00 H new ATOM 0 HG3 PRO A 33 2.553 -9.989 -14.828 1.00 0.00 H new ATOM 0 HD2 PRO A 33 5.402 -9.236 -15.222 1.00 0.00 H new ATOM 0 HD3 PRO A 33 4.120 -8.308 -14.469 1.00 0.00 H new ATOM 541 N GLY A 34 4.754 -12.983 -11.486 1.00 0.00 N ATOM 542 CA GLY A 34 5.545 -14.011 -10.818 1.00 0.00 C ATOM 543 C GLY A 34 5.129 -14.151 -9.358 1.00 0.00 C ATOM 544 O GLY A 34 5.366 -15.183 -8.731 1.00 0.00 O ATOM 0 H GLY A 34 3.751 -13.166 -11.499 1.00 0.00 H new ATOM 0 HA2 GLY A 34 5.417 -14.965 -11.330 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.603 -13.757 -10.876 1.00 0.00 H new ATOM 548 N SER A 35 4.499 -13.106 -8.821 1.00 0.00 N ATOM 549 CA SER A 35 4.039 -13.120 -7.431 1.00 0.00 C ATOM 550 C SER A 35 2.561 -13.485 -7.372 1.00 0.00 C ATOM 551 O SER A 35 1.954 -13.816 -8.391 1.00 0.00 O ATOM 552 CB SER A 35 4.252 -11.750 -6.790 1.00 0.00 C ATOM 553 OG SER A 35 5.642 -11.549 -6.573 1.00 0.00 O ATOM 0 H SER A 35 4.296 -12.242 -9.324 1.00 0.00 H new ATOM 0 HA SER A 35 4.616 -13.865 -6.883 1.00 0.00 H new ATOM 0 HB2 SER A 35 3.855 -10.967 -7.436 1.00 0.00 H new ATOM 0 HB3 SER A 35 3.711 -11.689 -5.846 1.00 0.00 H new ATOM 0 HG SER A 35 5.785 -10.670 -6.163 1.00 0.00 H new ATOM 559 N SER A 36 1.986 -13.422 -6.174 1.00 0.00 N ATOM 560 CA SER A 36 0.572 -13.747 -5.984 1.00 0.00 C ATOM 561 C SER A 36 -0.103 -12.688 -5.126 1.00 0.00 C ATOM 562 O SER A 36 0.539 -12.048 -4.293 1.00 0.00 O ATOM 563 CB SER A 36 0.437 -15.112 -5.311 1.00 0.00 C ATOM 564 OG SER A 36 0.921 -16.117 -6.192 1.00 0.00 O ATOM 0 H SER A 36 2.475 -13.150 -5.321 1.00 0.00 H new ATOM 0 HA SER A 36 0.088 -13.775 -6.960 1.00 0.00 H new ATOM 0 HB2 SER A 36 1.000 -15.128 -4.378 1.00 0.00 H new ATOM 0 HB3 SER A 36 -0.606 -15.305 -5.058 1.00 0.00 H new ATOM 0 HG SER A 36 0.838 -16.995 -5.764 1.00 0.00 H new ATOM 570 N PHE A 37 -1.404 -12.506 -5.336 1.00 0.00 N ATOM 571 CA PHE A 37 -2.170 -11.519 -4.580 1.00 0.00 C ATOM 572 C PHE A 37 -3.470 -12.136 -4.080 1.00 0.00 C ATOM 573 O PHE A 37 -3.974 -13.102 -4.660 1.00 0.00 O ATOM 574 CB PHE A 37 -2.486 -10.311 -5.464 1.00 0.00 C ATOM 575 CG PHE A 37 -3.397 -10.724 -6.591 1.00 0.00 C ATOM 576 CD1 PHE A 37 -4.781 -10.668 -6.416 1.00 0.00 C ATOM 577 CD2 PHE A 37 -2.862 -11.161 -7.808 1.00 0.00 C ATOM 578 CE1 PHE A 37 -5.634 -11.051 -7.459 1.00 0.00 C ATOM 579 CE2 PHE A 37 -3.711 -11.545 -8.849 1.00 0.00 C ATOM 580 CZ PHE A 37 -5.097 -11.489 -8.675 1.00 0.00 C ATOM 0 H PHE A 37 -1.949 -13.028 -6.022 1.00 0.00 H new ATOM 0 HA PHE A 37 -1.574 -11.195 -3.726 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -2.959 -9.529 -4.870 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -1.563 -9.892 -5.866 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -5.194 -10.330 -5.477 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -1.791 -11.201 -7.943 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -6.705 -11.008 -7.325 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -3.297 -11.885 -9.787 1.00 0.00 H new ATOM 0 HZ PHE A 37 -5.754 -11.784 -9.480 1.00 0.00 H new ATOM 590 N ASN A 38 -4.004 -11.576 -2.996 1.00 0.00 N ATOM 591 CA ASN A 38 -5.247 -12.071 -2.403 1.00 0.00 C ATOM 592 C ASN A 38 -6.387 -11.085 -2.638 1.00 0.00 C ATOM 593 O ASN A 38 -6.190 -9.862 -2.642 1.00 0.00 O ATOM 594 CB ASN A 38 -5.059 -12.283 -0.902 1.00 0.00 C ATOM 595 CG ASN A 38 -4.560 -10.999 -0.251 1.00 0.00 C ATOM 596 OD1 ASN A 38 -3.426 -10.583 -0.484 1.00 0.00 O ATOM 597 ND2 ASN A 38 -5.347 -10.341 0.554 1.00 0.00 N ATOM 0 H ASN A 38 -3.595 -10.778 -2.509 1.00 0.00 H new ATOM 0 HA ASN A 38 -5.499 -13.019 -2.878 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -6.002 -12.587 -0.449 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -4.347 -13.089 -0.727 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -5.023 -9.479 0.992 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -6.287 -10.688 0.745 1.00 0.00 H new ATOM 604 N VAL A 39 -7.588 -11.624 -2.834 1.00 0.00 N ATOM 605 CA VAL A 39 -8.756 -10.791 -3.071 1.00 0.00 C ATOM 606 C VAL A 39 -9.421 -10.431 -1.750 1.00 0.00 C ATOM 607 O VAL A 39 -9.767 -11.307 -0.959 1.00 0.00 O ATOM 608 CB VAL A 39 -9.760 -11.534 -3.957 1.00 0.00 C ATOM 609 CG1 VAL A 39 -10.954 -10.622 -4.252 1.00 0.00 C ATOM 610 CG2 VAL A 39 -9.086 -11.939 -5.271 1.00 0.00 C ATOM 0 H VAL A 39 -7.774 -12.627 -2.833 1.00 0.00 H new ATOM 0 HA VAL A 39 -8.435 -9.879 -3.573 1.00 0.00 H new ATOM 0 HB VAL A 39 -10.106 -12.429 -3.440 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -11.669 -11.151 -4.883 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -11.436 -10.339 -3.316 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -10.609 -9.726 -4.768 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -9.803 -12.468 -5.900 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -8.736 -11.047 -5.791 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -8.239 -12.591 -5.059 1.00 0.00 H new ATOM 620 N VAL A 40 -9.595 -9.136 -1.518 1.00 0.00 N ATOM 621 CA VAL A 40 -10.224 -8.670 -0.290 1.00 0.00 C ATOM 622 