USER MOD reduce.3.24.130724 H: found=0, std=0, add=504, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 503 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 12 SER OG : rot 180:sc= 0.0771 USER MOD Set 1.2: A 13 GLN : amide:sc= 0 X(o=0.077,f=0.11) USER MOD Single : A 1 HIS : no HD1:sc= -0.233 X(o=-0.23,f=-0.0079) USER MOD Single : A 1 HIS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.0356 USER MOD Single : A 9 SER OG : rot 180:sc= -0.0161 USER MOD Single : A 10 TYR OH : rot 14:sc= 0.548 USER MOD Single : A 14 SER OG : rot 180:sc= 0.0157 USER MOD Single : A 18 SER OG : rot -18:sc= 0.752! USER MOD Single : A 20 MET CE :methyl -137:sc= -10.4! (180deg=-15.6!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 100:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0.0686 USER MOD Single : A 32 LYS NZ :NH3+ -121:sc=-0.000217 (180deg=-0.0211) USER MOD Single : A 39 THR OG1 : rot 140:sc= -0.52 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 LYS NZ :NH3+ -111:sc= 0.271 (180deg=-0.119) USER MOD Single : A 50 SER OG : rot 180:sc= -0.0342 USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=-0.068) USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 168:sc= -0.838 (180deg=-0.903) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 -0.328 -36.891 15.309 1.00 0.00 N ATOM 2 CA HIS A 1 -0.772 -35.943 14.247 1.00 0.00 C ATOM 3 C HIS A 1 -0.684 -36.612 12.872 1.00 0.00 C ATOM 4 O HIS A 1 0.306 -37.229 12.533 1.00 0.00 O ATOM 5 CB HIS A 1 0.200 -34.765 14.336 1.00 0.00 C ATOM 6 CG HIS A 1 -0.349 -33.732 15.281 1.00 0.00 C ATOM 7 ND1 HIS A 1 0.230 -32.480 15.427 1.00 0.00 N ATOM 8 CD2 HIS A 1 -1.423 -33.749 16.136 1.00 0.00 C ATOM 9 CE1 HIS A 1 -0.494 -31.802 16.337 1.00 0.00 C ATOM 10 NE2 HIS A 1 -1.514 -32.531 16.800 1.00 0.00 N ATOM 0 H1 HIS A 1 -0.392 -36.427 16.237 1.00 0.00 H new ATOM 0 H2 HIS A 1 -0.938 -37.733 15.300 1.00 0.00 H new ATOM 0 H3 HIS A 1 0.656 -37.175 15.131 1.00 0.00 H new ATOM 0 HA HIS A 1 -1.807 -35.627 14.380 1.00 0.00 H new ATOM 0 HB2 HIS A 1 1.174 -35.109 14.683 1.00 0.00 H new ATOM 0 HB3 HIS A 1 0.349 -34.328 13.349 1.00 0.00 H new ATOM 0 HD2 HIS A 1 -2.096 -34.583 16.272 1.00 0.00 H new ATOM 0 HE1 HIS A 1 -0.277 -30.793 16.654 1.00 0.00 H new ATOM 0 HE2 HIS A 1 -2.210 -32.253 17.492 1.00 0.00 H new ATOM 20 N PHE A 2 -1.715 -36.496 12.079 1.00 0.00 N ATOM 21 CA PHE A 2 -1.693 -37.124 10.726 1.00 0.00 C ATOM 22 C PHE A 2 -0.330 -36.907 10.064 1.00 0.00 C ATOM 23 O PHE A 2 0.169 -35.802 9.997 1.00 0.00 O ATOM 24 CB PHE A 2 -2.790 -36.406 9.939 1.00 0.00 C ATOM 25 CG PHE A 2 -3.540 -37.403 9.090 1.00 0.00 C ATOM 26 CD1 PHE A 2 -2.893 -38.554 8.627 1.00 0.00 C ATOM 27 CD2 PHE A 2 -4.883 -37.177 8.766 1.00 0.00 C ATOM 28 CE1 PHE A 2 -3.588 -39.479 7.839 1.00 0.00 C ATOM 29 CE2 PHE A 2 -5.578 -38.101 7.979 1.00 0.00 C ATOM 30 CZ PHE A 2 -4.931 -39.253 7.516 1.00 0.00 C ATOM 0 H PHE A 2 -2.572 -35.993 12.310 1.00 0.00 H new ATOM 0 HA PHE A 2 -1.858 -38.201 10.768 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -3.476 -35.908 10.624 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -2.352 -35.633 9.308 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -1.857 -38.729 8.878 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -5.383 -36.289 9.124 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -3.088 -40.367 7.480 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -6.614 -37.926 7.728 1.00 0.00 H new ATOM 0 HZ PHE A 2 -5.468 -39.967 6.910 1.00 0.00 H new ATOM 40 N ALA A 3 0.276 -37.953 9.573 1.00 0.00 N ATOM 41 CA ALA A 3 1.606 -37.804 8.916 1.00 0.00 C ATOM 42 C ALA A 3 1.605 -36.582 7.992 1.00 0.00 C ATOM 43 O ALA A 3 2.562 -35.836 7.932 1.00 0.00 O ATOM 44 CB ALA A 3 1.796 -39.087 8.108 1.00 0.00 C ATOM 0 H ALA A 3 -0.092 -38.904 9.598 1.00 0.00 H new ATOM 0 HA ALA A 3 2.409 -37.656 9.638 1.00 0.00 H new ATOM 0 HB1 ALA A 3 2.756 -39.054 7.593 1.00 0.00 H new ATOM 0 HB2 ALA A 3 1.773 -39.946 8.779 1.00 0.00 H new ATOM 0 HB3 ALA A 3 0.994 -39.178 7.375 1.00 0.00 H new ATOM 50 N ALA A 4 0.537 -36.375 7.271 1.00 0.00 N ATOM 51 CA ALA A 4 0.474 -35.204 6.350 1.00 0.00 C ATOM 52 C ALA A 4 0.191 -33.922 7.138 1.00 0.00 C ATOM 53 O ALA A 4 -0.059 -33.954 8.326 1.00 0.00 O ATOM 54 CB ALA A 4 -0.680 -35.513 5.397 1.00 0.00 C ATOM 0 H ALA A 4 -0.295 -36.966 7.280 1.00 0.00 H new ATOM 0 HA ALA A 4 1.412 -35.047 5.818 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -0.792 -34.696 4.685 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -0.470 -36.437 4.859 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -1.602 -35.627 5.967 1.00 0.00 H new ATOM 60 N ASP A 5 0.232 -32.793 6.483 1.00 0.00 N ATOM 61 CA ASP A 5 -0.033 -31.509 7.194 1.00 0.00 C ATOM 62 C ASP A 5 -1.332 -30.877 6.685 1.00 0.00 C ATOM 63 O ASP A 5 -1.328 -29.807 6.111 1.00 0.00 O ATOM 64 CB ASP