C VAL A 40 -11.708 -9.031 -0.265 1.00 0.00 C ATOM 623 O VAL A 40 -12.238 -9.418 0.775 1.00 0.00 O ATOM 624 CB VAL A 40 -10.041 -7.147 -0.152 1.00 0.00 C ATOM 625 CG1 VAL A 40 -10.388 -6.449 -1.476 1.00 0.00 C ATOM 626 CG2 VAL A 40 -10.951 -6.612 0.965 1.00 0.00 C ATOM 0 H VAL A 40 -9.312 -8.395 -2.159 1.00 0.00 H new ATOM 0 HA VAL A 40 -9.743 -9.165 0.553 1.00 0.00 H new ATOM 0 HB VAL A 40 -9.000 -6.940 0.097 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -10.255 -5.373 -1.366 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -9.731 -6.817 -2.264 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -11.424 -6.661 -1.738 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -10.817 -5.534 1.058 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -11.991 -6.829 0.722 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -10.691 -7.093 1.908 1.00 0.00 H new ATOM 636 N ARG A 41 -12.363 -8.889 -1.413 1.00 0.00 N ATOM 637 CA ARG A 41 -13.787 -9.177 -1.518 1.00 0.00 C ATOM 638 C ARG A 41 -14.249 -9.003 -2.959 1.00 0.00 C ATOM 639 O ARG A 41 -13.541 -8.430 -3.787 1.00 0.00 O ATOM 640 CB ARG A 41 -14.578 -8.222 -0.613 1.00 0.00 C ATOM 641 CG ARG A 41 -14.452 -6.784 -1.132 1.00 0.00 C ATOM 642 CD ARG A 41 -15.095 -5.828 -0.126 1.00 0.00 C ATOM 643 NE ARG A 41 -15.090 -4.466 -0.653 1.00 0.00 N ATOM 644 CZ ARG A 41 -14.027 -3.680 -0.523 1.00 0.00 C ATOM 645 NH1 ARG A 41 -12.960 -4.121 0.084 1.00 0.00 N ATOM 646 NH2 ARG A 41 -14.050 -2.467 -1.005 1.00 0.00 N ATOM 0 H ARG A 41 -11.930 -8.577 -2.282 1.00 0.00 H new ATOM 0 HA ARG A 41 -13.962 -10.206 -1.205 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -15.627 -8.518 -0.587 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -14.204 -8.283 0.409 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -13.402 -6.527 -1.276 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -14.939 -6.691 -2.103 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -16.118 -6.142 0.083 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -14.552 -5.863 0.818 1.00 0.00 H new ATOM 0 HE ARG A 41 -15.919 -4.111 -1.130 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -12.942 -5.069 0.459 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -12.144 -3.517 0.184 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -14.884 -2.123 -1.481 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -13.234 -1.863 -0.905 1.00 0.00 H new ATOM 660 N VAL A 42 -15.450 -9.490 -3.250 1.00 0.00 N ATOM 661 CA VAL A 42 -16.019 -9.376 -4.592 1.00 0.00 C ATOM 662 C VAL A 42 -17.452 -8.881 -4.509 1.00 0.00 C ATOM 663 O VAL A 42 -18.298 -9.496 -3.859 1.00 0.00 O ATOM 664 CB VAL A 42 -15.975 -10.737 -5.292 1.00 0.00 C ATOM 665 CG1 VAL A 42 -14.515 -11.147 -5.492 1.00 0.00 C ATOM 666 CG2 VAL A 42 -16.691 -11.792 -4.436 1.00 0.00 C ATOM 0 H VAL A 42 -16.050 -9.967 -2.577 1.00 0.00 H new ATOM 0 HA VAL A 42 -15.432 -8.660 -5.167 1.00 0.00 H new ATOM 0 HB VAL A 42 -16.477 -10.665 -6.257 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -14.474 -12.116 -5.990 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -14.009 -10.402 -6.105 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -14.020 -11.216 -4.523 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -16.655 -12.757 -4.942 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -16.197 -11.871 -3.468 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -17.730 -11.498 -4.290 1.00 0.00 H new ATOM 676 N ALA A 43 -17.725 -7.758 -5.171 1.00 0.00 N ATOM 677 CA ALA A 43 -19.072 -7.196 -5.155 1.00 0.00 C ATOM 678 C ALA A 43 -19.878 -7.662 -6.390 1.00 0.00 C ATOM 679 O ALA A 43 -19.564 -7.268 -7.514 1.00 0.00 O ATOM 680 CB ALA A 43 -19.004 -5.667 -5.144 1.00 0.00 C ATOM 0 H ALA A 43 -17.044 -7.228 -5.716 1.00 0.00 H new ATOM 0 HA ALA A 43 -19.573 -7.547 -4.253 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -20.014 -5.258 -5.132 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -18.467 -5.333 -4.256 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -18.482 -5.320 -6.036 1.00 0.00 H new ATOM 686 N PRO A 44 -20.896 -8.475 -6.210 1.00 0.00 N ATOM 687 CA PRO A 44 -21.736 -8.978 -7.340 1.00 0.00 C ATOM 688 C PRO A 44 -22.700 -7.910 -7.857 1.00 0.00 C ATOM 689 O PRO A 44 -23.319 -8.074 -8.911 1.00 0.00 O ATOM 690 CB PRO A 44 -22.487 -10.173 -6.733 1.00 0.00 C ATOM 691 CG PRO A 44 -22.572 -9.882 -5.266 1.00 0.00 C ATOM 692 CD PRO A 44 -21.366 -9.006 -4.917 1.00 0.00 C ATOM 0 HA PRO A 44 -21.139 -9.253 -8.210 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -23.479 -10.278 -7.171 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -21.956 -11.107 -6.919 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -23.504 -9.369 -5.027 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -22.559 -10.806 -4.687 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -21.646 -8.201 -4.238 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -20.587 -9.585 -4.421 1.00 0.00 H new ATOM 700 N LEU A 45 -22.829 -6.828 -7.102 1.00 0.00 N ATOM 701 CA LEU A 45 -23.732 -5.748 -7.481 1.00 0.00 C ATOM 702 C LEU A 45 -23.315 -5.130 -8.811 1.00 0.00 C ATOM 703 O LEU A 45 -23.902 -4.143 -9.258 1.00 0.00 O ATOM 704 CB LEU A 45 -23.746 -4.670 -6.398 1.00 0.00 C ATOM 705 CG LEU A 45 -23.896 -5.327 -5.022 1.00 0.00 C ATOM 706 CD1 LEU A 45 -23.941 -4.245 -3.942 1.00 0.00 C ATOM 707 CD2 LEU A 45 -25.190 -6.155 -4.980 1.00 0.00 C ATOM 0 H LEU A 45 -22.324 -6.674 -6.229 1.00 0.00 H new ATOM 0 HA LEU A 45 -24.732 -6.167 -7.590 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -22.824 -4.089 -6.437 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -24.568 -3.976 -6.572 1.00 0.00 H new ATOM 0 HG LEU A 45 -23.045 -5.984 -4.841 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -24.048 -4.712 -2.963 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -23.018 -3.666 -3.969 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -24.789 -3.585 -4.123 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -25.293 -6.620 -4.000 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -26.045 -5.504 -5.164 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -25.152 -6.929 -5.747 1.00 0.00 H new ATOM 719 N GLY A 46 -22.301 -5.716 -9.440 1.00 0.00 N ATOM 720 CA GLY A 46 -21.811 -5.223 -10.720 1.00 0.00 C ATOM 721 C GLY A 46 -20.699 -4.208 -10.517 1.00 0.00 C ATOM 722 O GLY A 46 -20.466 -3.354 -11.371 1.00 0.00 O ATOM 0 H GLY A 46 -21.804 -6.532 -9.083 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -21.444 -6.056 -11.319 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -22.629 -4.766 -11.276 1.00 0.00 H new ATOM 726 N ASP A 47 -20.013 -4.300 -9.379 1.00 0.00 N ATOM 727 CA ASP A 47 -18.925 -3.373 -9.072 1.00 0.00 C ATOM 728 C ASP A 47 -17.583 -3.999 -9.454 1.00 0.00 C ATOM 729 O ASP A 47 -17.475 -5.217 -9.596 1.00 0.00 O ATOM 730 CB ASP A 47 -18.949 -3.021 -7.564 1.00 0.00 C ATOM 731 CG ASP A 47 -19.522 -1.620 -7.345 1.00 0.00 C ATOM 732 OD1 ASP A 47 -20.584 -1.350 -7.880 1.00 0.00 O ATOM 733 OD2 ASP A 47 -18.890 -0.844 -6.649 1.00 0.00 O ATOM 0 H ASP A 47 -20.189 -5.001 -8.659 1.00 0.00 H new ATOM 0 HA ASP A 47 -19.057 -2.457 -9.649 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -19.549 -3.753 -7.024 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -17.939 -3.074 -7.157 1.00 0.00 H new ATOM 738 N PRO A 48 -16.574 -3.183 -9.622 1.00 0.00 N ATOM 739 CA PRO A 48 -15.207 -3.653 -9.996 1.00 0.00 C ATOM 740 C PRO A 48 -14.648 -4.637 -8.973 1.00 0.00 C ATOM 741 O PRO A 48 -15.204 -4.804 -7.887 1.00 0.00 O ATOM 742 CB PRO A 48 -14.371 -2.356 -10.044 1.00 0.00 C ATOM 743 CG PRO A 48 -15.163 -1.344 -9.270 1.00 0.00 C ATOM 744 CD PRO A 48 -16.621 -1.715 -9.486 1.00 0.00 C ATOM 0 HA PRO A 48 -15.199 -4.195 -10.942 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -13.386 -2.506 -9.601 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -14.212 -2.029 -11.071 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -14.904 -1.370 -8.211 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -14.959 -0.333 -9.623 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -17.244 -1.407 -8.646 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -17.030 -1.240 -10.378 1.00 0.00 H new ATOM 752 N ILE A 49 -13.549 -5.301 -9.335 1.00 0.00 N ATOM 753 CA ILE A 49 -12.932 -6.276 -8.449 1.00 0.00 C ATOM 754 C ILE A 49 -11.898 -5.596 -7.563 1.00 0.00 C ATOM 755 O ILE A 49 -10.905 -5.048 -8.048 1.00 0.00 O ATOM 756 CB ILE A 49 -12.253 -7.360 -9.282 1.00 0.00 C ATOM 757 CG1 ILE A 49 -13.122 -7.660 -10.505 1.00 0.00 C ATOM 758 CG2 ILE A 49 -12.081 -8.631 -8.441 1.00 0.00 C ATOM 759 CD1 ILE A 49 -14.549 -8.020 -10.068 1.00 0.00 C ATOM 0 H ILE A 49 -13.075 -5.179 -10.230 1.00 0.00 H new ATOM 0 HA ILE A 49 -13.701 -6.723 -7.820 1.00 0.00 H new ATOM 0 HB ILE A 49 -11.270 -7.017 -9.604 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -13.144 -6.793 -11.165 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -12.690 -8.483 -11.074 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -11.596 -9.401 -9.041 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -11.466 -8.410 -7.569 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -13.058 -8.987 -8.115 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -15.157 -8.231 -10.948 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -14.522 -8.901 -9.426 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -14.983 -7.184 -9.519 1.00 0.00 H new ATOM 771 N HIS A 50 -12.132 -5.646 -6.258 1.00 0.00 N ATOM 772 CA HIS A 50 -11.214 -5.042 -5.296 1.00 0.00 C ATOM 773 C HIS A 50 -10.269 -6.095 -4.746 1.00 0.00 C ATOM 774 O HIS A 50 -10.703 -7.087 -4.163 1.00 0.00 O ATOM 775 CB HIS A 50 -11.997 -4.421 -4.139 1.00 0.00 C ATOM 776 CG HIS A 50 -12.762 -3.227 -4.638 1.00 0.00 C ATOM 777 ND1 HIS A 50 -12.960 -2.097 -3.859 1.00 0.00 N ATOM 778 CD2 HIS A 50 -13.377 -2.966 -5.838 1.00 0.00 C ATOM 779 CE1 HIS A 50 -13.666 -1.218 -4.592 1.00 0.00 C ATOM 780 NE2 HIS A 50 -13.946 -1.697 -5.805 1.00 0.00 N ATOM 0 H HIS A 50 -12.946 -6.097 -5.841 1.00 0.00 H new