A 5 1.163 -30.618 6.856 1.00 0.00 C ATOM 65 CG ASP A 5 2.435 -31.219 7.458 1.00 0.00 C ATOM 66 OD1 ASP A 5 2.326 -32.219 8.147 1.00 0.00 O ATOM 67 OD2 ASP A 5 3.497 -30.667 7.219 1.00 0.00 O ATOM 0 H ASP A 5 0.437 -32.704 5.488 1.00 0.00 H new ATOM 0 HA ASP A 5 -0.149 -31.649 8.269 1.00 0.00 H new ATOM 0 HB2 ASP A 5 1.268 -30.527 5.775 1.00 0.00 H new ATOM 0 HB3 ASP A 5 1.003 -29.613 7.247 1.00 0.00 H new ATOM 72 N CYS A 6 -2.444 -31.529 6.891 1.00 0.00 N ATOM 73 CA CYS A 6 -3.739 -30.960 6.419 1.00 0.00 C ATOM 74 C CYS A 6 -4.378 -30.117 7.525 1.00 0.00 C ATOM 75 O CYS A 6 -4.248 -30.412 8.696 1.00 0.00 O ATOM 76 CB CYS A 6 -4.614 -32.172 6.097 1.00 0.00 C ATOM 77 SG CYS A 6 -3.738 -33.261 4.947 1.00 0.00 S ATOM 0 H CYS A 6 -2.512 -32.430 7.365 1.00 0.00 H new ATOM 0 HA CYS A 6 -3.612 -30.309 5.554 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -4.857 -32.712 7.012 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -5.558 -31.847 5.659 1.00 0.00 H new ATOM 82 N CYS A 7 -5.064 -29.068 7.164 1.00 0.00 N ATOM 83 CA CYS A 7 -5.707 -28.208 8.194 1.00 0.00 C ATOM 84 C CYS A 7 -7.136 -28.684 8.465 1.00 0.00 C ATOM 85 O CYS A 7 -7.871 -29.023 7.558 1.00 0.00 O ATOM 86 CB CYS A 7 -5.727 -26.808 7.578 1.00 0.00 C ATOM 87 SG CYS A 7 -4.300 -25.858 8.160 1.00 0.00 S ATOM 0 H CYS A 7 -5.207 -28.770 6.199 1.00 0.00 H new ATOM 0 HA CYS A 7 -5.174 -28.235 9.144 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -5.708 -26.879 6.491 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -6.650 -26.296 7.848 1.00 0.00 H new ATOM 92 N THR A 8 -7.542 -28.696 9.704 1.00 0.00 N ATOM 93 CA THR A 8 -8.931 -29.131 10.028 1.00 0.00 C ATOM 94 C THR A 8 -9.825 -27.897 10.151 1.00 0.00 C ATOM 95 O THR A 8 -11.037 -27.984 10.143 1.00 0.00 O ATOM 96 CB THR A 8 -8.828 -29.860 11.370 1.00 0.00 C ATOM 97 OG1 THR A 8 -7.460 -30.003 11.732 1.00 0.00 O ATOM 98 CG2 THR A 8 -9.471 -31.242 11.250 1.00 0.00 C ATOM 0 H THR A 8 -6.974 -28.424 10.506 1.00 0.00 H new ATOM 0 HA THR A 8 -9.360 -29.776 9.261 1.00 0.00 H new ATOM 0 HB THR A 8 -9.346 -29.283 12.136 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.396 -30.468 12.592 1.00 0.00 H new ATOM 0 HG21 THR A 8 -9.398 -31.762 12.205 1.00 0.00 H new ATOM 0 HG22 THR A 8 -10.520 -31.133 10.976 1.00 0.00 H new ATOM 0 HG23 THR A 8 -8.954 -31.819 10.483 1.00 0.00 H new ATOM 106 N SER A 9 -9.222 -26.745 10.254 1.00 0.00 N ATOM 107 CA SER A 9 -10.004 -25.485 10.364 1.00 0.00 C ATOM 108 C SER A 9 -9.122 -24.309 9.941 1.00 0.00 C ATOM 109 O SER A 9 -8.226 -24.458 9.133 1.00 0.00 O ATOM 110 CB SER A 9 -10.382 -25.376 11.842 1.00 0.00 C ATOM 111 OG SER A 9 -9.238 -25.007 12.598 1.00 0.00 O ATOM 0 H SER A 9 -8.209 -26.623 10.267 1.00 0.00 H new ATOM 0 HA SER A 9 -10.889 -25.477 9.727 1.00 0.00 H new ATOM 0 HB2 SER A 9 -11.171 -24.636 11.973 1.00 0.00 H new ATOM 0 HB3 SER A 9 -10.775 -26.328 12.199 1.00 0.00 H new ATOM 0 HG SER A 9 -9.481 -24.935 13.545 1.00 0.00 H new ATOM 117 N TYR A 10 -9.357 -23.146 10.476 1.00 0.00 N ATOM 118 CA TYR A 10 -8.514 -21.977 10.097 1.00 0.00 C ATOM 119 C TYR A 10 -8.419 -20.996 11.267 1.00 0.00 C ATOM 120 O TYR A 10 -9.271 -20.964 12.133 1.00 0.00 O ATOM 121 CB TYR A 10 -9.226 -21.341 8.902 1.00 0.00 C ATOM 122 CG TYR A 10 -9.303 -22.348 7.779 1.00 0.00 C ATOM 123 CD1 TYR A 10 -8.128 -22.795 7.161 1.00 0.00 C ATOM 124 CD2 TYR A 10 -10.544 -22.839 7.359 1.00 0.00 C ATOM 125 CE1 TYR A 10 -8.196 -23.733 6.123 1.00 0.00 C ATOM 126 CE2 TYR A 10 -10.612 -23.775 6.320 1.00 0.00 C ATOM 127 CZ TYR A 10 -9.437 -24.222 5.703 1.00 0.00 C ATOM 128 OH TYR A 10 -9.506 -25.145 4.679 1.00 0.00 O ATOM 0 H TYR A 10 -10.092 -22.953 11.156 1.00 0.00 H new ATOM 0 HA TYR A 10 -7.493 -22.264 9.846 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -10.227 -21.020 9.188 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -8.688 -20.452 8.573 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -7.170 -22.416 7.485 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -11.450 -22.496 7.836 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -7.290 -24.079 5.647 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -11.570 -24.152 5.995 1.00 0.00 H new ATOM 0 HH TYR A 10 -8.615 -25.518 4.514 1.00 0.00 H new ATOM 138 N ILE A 11 -7.389 -20.198 11.299 1.00 0.00 N ATOM 139 CA ILE A 11 -7.238 -19.223 12.414 1.00 0.00 C ATOM 140 C ILE A 11 -8.557 -18.473 12.630 1.00 0.00 C ATOM 141 O ILE A 11 -9.512 -18.659 11.902 1.00 0.00 O ATOM 142 CB ILE A 11 -6.128 -18.262 11.970 1.00 0.00 C ATOM 143 CG1 ILE A 11 -6.655 -17.336 10.872 1.00 0.00 C ATOM 144 CG2 ILE A 11 -4.924 -19.043 11.442 1.00 0.00 C ATOM 145 CD1 ILE A 11 -6.917 -18.142 9.599 1.00 0.00 C ATOM 0 H ILE A 11 -6.645 -20.179 10.601 1.00 0.00 H new ATOM 0 HA ILE A 11 -6.987 -19.708 13.358 1.00 0.00 H new ATOM 0 HB ILE A 11 -5.816 -17.670 12.830 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -7.574 -16.851 11.202 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.932 -16.546 10.671 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -4.146 -18.346 11.131 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -4.537 -19.691 12.228 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -5.229 -19.649 10.589 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -7.292 -17.479 8.819 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -5.989 -18.606 9.265 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -7.657 -18.916 9.804 1.00 0.00 H new ATOM 157 N SER A 12 -8.625 -17.632 13.627 1.00 0.00 N ATOM 158 CA SER A 12 -9.892 -16.883 13.882 1.00 0.00 C ATOM 159 C SER A 12 -9.802 -15.464 13.317 1.00 0.00 C ATOM 160 O SER A 12 -10.728 -14.684 13.418 1.00 0.00 O ATOM 161 CB SER A 12 -10.038 -16.844 15.404 1.00 0.00 C ATOM 162 OG SER A 12 -8.808 -17.207 16.014 1.00 0.00 O ATOM 0 H SER A 12 -7.862 -17.431 14.274 1.00 0.00 H new ATOM 0 HA SER A 12 -10.747 -17.359 13.402 1.00 0.00 H new ATOM 0 HB2 SER A 12 -10.333 -15.845 15.725 1.00 0.00 H new ATOM 0 HB3 SER A 12 -10.827 -17.526 15.721 1.00 0.00 H new ATOM 0 HG SER A 12 -8.905 -17.179 16.989 1.00 0.00 H new ATOM 168 N GLN A 13 -8.693 -15.122 12.724 1.00 0.00 N ATOM 169 CA GLN A 13 -8.542 -13.754 12.151 1.00 0.00 C ATOM 170 C GLN A 13 -7.512 -13.775 11.022 1.00 0.00 C ATOM 171 O GLN A 13 -7.044 -14.819 10.622 1.00 0.00 O ATOM 172 CB GLN A 13 -8.046 -12.892 13.313 1.00 0.00 C ATOM 173 CG GLN A 13 -6.721 -13.454 13.833 1.00 0.00 C ATOM 174 CD GLN A 13 -6.701 -13.384 15.361 1.00 0.00 C ATOM 175 OE1 GLN A 13 -6.025 -12.552 15.934 1.00 0.00 O ATOM 176 NE2 GLN A 13 -7.417 -14.228 16.051 1.00 0.00 N ATOM 0 H GLN A 13 -7.883 -15.731 12.611 1.00 0.00 H new ATOM 0 HA GLN A 13 -9.472 -13.372 11.730 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -7.913 -11.861 12.985 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -8.787 -12.879 14.112 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -6.597 -14.486 13.504 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -5.887 -12.886 13.421 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -7.985 -14.927 15.571 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -7.409 -14.189 17.070 1.00 0.00 H new ATOM 185 N SER A 14 -7.146 -12.636 10.508 1.00 0.00 N ATOM 186 CA SER A 14 -6.137 -12.618 9.412 1.00 0.00 C ATOM 187 C SER A 14 -4.882 -13.374 9.859 1.00 0.00 C ATOM 188 O SER A 14 -4.565 -13.424 11.030 1.00 0.00 O ATOM 189 CB SER A 14 -5.824 -11.139 9.182 1.00 0.00 C ATOM 190 OG SER A 14 -5.601 -10.502 10.431 1.00 0.00 O ATOM 0 H SER A 14 -7.498 -11.723 10.796 1.00 0.00 H new ATOM 0 HA SER A 14 -6.497 -13.097 8.502 1.00 0.00 H new ATOM 0 HB2 SER A 14 -4.944 -11.037 8.548 1.00 0.00 H new ATOM 0 HB3 SER A 14 -6.651 -10.658 8.659 1.00 0.00 H new ATOM 0 HG SER A 14 -5.399 -9.555 10.283 1.00 0.00 H new ATOM 196 N ILE A 15 -4.168 -13.965 8.942 1.00 0.00 N ATOM 197 CA ILE A 15 -2.941 -14.715 9.332 1.00 0.00 C ATOM 198 C ILE A 15 -1.847 -13.739 9.774 1.00 0.00 C ATOM 199 O ILE A 15 -1.640 -12.716 9.153 1.00 0.00 O ATOM 200 CB ILE A 15 -2.508 -15.462 8.073 1.00 0.00 C ATOM 201 CG1 ILE A 15 -3.503 -16.585 7.773 1.00 0.00 C ATOM 202 CG2 ILE A 15 -1.116 -16.055 8.294 1.00 0.00 C ATOM 203 CD1 ILE A 15 -3.497 -17.594 8.924 1.00 0.00 C ATOM 0 H ILE A 15 -4.379 -13.962 7.944 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.123 -15.395 10.164 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.482 -14.772 7.230 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -4.504 -16.173 7.642 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.237 -17.081 6.839 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -0.802 -16.590 7.398 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -0.408 -15.253 8.505 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.144 -16.745 9.137 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -4.206 -18.394 8.710 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.497 -18.015 9.034 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.783 -17.093 9.849 1.00 0.00 H new ATOM 215 N PRO A 16 -1.186 -14.092 10.841 1.00 0.00 N ATOM 216 CA PRO A 16 -0.101 -13.240 11.382 1.00 0.00 C ATOM 217 C PRO A 16 1.163 -13.371 10.534 1.00 0.00 C ATOM 218 O PRO A 16 2.058 -14.124 10.853 1.00 0.00 O ATOM 219 CB PRO A 16 0.132 -13.804 12.779 1.00 0.00 C ATOM 220 CG PRO A 16 -0.327 -15.227 12.707 1.00 0.00 C ATOM 221 CD PRO A 16 -1.385 -15.308 11.636 1.00 0.00 C ATOM 0 HA PRO A 16 -0.356 -12.180 11.386 1.00 0.00 H new ATOM 0 HB2 PRO A 16 1.184 -13.743 13.058 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -0.430 -13.246 13.528 1.00 0.00 H new ATOM 0 HG2 PRO A 16 0.508 -15.888 12.472 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -0.728 -15.550 13.668 