ATOM 0 HA HIS A 50 -10.641 -4.267 -5.805 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -12.682 -5.154 -3.714 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -11.315 -4.123 -3.342 1.00 0.00 H new ATOM 0 HD1 HIS A 50 -12.630 -1.958 -2.904 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -13.413 -3.643 -6.679 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -13.969 -0.243 -4.241 1.00 0.00 H new ATOM 788 N ILE A 51 -8.970 -5.871 -4.930 1.00 0.00 N ATOM 789 CA ILE A 51 -7.953 -6.802 -4.444 1.00 0.00 C ATOM 790 C ILE A 51 -6.974 -6.079 -3.533 1.00 0.00 C ATOM 791 O ILE A 51 -6.694 -4.893 -3.726 1.00 0.00 O ATOM 792 CB ILE A 51 -7.199 -7.432 -5.627 1.00 0.00 C ATOM 793 CG1 ILE A 51 -6.541 -6.338 -6.483 1.00 0.00 C ATOM 794 CG2 ILE A 51 -8.188 -8.216 -6.495 1.00 0.00 C ATOM 795 CD1 ILE A 51 -5.544 -6.969 -7.448 1.00 0.00 C ATOM 0 H ILE A 51 -8.596 -5.053 -5.412 1.00 0.00 H new ATOM 0 HA ILE A 51 -8.446 -7.593 -3.879 1.00 0.00 H new ATOM 0 HB ILE A 51 -6.427 -8.097 -5.240 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -7.302 -5.791 -7.039 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -6.034 -5.617 -5.842 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -7.658 -8.665 -7.335 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -8.653 -9.001 -5.898 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -8.958 -7.541 -6.870 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -5.080 -6.190 -8.053 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -4.775 -7.496 -6.883 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -6.063 -7.673 -8.099 1.00 0.00 H new ATOM 807 N GLU A 52 -6.452 -6.797 -2.542 1.00 0.00 N ATOM 808 CA GLU A 52 -5.498 -6.209 -1.600 1.00 0.00 C ATOM 809 C GLU A 52 -4.267 -7.091 -1.470 1.00 0.00 C ATOM 810 O GLU A 52 -4.380 -8.312 -1.348 1.00 0.00 O ATOM 811 CB GLU A 52 -6.154 -6.037 -0.229 1.00 0.00 C ATOM 812 CG GLU A 52 -7.212 -4.934 -0.304 1.00 0.00 C ATOM 813 CD GLU A 52 -7.901 -4.782 1.047 1.00 0.00 C ATOM 814 OE1 GLU A 52 -7.551 -5.520 1.953 1.00 0.00 O ATOM 815 OE2 GLU A 52 -8.768 -3.931 1.157 1.00 0.00 O ATOM 0 H GLU A 52 -6.670 -7.778 -2.369 1.00 0.00 H new ATOM 0 HA GLU A 52 -5.194 -5.233 -1.980 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -6.612 -6.974 0.087 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -5.401 -5.783 0.517 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -6.747 -3.991 -0.593 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -7.947 -5.175 -1.072 1.00 0.00 H new ATOM 822 N THR A 53 -3.089 -6.468 -1.495 1.00 0.00 N ATOM 823 CA THR A 53 -1.832 -7.205 -1.377 1.00 0.00 C ATOM 824 C THR A 53 -1.018 -6.659 -0.211 1.00 0.00 C ATOM 825 O THR A 53 -1.028 -5.459 0.061 1.00 0.00 O ATOM 826 CB THR A 53 -1.031 -7.079 -2.682 1.00 0.00 C ATOM 827 OG1 THR A 53 -0.256 -5.891 -2.640 1.00 0.00 O ATOM 828 CG2 THR A 53 -1.990 -7.016 -3.882 1.00 0.00 C ATOM 0 H THR A 53 -2.979 -5.459 -1.595 1.00 0.00 H new ATOM 0 HA THR A 53 -2.050 -8.257 -1.194 1.00 0.00 H new ATOM 0 HB THR A 53 -0.379 -7.946 -2.789 1.00 0.00 H new ATOM 0 HG1 THR A 53 -0.768 -5.153 -3.032 1.00 0.00 H new ATOM 0 HG21 THR A 53 -1.415 -6.927 -4.803 1.00 0.00 H new ATOM 0 HG22 THR A 53 -2.591 -7.925 -3.916 1.00 0.00 H new ATOM 0 HG23 THR A 53 -2.646 -6.152 -3.779 1.00 0.00 H new ATOM 836 N ARG A 54 -0.331 -7.560 0.480 1.00 0.00 N ATOM 837 CA ARG A 54 0.469 -7.183 1.637 1.00 0.00 C ATOM 838 C ARG A 54 1.454 -6.080 1.276 1.00 0.00 C ATOM 839 O ARG A 54 1.982 -5.396 2.152 1.00 0.00 O ATOM 840 CB ARG A 54 1.244 -8.395 2.149 1.00 0.00 C ATOM 841 CG ARG A 54 0.270 -9.538 2.429 1.00 0.00 C ATOM 842 CD ARG A 54 1.049 -10.768 2.905 1.00 0.00 C ATOM 843 NE ARG A 54 0.131 -11.869 3.186 1.00 0.00 N ATOM 844 CZ ARG A 54 -0.285 -12.684 2.221 1.00 0.00 C ATOM 845 NH1 ARG A 54 0.124 -12.504 0.995 1.00 0.00 N ATOM 846 NH2 ARG A 54 -1.103 -13.663 2.498 1.00 0.00 N ATOM 0 H ARG A 54 -0.312 -8.556 0.259 1.00 0.00 H new ATOM 0 HA ARG A 54 -0.205 -6.818 2.412 1.00 0.00 H new ATOM 0 HB2 ARG A 54 1.984 -8.705 1.411 1.00 0.00 H new ATOM 0 HB3 ARG A 54 1.788 -8.136 3.057 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -0.453 -9.236 3.187 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -0.294 -9.778 1.528 1.00 0.00 H new ATOM 0 HD2 ARG A 54 1.768 -11.070 2.143 1.00 0.00 H new ATOM 0 HD3 ARG A 54 1.619 -10.522 3.801 1.00 0.00 H new ATOM 0 HE ARG A 54 -0.197 -12.015 4.141 1.00 0.00 H new ATOM 0 HH11 ARG A 54 0.762 -11.739 0.777 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -0.195 -13.129 0.254 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -1.424 -13.804 3.456 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -1.421 -14.287 1.757 1.00 0.00 H new ATOM 860 N ARG A 55 1.704 -5.913 -0.020 1.00 0.00 N ATOM 861 CA ARG A 55 2.631 -4.887 -0.494 1.00 0.00 C ATOM 862 C ARG A 55 1.877 -3.638 -0.944 1.00 0.00 C ATOM 863 O ARG A 55 2.384 -2.523 -0.826 1.00 0.00 O ATOM 864 CB ARG A 55 3.456 -5.441 -1.656 1.00 0.00 C ATOM 865 CG ARG A 55 2.519 -5.952 -2.749 1.00 0.00 C ATOM 866 