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -1.268 -16.205 11.028 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -2.386 -15.343 12.067 1.00 0.00 H new ATOM 229 N CYS A 17 1.249 -12.636 9.463 1.00 0.00 N ATOM 230 CA CYS A 17 2.467 -12.711 8.606 1.00 0.00 C ATOM 231 C CYS A 17 3.694 -12.300 9.428 1.00 0.00 C ATOM 232 O CYS A 17 4.792 -12.784 9.222 1.00 0.00 O ATOM 233 CB CYS A 17 2.239 -11.696 7.483 1.00 0.00 C ATOM 234 SG CYS A 17 0.607 -11.936 6.736 1.00 0.00 S ATOM 0 H CYS A 17 0.531 -11.987 9.142 1.00 0.00 H new ATOM 0 HA CYS A 17 2.636 -13.716 8.220 1.00 0.00 H new ATOM 0 HB2 CYS A 17 2.320 -10.683 7.878 1.00 0.00 H new ATOM 0 HB3 CYS A 17 3.013 -11.805 6.723 1.00 0.00 H new ATOM 239 N SER A 18 3.504 -11.401 10.358 1.00 0.00 N ATOM 240 CA SER A 18 4.644 -10.924 11.202 1.00 0.00 C ATOM 241 C SER A 18 5.137 -12.017 12.158 1.00 0.00 C ATOM 242 O SER A 18 6.003 -11.786 12.978 1.00 0.00 O ATOM 243 CB SER A 18 4.079 -9.745 11.991 1.00 0.00 C ATOM 244 OG SER A 18 5.038 -9.310 12.943 1.00 0.00 O ATOM 0 H SER A 18 2.603 -10.973 10.572 1.00 0.00 H new ATOM 0 HA SER A 18 5.504 -10.649 10.591 1.00 0.00 H new ATOM 0 HB2 SER A 18 3.826 -8.929 11.314 1.00 0.00 H new ATOM 0 HB3 SER A 18 3.158 -10.039 12.495 1.00 0.00 H new ATOM 0 HG SER A 18 5.700 -10.018 13.087 1.00 0.00 H new ATOM 250 N LEU A 19 4.603 -13.202 12.064 1.00 0.00 N ATOM 251 CA LEU A 19 5.053 -14.291 12.970 1.00 0.00 C ATOM 252 C LEU A 19 5.239 -15.583 12.174 1.00 0.00 C ATOM 253 O LEU A 19 5.065 -16.670 12.690 1.00 0.00 O ATOM 254 CB LEU A 19 3.930 -14.449 13.995 1.00 0.00 C ATOM 255 CG LEU A 19 4.230 -13.578 15.217 1.00 0.00 C ATOM 256 CD1 LEU A 19 3.147 -12.507 15.354 1.00 0.00 C ATOM 257 CD2 LEU A 19 4.249 -14.449 16.476 1.00 0.00 C ATOM 0 H LEU A 19 3.875 -13.462 11.399 1.00 0.00 H new ATOM 0 HA LEU A 19 6.006 -14.066 13.448 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.976 -14.159 13.554 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.839 -15.494 14.293 1.00 0.00 H new ATOM 0 HG LEU A 19 5.202 -13.101 15.093 1.00 0.00 H new ATOM 0 HD11 LEU A 19 3.358 -11.885 16.224 1.00 0.00 H new ATOM 0 HD12 LEU A 19 3.134 -11.886 14.458 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.176 -12.986 15.478 1.00 0.00 H new ATOM 0 HD21 LEU A 19 4.463 -13.827 17.345 1.00 0.00 H new ATOM 0 HD22 LEU A 19 3.278 -14.928 16.602 1.00 0.00 H new ATOM 0 HD23 LEU A 19 5.020 -15.213 16.378 1.00 0.00 H new ATOM 269 N MET A 20 5.594 -15.479 10.920 1.00 0.00 N ATOM 270 CA MET A 20 5.788 -16.715 10.111 1.00 0.00 C ATOM 271 C MET A 20 7.043 -16.594 9.246 1.00 0.00 C ATOM 272 O MET A 20 7.282 -15.585 8.615 1.00 0.00 O ATOM 273 CB MET A 20 4.554 -16.836 9.206 1.00 0.00 C ATOM 274 CG MET A 20 3.278 -16.443 9.957 1.00 0.00 C ATOM 275 SD MET A 20 2.644 -17.867 10.873 1.00 0.00 S ATOM 276 CE MET A 20 0.888 -17.572 10.545 1.00 0.00 C ATOM 0 H MET A 20 5.756 -14.601 10.427 1.00 0.00 H new ATOM 0 HA MET A 20 5.907 -17.587 10.754 1.00 0.00 H new ATOM 0 HB2 MET A 20 4.676 -16.197 8.332 1.00 0.00 H new ATOM 0 HB3 MET A 20 4.465 -17.860 8.842 1.00 0.00 H new ATOM 0 HG2 MET A 20 3.487 -15.622 10.642 1.00 0.00 H new ATOM 0 HG3 MET A 20 2.526 -16.087 9.253 1.00 0.00 H new ATOM 0 HE1 MET A 20 0.315 -17.732 11.459 1.00 0.00 H new ATOM 0 HE2 MET A 20 0.749 -16.546 10.204 1.00 0.00 H new ATOM 0 HE3 MET A 20 0.541 -18.260 9.774 1.00 0.00 H new ATOM 286 N LYS A 21 7.839 -17.625 9.211 1.00 0.00 N ATOM 287 CA LYS A 21 9.075 -17.585 8.384 1.00 0.00 C ATOM 288 C LYS A 21 8.789 -18.152 6.991 1.00 0.00 C ATOM 289 O LYS A 21 9.474 -17.845 6.035 1.00 0.00 O ATOM 290 CB LYS A 21 10.083 -18.461 9.130 1.00 0.00 C ATOM 291 CG LYS A 21 9.516 -19.873 9.294 1.00 0.00 C ATOM 292 CD LYS A 21 10.670 -20.865 9.457 1.00 0.00 C ATOM 293 CE LYS A 21 11.150 -21.321 8.078 1.00 0.00 C ATOM 294 NZ LYS A 21 12.600 -20.979 8.046 1.00 0.00 N ATOM 0 H LYS A 21 7.686 -18.495 9.721 1.00 0.00 H new ATOM 0 HA LYS A 21 9.450 -16.571 8.244 1.00 0.00 H new ATOM 0 HB2 LYS A 21 11.024 -18.498 8.581 1.00 0.00 H new ATOM 0 HB3 LYS A 21 10.301 -18.030 10.107 1.00 0.00 H new ATOM 0 HG2 LYS A 21 8.859 -19.915 10.163 1.00 0.00 H new ATOM 0 HG3 LYS A 21 8.913 -20.138 8.426 1.00 0.00 H new ATOM 0 HD2 LYS A 21 11.490 -20.399 10.003 1.00 0.00 H new ATOM 0 HD3 LYS A 21 10.345 -21.725 10.043 1.00 0.00 H new ATOM 0 HE2 LYS A 21 10.993 -22.391 7.938 1.00 0.00 H new ATOM 0 HE3 LYS A 21 10.606 -20.812 7.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 13.003 -21.261 7.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 12.718 -19.954 8.