CD ARG A 55 3.340 -6.506 -3.912 1.00 0.00 C ATOM 867 NE ARG A 55 4.128 -5.442 -4.520 1.00 0.00 N ATOM 868 CZ ARG A 55 5.129 -5.717 -5.348 1.00 0.00 C ATOM 869 NH1 ARG A 55 5.416 -6.958 -5.633 1.00 0.00 N ATOM 870 NH2 ARG A 55 5.823 -4.748 -5.876 1.00 0.00 N ATOM 0 H ARG A 55 1.279 -6.473 -0.760 1.00 0.00 H new ATOM 0 HA ARG A 55 3.292 -4.610 0.327 1.00 0.00 H new ATOM 0 HB2 ARG A 55 4.108 -4.664 -2.055 1.00 0.00 H new ATOM 0 HB3 ARG A 55 4.099 -6.249 -1.307 1.00 0.00 H new ATOM 0 HG2 ARG A 55 1.867 -6.728 -2.349 1.00 0.00 H new ATOM 0 HG3 ARG A 55 1.876 -5.144 -3.097 1.00 0.00 H new ATOM 0 HD2 ARG A 55 3.998 -7.299 -3.557 1.00 0.00 H new ATOM 0 HD3 ARG A 55 2.678 -6.950 -4.656 1.00 0.00 H new ATOM 0 HE ARG A 55 3.907 -4.469 -4.306 1.00 0.00 H new ATOM 0 HH11 ARG A 55 4.872 -7.715 -5.220 1.00 0.00 H new ATOM 0 HH12 ARG A 55 6.185 -7.171 -6.269 1.00 0.00 H new ATOM 0 HH21 ARG A 55 5.597 -3.779 -5.653 1.00 0.00 H new ATOM 0 HH22 ARG A 55 6.592 -4.959 -6.512 1.00 0.00 H new ATOM 884 N VAL A 56 0.664 -3.828 -1.453 1.00 0.00 N ATOM 885 CA VAL A 56 -0.140 -2.698 -1.912 1.00 0.00 C ATOM 886 C VAL A 56 -1.562 -3.149 -2.221 1.00 0.00 C ATOM 887 O VAL A 56 -1.892 -4.329 -2.103 1.00 0.00 O ATOM 888 CB VAL A 56 0.496 -2.081 -3.172 1.00 0.00 C ATOM 889 CG1 VAL A 56 0.178 -2.946 -4.410 1.00 0.00 C ATOM 890 CG2 VAL A 56 -0.025 -0.646 -3.402 1.00 0.00 C ATOM 0 H VAL A 56 0.220 -4.740 -1.558 1.00 0.00 H new ATOM 0 HA VAL A 56 -0.173 -1.949 -1.121 1.00 0.00 H new ATOM 0 HB VAL A 56 1.575 -2.045 -3.022 1.00 0.00 H new ATOM 0 HG11 VAL A 56 0.633 -2.498 -5.293 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.577 -3.950 -4.265 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.902 -3.002 -4.547 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.438 -0.230 -4.297 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.107 -0.668 -3.530 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.226 -0.025 -2.542 1.00 0.00 H new ATOM 900 N SER A 57 -2.397 -2.204 -2.637 1.00 0.00 N ATOM 901 CA SER A 57 -3.780 -2.509 -2.993 1.00 0.00 C ATOM 902 C SER A 57 -4.079 -2.046 -4.410 1.00 0.00 C ATOM 903 O SER A 57 -3.420 -1.149 -4.935 1.00 0.00 O ATOM 904 CB SER A 57 -4.736 -1.826 -2.021 1.00 0.00 C ATOM 905 OG SER A 57 -4.637 -2.456 -0.751 1.00 0.00 O ATOM 0 H SER A 57 -2.142 -1.221 -2.736 1.00 0.00 H new ATOM 0 HA SER A 57 -3.919 -3.589 -2.936 1.00 0.00 H new ATOM 0 HB2 SER A 57 -4.492 -0.767 -1.935 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.759 -1.889 -2.393 1.00 0.00 H new ATOM 0 HG SER A 57 -5.248 -2.020 -0.121 1.00 0.00 H new ATOM 911 N LEU A 58 -5.077 -2.672 -5.027 1.00 0.00 N ATOM 912 CA LEU A 58 -5.456 -2.317 -6.392 1.00 0.00 C ATOM 913 C LEU A 58 -6.887 -2.761 -6.676 1.00 0.00 C ATOM 914 O LEU A 58 -7.371 -3.731 -6.098 1.00 0.00 O ATOM 915 CB LEU A 58 -4.501 -2.986 -7.391 1.00 0.00 C ATOM 916 CG LEU A 58 -4.874 -2.595 -8.833 1.00 0.00 C ATOM 917 CD1 LEU A 58 -4.746 -1.074 -9.029 1.00 0.00 C ATOM 918 CD2 LEU A 58 -3.939 -3.315 -9.809 1.00 0.00 C ATOM 0 H LEU A 58 -5.632 -3.419 -4.610 1.00 0.00 H new ATOM 0 HA LEU A 58 -5.392 -1.234 -6.501 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.475 -2.686 -7.180 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.546 -4.069 -7.278 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.907 -2.887 -9.023 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -5.013 -0.815 -10.054 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -5.415 -0.561 -8.339 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -3.718 -0.767 -8.834 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -4.199 -3.041 -10.831 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.908 -3.024 -9.607 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.043 -4.393 -9.684 1.00 0.00 H new ATOM 930 N VAL A 59 -7.560 -2.048 -7.578 1.00 0.00 N ATOM 931 CA VAL A 59 -8.932 -2.388 -7.951 1.00 0.00 C ATOM 932 C VAL A 59 -9.091 -2.310 -9.467 1.00 0.00 C ATOM 933 O VAL A 59 -8.769 -1.294 -10.082 1.00 0.00 O ATOM 934 CB VAL A 59 -9.915 -1.426 -7.287 1.00 0.00 C ATOM 935 CG1 VAL A 59 -9.523 0.021 -7.603 1.00 0.00 C ATOM 936 CG2 VAL A 59 -11.328 -1.699 -7.809 1.00 0.00 C ATOM 0 H VAL A 59 -7.180 -1.235 -8.062 1.00 0.00 H new ATOM 0 HA VAL A 59 -9.144 -3.403 -7.614 1.00 0.00 H new ATOM 0 HB VAL A 59 -9.889 -1.576 -6.208 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -10.228 0.701 -7.126 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -8.519 0.217 -7.226 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -9.542 0.176 -8.682 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -12.030 -1.013 -7.335 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -11.351 -1.554 -8.889 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -11.610 -2.725 -7.575 1.00 0.00 H new ATOM 946 N LEU A 60 -9.589 -3.392 -10.063 1.00 0.00 N ATOM 947 CA LEU A 60 -9.787 -3.447 -11.513 1.00 0.00 C ATOM 948 C LEU A 60 -11.184 -3.960 -11.842 1.00 0.00 C ATOM 949 O LEU A 60 -11.845 -4.565 -11.000 1.00 0.00 O ATOM 950 CB LEU A 60 -8.749 -4.371 -12.145 1.00 0.00 C ATOM 951 CG LEU A 60 -7.337 -3.925 -11.742 1.00 0.00 C ATOM 952 CD1 LEU A 60 -6.328 -5.010 -12.131 1.00 0.00 C ATOM 953 CD2 LEU A 60 -6.974 -2.612 -12.456 1.00 0.00 C ATOM 0 H LEU A 60 -9.862 -4.241 -9.567 1.00 0.00 H new ATOM 0 HA LEU A 60 -9.674 -2.440 -11.914 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -8.921 -5.398 -11.824 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -8.849 -4.355 -13.230 1.00 0.00 H new ATOM 0 HG LEU A 60 -7.309 -3.765 -10.664 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -5.325 -4.693 -11.845 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -6.576 -5.939 -11.617 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -6.364 -5.171 -13.208 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -5.970 -2.304 -12.163 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -7.007 -2.763 -13.535 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -7.687 -1.837 -12.177 1.00 0.00 H new ATOM 965 N ARG A 61 -11.624 -3.709 -13.073 1.00 0.00 N ATOM 966 CA ARG A 61 -12.945 -4.148 -13.507 1.00 0.00 C ATOM 967 C ARG A 61 -12.931 -5.636 -13.846 1.00 0.00 C ATOM 968 O ARG A 61 -11.904 -6.170 -14.255 1.00 0.00 O ATOM 969 CB ARG A 61 -13.391 -3.352 -14.728 1.00 0.00 C ATOM 970 CG ARG A 61 -13.685 -1.918 -14.302 1.00 0.00 C ATOM 971 CD ARG A 61 -14.195 -1.133 -15.498 1.00 0.00 C ATOM 972 NE ARG A 61 -13.118 -0.905 -16.457 1.00 0.00 N ATOM 973 CZ ARG A 61 -13.352 -0.331 -17.635 1.00 0.00 C ATOM 974 NH1 ARG A 61 -14.563 0.041 -17.955 1.00 0.00 N ATOM 975 NH2 ARG A 61 -12.370 -0.139 -18.473 1.00 0.00 N ATOM 0 H ARG A 61 -11.089 -3.208 -13.782 1.00 0.00 H new ATOM 0 HA ARG A 61 -13.646 -3.977 -12.690 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -12.614 -3.366 -15.492 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -14.280 -3.804 -15.169 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -14.427 -1.909 -13.503 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -12.783 -1.452 -13.905 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -15.008 -1.678 -15.978 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -14.603 -0.178 -15.167 1.00 0.00 H new ATOM 0 HE ARG A 61 -12.168 -1.191 -16.220 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -15.332 -0.108 -17.301 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -14.740 0.481 -18.858 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -11.424 -0.429 -18.225 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -12.549 0.301 -19.376 1.00 0.00 H new ATOM 989 N LYS A 62 -14.070 -6.299 -13.675 1.00 0.00 N ATOM 990 CA LYS A 62 -14.162 -7.730 -13.967 1.00 0.00 C ATOM 991 C LYS A 62 -13.483 -8.059 -15.297 1.00 0.00 C ATOM 992 O LYS A 62 -12.699 -9.011 -15.400 1.00 0.00 O ATOM 993 CB LYS A 62 -15.637 -8.145 -14.033 1.00 0.00 C ATOM 994 CG LYS A 62 -15.743 -9.647 -14.301 1.00 0.00 C ATOM 995 CD LYS A 62 -17.213 -10.059 -14.329 1.00 0.00 C ATOM 996 CE LYS A 62 -17.305 -11.562 -14.585 1.00 0.00 C ATOM 997 NZ LYS A 62 -18.737 -11.980 -14.589 1.00 0.00 N ATOM 0 H LYS A 62 -14.935 -5.876 -13.339 1.00 0.00 H new ATOM 0 HA LYS A 62 -13.655 -8.278 -13.173 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -16.136 -7.898 -13.096 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -16.145 -7.589 -14.821 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -15.268 -9.892 -15.251 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -15.214 -10.203 -13.527 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -17.692 -9.809 -13.382 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -17.742 -9.511 -15.109 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -16.841 -11.808 -15.540 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -16.758 -12.107 -13.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -18.799 -13.003 -14.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -19.166 -11.759 -13.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -19.246 -11.469 -15.339 1.00 0.00 H new ATOM 1011 N LYS A 63 -13.789 -7.271 -16.314 1.00 0.00 N ATOM 1012 CA LYS A 63 -13.208 -7.491 -17.629 1.00 0.00 C ATOM 1013 C LYS A 63 -11.689 -7.560 -17.530 1.00 0.00 C ATOM 1014 O LYS A 63 -11.045 -8.312 -18.261 1.00 0.00 O ATOM 1015 CB LYS A 63 -13.608 -6.354 -18.567 1.00 0.00 C ATOM 1016 CG LYS A 63 -13.139 -6.675 -19.990 1.00 0.00 C ATOM 1017 CD LYS A 63 -13.681 -5.624 -20.969 1.00 0.00 C ATOM 1018 CE LYS A 63 -12.899 -4.313 -20.825 1.00 0.00 C ATOM 1019 NZ LYS A 63 -13.253 -3.401 -21.946 1.00 0.00 N ATOM 0 H LYS A 63 -14.430 -6.480 -16.257 1.00 0.00 H new ATOM 0 HA LYS A 63 -13.581 -8.436 -18.024 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -14.689 -6.219 -18.551 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -13.165 -5.417 -18.229 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -12.050 -6.692 -20.028 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -13.484 -7.667 -20.281 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -13.601 -5.993 -21.991 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -14.739 -5.448 -20.776 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -13.131 -3.841 -19.870 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -11.828 -4.513 -20.