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 13.092 -21.483 8.811 1.00 0.00 H new ATOM 308 N SER A 22 7.781 -18.975 6.862 1.00 0.00 N ATOM 309 CA SER A 22 7.464 -19.550 5.523 1.00 0.00 C ATOM 310 C SER A 22 6.011 -20.029 5.478 1.00 0.00 C ATOM 311 O SER A 22 5.292 -19.948 6.451 1.00 0.00 O ATOM 312 CB SER A 22 8.421 -20.731 5.362 1.00 0.00 C ATOM 313 OG SER A 22 8.524 -21.074 3.988 1.00 0.00 O ATOM 0 H SER A 22 7.168 -19.272 7.621 1.00 0.00 H new ATOM 0 HA SER A 22 7.580 -18.817 4.724 1.00 0.00 H new ATOM 0 HB2 SER A 22 9.403 -20.473 5.758 1.00 0.00 H new ATOM 0 HB3 SER A 22 8.061 -21.585 5.935 1.00 0.00 H new ATOM 0 HG SER A 22 9.139 -21.830 3.885 1.00 0.00 H new ATOM 319 N TYR A 23 5.577 -20.523 4.352 1.00 0.00 N ATOM 320 CA TYR A 23 4.172 -21.013 4.240 1.00 0.00 C ATOM 321 C TYR A 23 4.102 -22.148 3.213 1.00 0.00 C ATOM 322 O TYR A 23 4.882 -22.196 2.282 1.00 0.00 O ATOM 323 CB TYR A 23 3.366 -19.800 3.773 1.00 0.00 C ATOM 324 CG TYR A 23 3.776 -19.425 2.368 1.00 0.00 C ATOM 325 CD1 TYR A 23 3.411 -20.241 1.289 1.00 0.00 C ATOM 326 CD2 TYR A 23 4.519 -18.260 2.144 1.00 0.00 C ATOM 327 CE1 TYR A 23 3.788 -19.891 -0.012 1.00 0.00 C ATOM 328 CE2 TYR A 23 4.897 -17.911 0.841 1.00 0.00 C ATOM 329 CZ TYR A 23 4.532 -18.726 -0.236 1.00 0.00 C ATOM 330 OH TYR A 23 4.905 -18.382 -1.520 1.00 0.00 O ATOM 0 H TYR A 23 6.135 -20.609 3.502 1.00 0.00 H new ATOM 0 HA TYR A 23 3.787 -21.410 5.179 1.00 0.00 H new ATOM 0 HB2 TYR A 23 2.300 -20.026 3.803 1.00 0.00 H new ATOM 0 HB3 TYR A 23 3.532 -18.960 4.447 1.00 0.00 H new ATOM 0 HD1 TYR A 23 2.839 -21.140 1.462 1.00 0.00 H new ATOM 0 HD2 TYR A 23 4.801 -17.631 2.975 1.00 0.00 H new ATOM 0 HE1 TYR A 23 3.505 -20.519 -0.844 1.00 0.00 H new ATOM 0 HE2 TYR A 23 5.470 -17.012 0.668 1.00 0.00 H new ATOM 0 HH TYR A 23 5.415 -17.545 -1.499 1.00 0.00 H new ATOM 340 N PHE A 24 3.182 -23.065 3.363 1.00 0.00 N ATOM 341 CA PHE A 24 3.094 -24.180 2.375 1.00 0.00 C ATOM 342 C PHE A 24 1.652 -24.669 2.235 1.00 0.00 C ATOM 343 O PHE A 24 0.847 -24.525 3.132 1.00 0.00 O ATOM 344 CB PHE A 24 3.989 -25.286 2.939 1.00 0.00 C ATOM 345 CG PHE A 24 3.287 -25.989 4.080 1.00 0.00 C ATOM 346 CD1 PHE A 24 2.284 -26.930 3.815 1.00 0.00 C ATOM 347 CD2 PHE A 24 3.647 -25.703 5.403 1.00 0.00 C ATOM 348 CE1 PHE A 24 1.641 -27.583 4.873 1.00 0.00 C ATOM 349 CE2 PHE A 24 3.004 -26.358 6.460 1.00 0.00 C ATOM 350 CZ PHE A 24 2.002 -27.298 6.196 1.00 0.00 C ATOM 0 H PHE A 24 2.496 -23.091 4.117 1.00 0.00 H new ATOM 0 HA PHE A 24 3.411 -23.867 1.380 1.00 0.00 H new ATOM 0 HB2 PHE A 24 4.233 -26.003 2.155 1.00 0.00 H new ATOM 0 HB3 PHE A 24 4.930 -24.861 3.287 1.00 0.00 H new ATOM 0 HD1 PHE A 24 2.007 -27.152 2.795 1.00 0.00 H new ATOM 0 HD2 PHE A 24 4.420 -24.977 5.608 1.00 0.00 H new ATOM 0 HE1 PHE A 24 0.866 -28.307 4.669 1.00 0.00 H new ATOM 0 HE2 PHE A 24 3.282 -26.137 7.480 1.00 0.00 H new ATOM 0 HZ PHE A 24 1.507 -27.804 7.012 1.00 0.00 H new ATOM 360 N GLU A 25 1.324 -25.256 1.118 1.00 0.00 N ATOM 361 CA GLU A 25 -0.062 -25.765 0.922 1.00 0.00 C ATOM 362 C GLU A 25 -0.142 -27.222 1.381 1.00 0.00 C ATOM 363 O GLU A 25 0.805 -27.972 1.251 1.00 0.00 O ATOM 364 CB GLU A 25 -0.318 -25.662 -0.583 1.00 0.00 C ATOM 365 CG GLU A 25 0.105 -24.280 -1.085 1.00 0.00 C ATOM 366 CD GLU A 25 1.055 -24.440 -2.273 1.00 0.00 C ATOM 367 OE1 GLU A 25 0.788 -25.288 -3.109 1.00 0.00 O ATOM 368 OE2 GLU A 25 2.034 -23.713 -2.327 1.00 0.00 O ATOM 0 H GLU A 25 1.956 -25.405 0.332 1.00 0.00 H new ATOM 0 HA GLU A 25 -0.799 -25.202 1.494 1.00 0.00 H new ATOM 0 HB2 GLU A 25 0.239 -26.437 -1.110 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -1.374 -25.829 -0.794 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -0.772 -23.704 -1.381 1.00 0.00 H new ATOM 0 HG3 GLU A 25 0.595 -23.725 -0.285 1.00 0.00 H new ATOM 375 N THR A 26 -1.256 -27.633 1.918 1.00 0.00 N ATOM 376 CA THR A 26 -1.373 -29.043 2.380 1.00 0.00 C ATOM 377 C THR A 26 -1.379 -29.989 1.178 1.00 0.00 C ATOM 378 O THR A 26 -1.642 -29.586 0.062 1.00 0.00 O ATOM 379 CB THR A 26 -2.706 -29.114 3.126 1.00 0.00 C ATOM 380 OG1 THR A 26 -3.765 -28.802 2.231 1.00 0.00 O ATOM 381 CG2 THR A 26 -2.701 -28.116 4.284 1.00 0.00 C ATOM 0 H THR A 26 -2.086 -27.057 2.056 1.00 0.00 H new ATOM 0 HA THR A 26 -0.539 -29.339 3.017 1.00 0.00 H new ATOM 0 HB THR A 26 -2.848 -30.120 3.520 1.00 0.00 H new ATOM 0 HG1 THR A 26 -4.189 -29.631 1.924 1.00 0.00 H new ATOM 0 HG21 THR A 26 -3.652 -28.169 4.814 1.00 0.00 H new ATOM 0 HG22 THR A 26 -1.889 -28.359 4.970 1.00 0.00 H new ATOM 0 HG23 THR A 26 -2.558 -27.108 3.895 1.00 0.00 H new ATOM 389 N SER A 27 -1.094 -31.241 1.396 1.00 0.00 N ATOM 390 CA SER A 27 -1.085 -32.207 0.260 1.00 0.00 C ATOM 391 C SER A 27 -2.442 -32.198 -0.448 1.00 0.00 C ATOM 392 O SER A 27 -3.480 -32.168 0.182 1.00 0.00 O ATOM 393 CB SER A 27 -0.826 -33.570 0.901 1.00 0.00 C ATOM 394 OG SER A 27 0.446 -33.563 1.533 1.00 0.00 O ATOM 0 H SER A 27 -0.867 -31.638 2.308 1.00 0.00 H new ATOM 0 HA SER A 27 -0.332 -31.959 -0.488 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.605 -33.795 1.630 1.00 0.00 H new ATOM 0 HB3 SER A 27 -0.863 -34.353 0.143 1.00 0.00 H new ATOM 0 HG SER A 27 0.611 -34.437 1.945 1.00 0.00 H new ATOM 400 N SER A 28 -2.443 -32.226 -1.753 1.00 0.00 N ATOM 401 CA SER A 28 -3.736 -32.221 -2.496 1.00 0.00 C ATOM 402 C SER A 28 -4.486 -33.534 -2.257 1.00 0.00 C ATOM 403 O SER A 28 -5.619 -33.699 -2.664 1.00 0.00 O ATOM 404 CB SER A 28 -3.349 -32.081 -3.969 1.00 0.00 C ATOM 405 OG SER A 28 -2.987 -33.353 -4.485 1.00 0.00 O ATOM 0 H SER A 28 -1.606 -32.252 -2.336 1.00 0.00 H new ATOM 0 HA SER A 28 -4.396 -31.416 -2.173 1.00 0.00 H new ATOM 0 HB2 SER A 28 -4.183 -31.670 -4.538 1.00 0.00 H new ATOM 0 HB3 SER A 28 -2.517 -31.384 -4.073 1.00 0.00 H new ATOM 0 HG SER A 28 -2.740 -33.265 -5.429 1.00 0.00 H new ATOM 411 N GLU A 29 -3.859 -34.466 -1.597 1.00 0.00 N ATOM 412 CA GLU A 29 -4.527 -35.771 -1.322 1.00 0.00 C ATOM 413 C GLU A 29 -5.598 -35.600 -0.242 1.00 0.00 C ATOM 414 O GLU A 29 -6.574 -36.321 -0.202 1.00 0.00 O ATOM 415 CB GLU A 29 -3.408 -36.689 -0.828 1.00 0.00 C ATOM 416 CG GLU A 29 -3.655 -38.112 -1.330 1.00 0.00 C ATOM 417 CD GLU A 29 -3.029 -39.113 -0.357 1.00 0.00 C ATOM 418 OE1 GLU A 29 -3.109 -38.879 0.838 1.00 0.00 O ATOM 419 OE2 GLU A 29 -2.478 -40.097 -0.823 1.00 0.00 O ATOM 0 H GLU A 29 -2.909 -34.381 -1.234 1.00 0.00 H new ATOM 0 HA GLU A 29 -5.027 -36.174 -2.203 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -2.443 -36.329 -1.185 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -3.369 -36.678 0.261 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -4.726 -38.297 -1.419 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -3.226 -38.238 -2.324 1.00 0.00 H new ATOM 426 N CYS A 30 -5.420 -34.650 0.637 1.00 0.00 N ATOM 427 CA CYS A 30 -6.427 -34.435 1.716 1.00 0.00 C ATOM 428 C CYS A 30 -7.697 -33.803 1.141 1.00 0.00 C ATOM 429 O CYS A 30 -7.646 -32.977 0.251 1.00 0.00 O ATOM 430 CB CYS A 30 -5.751 -33.482 2.701 1.00 0.00 C ATOM 431 SG CYS A 30 -5.195 -34.411 4.151 1.00 0.00 S ATOM 0 H CYS A 30 -4.622 -34.015 0.654 1.00 0.00 H new ATOM 0 HA CYS A 30 -6.728 -35.368 2.191 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -4.904 -32.989 2.224 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -6.447 -32.699 3.002 1.00 0.00 H new ATOM 436 N SER A 31 -8.838 -34.185 1.646 1.00 0.00 N ATOM 437 CA SER A 31 -10.115 -33.611 1.135 1.00 0.00 C ATOM 438 C SER A 31 -10.157 -32.104 1.372 1.00 0.00 C ATOM 439 O SER A 31 -10.402 -31.324 0.475 1.00 0.00 O ATOM 440 CB SER A 31 -11.212 -34.309 1.939 1.00 0.00 C ATOM 441 OG SER A 31 -10.807 -34.423 3.295 1.00 0.00 O ATOM 0 H SER A 31 -8.941 -34.872 2.393 1.00 0.00 H new ATOM 0 HA SER A 31 -10.232 -33.764 0.062 1.00 0.00 H new ATOM 0 HB2 SER A 31 -12.142 -33.744 1.873 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.409 -35.297 1.523 1.00 0.00 H new ATOM 0 HG SER A 31 -11.511 -34.869 3.810 1.00 0.00 H new ATOM 447 N LYS A 32 -9.928 -31.702 2.581 1.00 0.00 N ATOM 448 CA LYS A 32 -9.957 -30.246 2.912 1.00 0.00 C ATOM 449 C LYS A 32 -8.562 -29.632 2.760 1.00 0.00 C ATOM 450 O LYS A 32 -7.689 -29.867 3.571 1.00 0.00 O ATOM 451 CB LYS A 32 -10.415 -30.184 4.370 1.00 0.00 C ATOM 452 CG LYS A 32 -10.902 -28.769 4.692 1.00 0.00 C ATOM 453 CD LYS A 32 -11.480 -28.737 6.110 1.00 0.00 C ATOM 454 CE LYS A 32 -12.929 -28.247 6.062 1.00 0.00 C ATOM 455 NZ LYS A 32 -13.717 -29.405 5.546 1.00 0.00 N ATOM 0 H LYS A 32 -9.719 -32.318 3.366 1.00 0.00 H new ATOM 0 HA LYS A 32 -10.618 -29.687 2.249 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -11.216 -30.904 4.542 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -9.593 -30.457 5.032 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -10.077 -28.061 4.608 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -11.660 -28.461 3.972 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -11.436 -29.731 6.554 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -10.884 -28.079 6.742 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -13.275 -27.944 7.050 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -13.030 -27.380 5.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -14.206 -29.130 4.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -13.077 -30.201 5.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -14.418 -29.692 6.258 1.00 0.00 H new ATOM 469 N PRO A 33 -8.405 -28.853 1.724 1.00 0.00 N ATOM 470 CA PRO A 33 -7.105 -28.186 1.465 1.00 0.00 C ATOM 471 C PRO A 33 -6.897 -27.038 2.454 1.00 0.00 C ATOM 472 O PRO A 33 -7.670 -26.850 3.373 1.00 0.00 O ATOM 473 CB PRO A 33 -7.252 -27.651 0.045 1.00 0.00 C ATOM 474 CG PRO A 33 -8.726 -27.492 -0.159 1.00 0.00 C ATOM 475 CD PRO A 33 -9.408 -28.523 0.705 1.00 0.00 C ATOM 0 HA PRO A 33 -6.250 -28.853 1.578 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -6.732 -26.700 -0.074 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -6.825 -28.341 -0.683 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -9.046 -26.487 0.115 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -8.987 -27.635 -1.208 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -10.319 -28.127 1.155 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -9.694 -29.402 0.127 1.00 0.00 H new ATOM 483 N GLY A 34 -5.863 -26.266 2.274 1.00 0.00 N ATOM 484 CA GLY A 34 -5.616 -25.132 3.205 1.00 0.00 C ATOM 485 C GLY A 34 -4.127 -24.790 3.213 1.00 0.00 C ATOM 486 O GLY A 34 -3.288 -25.614 2.908 1.00 0.00 O ATOM 0 H GLY A 34 -5.180 -26.371 1.524 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -6.197 -24.263 2.898 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.944 -25.396 4.210 1.00 0.00 H new ATOM 490 N VAL A 35 -3.790 -23.580 3.562 1.00 0.00 N ATOM 491 CA VAL A 35 -2.355 -23.184 3.590 1.00 0.00 C ATOM 492 C VAL A 35 -1.874 -23.060 5.040 1.00 0.00 C ATOM 493 O VAL A 35 -2.410 -22.298 5.818 1.00 0.00 O ATOM 494 CB VAL A 35 -2.305 -21.828 2.887 1.00 0.00 C ATOM 495 CG1 VAL A 35 -0.975 -21.139 3.198 1.00 0.00 C ATOM 496 CG2 VAL A 35 -2.431 -22.032 1.376 1.00 0.00 C ATOM 0 H VAL A 35 -4.447 -22.847 3.829 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.711 -23.916 3.103 1.00 0.00 H new ATOM 0 HB VAL A 35 -3.127 -21.206 3.241 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -0.940 -20.172 2.696 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.884 -20.993 4.274 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.152 -21.761 2.845 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.395 -21.065 0.874 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -1.609 -22.655 1.023 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.379 -22.522 1.153 1.00 0.00 H new ATOM 506 N ILE A 36 -0.867 -23.804 5.407 1.00 0.00 N ATOM 507 CA ILE A 36 -0.353 -23.728 6.803 1.00 0.00 C ATOM 508 C ILE A 36 0.936 -22.899 6.837 1.00 0.00 C ATOM 509 O ILE A 36 1.868 -23.158 6.102 1.00 0.00 O ATOM 510 CB ILE A 36 -0.073 -25.183 7.199 1.00 0.00 C ATOM 511 CG1 ILE A 36 -1.371 -25.841 7.669 1.00 0.00 C ATOM 512 CG2 ILE A 36 0.960 -25.234 8.330 1.00 0.00 C ATOM 513 CD1 ILE A 36 -1.055 -27.184 8.332 1.00 0.00 C ATOM 0 H ILE A 36 -0.378 -24.462 4.800 1.00 0.00 H new ATOM 0 HA ILE A 36 -1.057 -23.252 7.485 1.00 0.00 H new ATOM 0 HB ILE A 36 0.320 -25.716 6.333 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -1.887 -25.189 8.374 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.042 -25.991 6.823 1.00 0.00 H new ATOM 0 HG21 ILE A 36 1.150 -26.272 8.602 1.00 0.00 H new ATOM 0 HG22 ILE A 36 1.888 -24.770 7.996 1.00 0.00 H new ATOM 0 HG23 ILE A 36 0.577 -24.696 9.197 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.981 -27.652 8.666 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -0.558 -27.836 7.614 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -0.401 -27.022 9.189 1.00 0.00 H new ATOM 525 N PHE A 37 1.001 -21.911 7.686 1.00 0.00 N ATOM 526 CA PHE A 37 2.241 -21.085 7.759 1.00 0.00 C ATOM 527 C PHE A 37 3.170 -21.639 8.845 1.00 0.00 C ATOM 528 O PHE A 37 2.742 -21.952 9.935 1.00 0.00 O ATOM 529 CB PHE A 37 1.775 -19.675 8.136 1.00 0.00 C ATOM 530 CG PHE A 37 1.014 -19.052 6.988 1.00 0.00 C ATOM 531 CD1 PHE A 37 -0.318 -19.412 6.756 1.00 0.00 C ATOM 532 CD2 PHE A 37 1.638 -18.108 6.158 1.00 0.00 C ATOM 533 CE1 PHE A 37 -1.027 -18.833 5.697 1.00 0.00 C ATOM 534 CE2 PHE A 37 0.928 -17.528 5.101 1.00 0.00 C ATOM 535 CZ PHE A 37 -0.404 -17.889 4.870 1.00 0.00 C ATOM 0 H PHE A 37 0.256 -21.640 8.328 1.00 0.00 H new ATOM 0 HA PHE A 37 2.791 -21.090 6.818 1.00 0.00 H new ATOM 0 HB2 PHE A 37 1.141 -19.718 9.021 1.00 0.00 H new ATOM 0 HB3 PHE A 37 2.635 -19.056 8.390 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -0.800 -20.137 7.395 1.00 0.00 H new ATOM 0 HD2 PHE A 37 2.666 -17.829 6.335 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -2.054 -19.114 5.517 1.00 0.00 H new ATOM 0 HE2 PHE A 37 1.408 -16.801 4.463 1.00 0.00 H new ATOM 0 HZ PHE A 37 -0.952 -17.440 4.055 1.00 0.00 H new ATOM 545 N LEU A 38 4.437 -21.750 8.566 1.00 0.00 N ATOM 546 CA LEU A 38 5.376 -22.272 9.596 1.00 0.00 C ATOM 547 C LEU A 38 6.066 -21.098 10.287 1.00 0.00 C ATOM 548 O LEU A 38 6.715 -20.291 9.651 1.00 0.00 O ATOM 549 CB LEU A 38 6.389 -23.119 8.825 1.00 0.00 C ATOM 550 CG LEU A 38 6.453 -24.519 9.438 1.00 0.00 C ATOM 551 CD1 LEU A 38 6.652 -24.405 10.950 1.00 0.00 C ATOM 552 CD2 LEU A 38 5.145 -25.260 9.151 1.00 0.00 C ATOM 0 H LEU A 38 4.862 -21.503 7.673 1.00 0.00 H new ATOM 0 HA LEU A 38 4.875 -22.858 10.367 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.102 -23.183 7.775 1.00 0.00 H new ATOM 0 HB3 LEU A 38 7.372 -22.650 8.859 1.00 0.00 H new ATOM 0 HG LEU A 38 7.287 -25.069 9.002 1.00 0.00 H new ATOM 0 HD11 LEU A 38 6.698 -25.402 11.387 1.00 0.00 H new ATOM 0 HD12 LEU A 38 7.582 -23.876 11.156 1.00 