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -12.723 -2.511 -21.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -13.010 -3.853 -22.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -14.273 -3.201 -21.922 1.00 0.00 H new ATOM 1033 N ASP A 64 -11.117 -6.778 -16.621 1.00 0.00 N ATOM 1034 CA ASP A 64 -9.675 -6.774 -16.443 1.00 0.00 C ATOM 1035 C ASP A 64 -9.195 -8.143 -15.968 1.00 0.00 C ATOM 1036 O ASP A 64 -8.154 -8.632 -16.407 1.00 0.00 O ATOM 1037 CB ASP A 64 -9.292 -5.717 -15.410 1.00 0.00 C ATOM 1038 CG ASP A 64 -7.789 -5.459 -15.454 1.00 0.00 C ATOM 1039 OD1 ASP A 64 -7.062 -6.367 -15.822 1.00 0.00 O ATOM 1040 OD2 ASP A 64 -7.387 -4.355 -15.123 1.00 0.00 O ATOM 0 H ASP A 64 -11.626 -6.146 -16.003 1.00 0.00 H new ATOM 0 HA ASP A 64 -9.203 -6.545 -17.399 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -9.833 -4.792 -15.608 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -9.582 -6.050 -14.413 1.00 0.00 H new ATOM 1045 N LEU A 65 -9.952 -8.749 -15.059 1.00 0.00 N ATOM 1046 CA LEU A 65 -9.583 -10.054 -14.521 1.00 0.00 C ATOM 1047 C LEU A 65 -9.588 -11.094 -15.627 1.00 0.00 C ATOM 1048 O LEU A 65 -8.682 -11.923 -15.719 1.00 0.00 O ATOM 1049 CB LEU A 65 -10.565 -10.465 -13.417 1.00 0.00 C ATOM 1050 CG LEU A 65 -10.227 -9.720 -12.116 1.00 0.00 C ATOM 1051 CD1 LEU A 65 -8.871 -10.159 -11.541 1.00 0.00 C ATOM 1052 CD2 LEU A 65 -10.197 -8.219 -12.400 1.00 0.00 C ATOM 0 H LEU A 65 -10.817 -8.362 -14.682 1.00 0.00 H new ATOM 0 HA LEU A 65 -8.580 -9.988 -14.099 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -11.586 -10.237 -13.723 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -10.514 -11.542 -13.254 1.00 0.00 H new ATOM 0 HG LEU A 65 -10.992 -9.958 -11.377 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -8.670 -9.609 -10.622 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -8.896 -11.227 -11.326 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -8.084 -9.953 -12.267 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -9.958 -7.680 -11.483 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -9.439 -8.006 -13.154 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -11.172 -7.898 -12.766 1.00 0.00 H new ATOM 1064 N ALA A 66 -10.609 -11.041 -16.468 1.00 0.00 N ATOM 1065 CA ALA A 66 -10.712 -11.988 -17.569 1.00 0.00 C ATOM 1066 C ALA A 66 -9.524 -11.833 -18.509 1.00 0.00 C ATOM 1067 O ALA A 66 -8.893 -12.817 -18.898 1.00 0.00 O ATOM 1068 CB ALA A 66 -12.013 -11.755 -18.336 1.00 0.00 C ATOM 0 H ALA A 66 -11.369 -10.363 -16.412 1.00 0.00 H new ATOM 0 HA ALA A 66 -10.711 -13.000 -17.163 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -12.083 -12.467 -19.158 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -12.861 -11.891 -17.664 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -12.024 -10.740 -18.733 1.00 0.00 H new ATOM 1074 N LEU A 67 -9.220 -10.591 -18.869 1.00 0.00 N ATOM 1075 CA LEU A 67 -8.102 -10.317 -19.760 1.00 0.00 C ATOM 1076 C LEU A 67 -6.783 -10.626 -19.072 1.00 0.00 C ATOM 1077 O LEU A 67 -5.875 -11.197 -19.672 1.00 0.00 O ATOM 1078 CB LEU A 67 -8.125 -8.848 -20.190 1.00 0.00 C ATOM 1079 CG LEU A 67 -9.343 -8.597 -21.094 1.00 0.00 C ATOM 1080 CD1 LEU A 67 -9.501 -7.091 -21.326 1.00 0.00 C ATOM 1081 CD2 LEU A 67 -9.179 -9.327 -22.449 1.00 0.00 C ATOM 0 H LEU A 67 -9.729 -9.763 -18.559 1.00 0.00 H new ATOM 0 HA LEU A 67 -8.197 -10.954 -20.639 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -8.170 -8.202 -19.313 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -7.207 -8.599 -20.722 1.00 0.00 H new ATOM 0 HG LEU A 67 -10.234 -8.987 -20.602 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -10.364 -6.910 -21.967 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -9.648 -6.589 -20.370 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -8.604 -6.701 -21.807 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -10.052 -9.136 -23.073 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -8.285 -8.961 -22.954 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -9.085 -10.399 -22.276 1.00 0.00 H new ATOM 1093 N LEU A 68 -6.684 -10.245 -17.807 1.00 0.00 N ATOM 1094 CA LEU A 68 -5.463 -10.484 -17.054 1.00 0.00 C ATOM 1095 C LEU A 68 -5.228 -11.978 -16.892 1.00 0.00 C ATOM 1096 O LEU A 68 -6.133 -12.718 -16.508 1.00 0.00 O ATOM 1097 CB LEU A 68 -5.561 -9.822 -15.675 1.00 0.00 C ATOM 1098 CG LEU A 68 -4.236 -9.993 -14.909 1.00 0.00 C ATOM 1099 CD1 LEU A 68 -3.099 -9.242 -15.628 1.00 0.00 C ATOM 1100 CD2 LEU A 68 -4.401 -9.448 -13.486 1.00 0.00 C ATOM 0 H LEU A 68 -7.424 -9.775 -17.286 1.00 0.00 H new ATOM 0 HA LEU A 68 -4.625 -10.052 -17.601 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.791 -8.762 -15.787 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -6.378 -10.267 -15.107 1.00 0.00 H new ATOM 0 HG LEU A 68 -3.981 -11.052 -14.869 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.169 -9.373 -15.074 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -2.980 -9.640 -16.636 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.342 -8.181 -15.684 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.465 -9.567 -12.940 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.664 -8.391 -13.529 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -5.192 -9.998 -12.975 1.00 0.00 H new ATOM 1112 N GLU A 69 -4.007 -12.417 -17.186 1.00 0.00 N ATOM 1113 CA GLU A 69 -3.676 -13.835 -17.065 1.00 0.00 C ATOM 1114 C GLU A 69 -3.354 -14.185 -15.616 1.00 0.00 C ATOM 1115 O GLU A 69 -2.359 -13.715 -15.055 1.00 0.00 O ATOM 1116 CB GLU A 69 -2.470 -14.172 -17.948 1.00 0.00 C ATOM 1117 CG GLU A 69 -2.829 -13.911 -19.409 1.00 0.00 C ATOM 1118 CD GLU A 69 -3.841 -14.944 -19.892 1.00 0.00 C ATOM 1119 OE1 GLU A 69 -4.099 -15.884 -19.157 1.00 0.00 O ATOM 1120 OE2 GLU A 69 -4.355 -14.774 -20.986 1.00 0.00 O ATOM 0 H GLU A 69 -3.241 -11.823 -17.505 1.00 0.00 H new ATOM 0 HA GLU A 69 -4.538 -14.417 -17.390 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -1.611 -13.566 -17.658 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -2.185 -15.215 -17.812 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.242 -12.908 -19.517 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -1.931 -13.954 -20.026 1.00 0.00 H new ATOM 1127 N VAL A 70 -4.200 -15.019 -15.008 1.00 0.00 N ATOM 1128 CA VAL A 70 -4.004 -15.431 -13.619 1.00 0.00 C ATOM 1129 C VAL A 70 -4.118 -16.942 -13.495 1.00 0.00 C ATOM 1130 O VAL A 70 -4.744 -17.600 -14.326 1.00 0.00 O ATOM 1131 CB VAL A 70 -5.054 -14.766 -12.721 1.00 0.00 C ATOM 1132 CG1 VAL A 70 -4.688 -13.294 -12.501 1.00 0.00 C ATOM 1133 CG2 VAL A 70 -6.429 -14.858 -13.392 1.00 0.00 C ATOM 0 H VAL A 70 -5.024 -15.421 -15.455 1.00 0.00 H new ATOM 0 HA VAL A 70 -3.008 -15.121 -13.304 1.00 0.00 H new ATOM 0 HB VAL A 70 -5.083 -15.277 -11.758 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -5.436 -12.825 -11.862 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.711 -13.230 -12.023 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -4.656 -12.779 -13.461 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -7.177 -14.386 -12.755 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -6.399 -14.349 -14.355 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -6.691 -15.905 -13.544 1.00 0.00 H new ATOM 1143 N GLU A 71 -3.504 -17.489 -12.448 1.00 0.00 N ATOM 1144 CA GLU A 71 -3.536 -18.935 -12.216 1.00 0.00 C ATOM 1145 C GLU A 71 -3.771 -19.232 -10.741 1.00 0.00 C ATOM 1146 O GLU A 71 -3.041 -18.750 -9.875 1.00 0.00 O ATOM 1147 CB GLU A 71 -2.213 -19.565 -12.664 1.00 0.00 C ATOM 1148 CG GLU A 71 -2.033 -19.381 -14.175 1.00 0.00 C ATOM 1149 CD GLU A 71 -3.116 -20.144 -14.930 1.00 0.00 C ATOM 1150 OE1 GLU A 71 -3.704 -21.036 -14.341 1.00 0.00 O ATOM 1151 OE2 GLU A 71 -3.342 -19.827 -16.087 1.00 0.00 O ATOM 0 H GLU A 71 -2.981 -16.959 -11.750 1.00 0.00 H new ATOM 0 HA GLU A 71 -4.354 -19.362 -12.796 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -1.382 -19.104 -12.131 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -2.202 -20.626 -12.414 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -2.080 -18.322 -14.428 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -1.048 -19.737 -14.478 1.00 0.00 H new ATOM 1158 N ALA A 72 -4.798 -20.031 -10.466 1.00 0.00 N ATOM 1159 CA ALA A 72 -5.124 -20.388 -9.093 1.00 0.00 C ATOM 1160 C ALA A 72 -4.060 -21.316 -8.522 1.00 0.00 C ATOM 1161 O ALA A 72 -3.583 -22.220 -9.208 1.00 0.00 O ATOM 1162 CB ALA A 72 -6.489 -21.078 -9.042 1.00 0.00 C ATOM 0 H ALA A 72 -5.413 -20.439 -11.170 1.00 0.00 H new ATOM 0 HA ALA A 72 -5.158 -19.477 -8.495 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -6.725 -21.342 -8.011 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -7.253 -20.403 -9.428 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -6.463 -21.982 -9.651 1.00 0.00 H new ATOM 1168 N VAL A 73 -3.691 -21.089 -7.263 1.00 0.00 N ATOM 1169 CA VAL A 73 -2.675 -21.915 -6.610 1.00 0.00 C ATOM 1170 C VAL A 73 -3.337 -22.988 -5.753 1.00 0.00 C ATOM 1171 O VAL A 73 -4.210 -22.695 -4.937 1.00 0.00 O ATOM 1172 CB VAL A 73 -1.783 -21.038 -5.730 1.00 0.00 C ATOM 1173 CG1 VAL A 73 -0.659 -21.889 -5.138 1.00 0.00 C ATOM 1174 CG2 VAL A 73 -1.184 -19.912 -6.575 1.00 0.00 C ATOM 0 H VAL A 73 -4.076 -20.347 -6.678 1.00 0.00 H new ATOM 0 HA VAL A 73 -2.069 -22.397 -7.378 1.00 0.00 H new ATOM 0 HB VAL A 73 -2.376 -20.608 -4.922 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -0.022 -21.265 -4.511 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -1.088 -22.691 -4.537 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -0.065 -22.319 -5.944 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -0.548 -19.286 -5.949 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -0.590 -20.340 -7.383 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -1.987 -19.307 -6.996 1.00 0.00 H new