0.00 H new ATOM 0 HD13 LEU A 38 5.818 -23.855 11.386 1.00 0.00 H new ATOM 0 HD21 LEU A 38 5.189 -26.258 9.587 1.00 0.00 H new ATOM 0 HD22 LEU A 38 4.312 -24.710 9.588 1.00 0.00 H new ATOM 0 HD23 LEU A 38 5.002 -25.341 8.074 1.00 0.00 H new ATOM 564 N THR A 39 5.915 -20.981 11.578 1.00 0.00 N ATOM 565 CA THR A 39 6.548 -19.839 12.298 1.00 0.00 C ATOM 566 C THR A 39 7.940 -20.218 12.798 1.00 0.00 C ATOM 567 O THR A 39 8.226 -21.366 13.068 1.00 0.00 O ATOM 568 CB THR A 39 5.625 -19.538 13.484 1.00 0.00 C ATOM 569 OG1 THR A 39 5.796 -20.537 14.478 1.00 0.00 O ATOM 570 CG2 THR A 39 4.166 -19.520 13.025 1.00 0.00 C ATOM 0 H THR A 39 5.383 -21.624 12.164 1.00 0.00 H new ATOM 0 HA THR A 39 6.670 -18.975 11.645 1.00 0.00 H new ATOM 0 HB THR A 39 5.879 -18.561 13.895 1.00 0.00 H new ATOM 0 HG1 THR A 39 5.785 -20.121 15.365 1.00 0.00 H new ATOM 0 HG21 THR A 39 3.520 -19.305 13.876 1.00 0.00 H new ATOM 0 HG22 THR A 39 4.033 -18.750 12.265 1.00 0.00 H new ATOM 0 HG23 THR A 39 3.904 -20.492 12.607 1.00 0.00 H new ATOM 578 N LYS A 40 8.804 -19.251 12.925 1.00 0.00 N ATOM 579 CA LYS A 40 10.182 -19.540 13.414 1.00 0.00 C ATOM 580 C LYS A 40 10.134 -20.042 14.861 1.00 0.00 C ATOM 581 O LYS A 40 10.971 -20.810 15.290 1.00 0.00 O ATOM 582 CB LYS A 40 10.918 -18.203 13.338 1.00 0.00 C ATOM 583 CG LYS A 40 12.409 -18.426 13.596 1.00 0.00 C ATOM 584 CD LYS A 40 13.211 -17.988 12.370 1.00 0.00 C ATOM 585 CE LYS A 40 14.510 -17.320 12.824 1.00 0.00 C ATOM 586 NZ LYS A 40 14.673 -16.146 11.920 1.00 0.00 N ATOM 0 H LYS A 40 8.616 -18.271 12.711 1.00 0.00 H new ATOM 0 HA LYS A 40 10.676 -20.312 12.824 1.00 0.00 H new ATOM 0 HB2 LYS A 40 10.771 -17.750 12.357 1.00 0.00 H new ATOM 0 HB3 LYS A 40 10.511 -17.509 14.073 1.00 0.00 H new ATOM 0 HG2 LYS A 40 12.726 -17.860 14.472 1.00 0.00 H new ATOM 0 HG3 LYS A 40 12.598 -19.478 13.811 1.00 0.00 H new ATOM 0 HD2 LYS A 40 13.433 -18.850 11.740 1.00 0.00 H new ATOM 0 HD3 LYS A 40 12.624 -17.295 11.767 1.00 0.00 H new ATOM 0 HE2 LYS A 40 14.451 -17.010 13.867 1.00 0.00 H new ATOM 0 HE3 LYS A 40 15.355 -18.003 12.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 15.544 -15.635 12.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 14.732 -16.472 10.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 13.857 -15.511 12.026 1.00 0.00 H new ATOM 600 N LYS A 41 9.158 -19.613 15.616 1.00 0.00 N ATOM 601 CA LYS A 41 9.057 -20.065 17.035 1.00 0.00 C ATOM 602 C LYS A 41 8.656 -21.541 17.096 1.00 0.00 C ATOM 603 O LYS A 41 8.598 -22.137 18.153 1.00 0.00 O ATOM 604 CB LYS A 41 7.970 -19.186 17.656 1.00 0.00 C ATOM 605 CG LYS A 41 8.421 -18.727 19.044 1.00 0.00 C ATOM 606 CD LYS A 41 9.452 -17.607 18.901 1.00 0.00 C ATOM 607 CE LYS A 41 9.702 -16.969 20.268 1.00 0.00 C ATOM 608 NZ LYS A 41 10.233 -15.610 19.963 1.00 0.00 N ATOM 0 H LYS A 41 8.427 -18.970 15.312 1.00 0.00 H new ATOM 0 HA LYS A 41 10.006 -19.974 17.564 1.00 0.00 H new ATOM 0 HB2 LYS A 41 7.777 -18.322 17.020 1.00 0.00 H new ATOM 0 HB3 LYS A 41 7.035 -19.742 17.730 1.00 0.00 H new ATOM 0 HG2 LYS A 41 7.564 -18.376 19.619 1.00 0.00 H new ATOM 0 HG3 LYS A 41 8.852 -19.564 19.593 1.00 0.00 H new ATOM 0 HD2 LYS A 41 10.383 -18.004 18.497 1.00 0.00 H new ATOM 0 HD3 LYS A 41 9.094 -16.856 18.197 1.00 0.00 H new ATOM 0 HE2 LYS A 41 8.783 -16.913 20.852 1.00 0.00 H new ATOM 0 HE3 LYS A 41 10.416 -17.551 20.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 10.430 -15.107 20.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 11.111 -15.696 19.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 9.529 -15.078 19.413 1.00 0.00 H new ATOM 622 N GLY A 42 8.382 -22.134 15.969 1.00 0.00 N ATOM 623 CA GLY A 42 7.988 -23.571 15.955 1.00 0.00 C ATOM 624 C GLY A 42 6.477 -23.690 16.174 1.00 0.00 C ATOM 625 O GLY A 42 6.025 -24.316 17.113 1.00 0.00 O ATOM 0 H GLY A 42 8.414 -21.685 15.054 1.00 0.00 H new ATOM 0 HA2 GLY A 42 8.265 -24.025 15.004 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.523 -24.113 16.735 1.00 0.00 H new ATOM 629 N ARG A 43 5.694 -23.099 15.315 1.00 0.00 N ATOM 630 CA ARG A 43 4.215 -23.179 15.473 1.00 0.00 C ATOM 631 C ARG A 43 3.545 -23.111 14.100 1.00 0.00 C ATOM 632 O ARG A 43 3.752 -22.183 13.345 1.00 0.00 O ATOM 633 CB ARG A 43 3.841 -21.961 16.316 1.00 0.00 C ATOM 634 CG ARG A 43 2.450 -22.159 16.919 1.00 0.00 C ATOM 635 CD ARG A 43 2.548 -23.081 18.135 1.00 0.00 C ATOM 636 NE ARG A 43 3.578 -22.454 19.009 1.00 0.00 N ATOM 637 CZ ARG A 43 3.221 -21.601 19.931 1.00 0.00 C ATOM 638 NH1 ARG A 43 2.069 -20.995 19.848 1.00 0.00 N ATOM 639 NH2 ARG A 43 4.017 -21.357 20.937 1.00 0.00 N ATOM 0 H ARG A 43 6.015 -22.563 14.509 1.00 0.00 H new ATOM 0 HA ARG A 43 3.893 -24.109 15.942 1.00 0.00 H new ATOM 0 HB2 ARG A 43 4.575 -21.817 17.109 1.00 0.00 H new ATOM 0 HB3 ARG A 43 3.856 -21.062 15.700 1.00 0.00 H new ATOM 0 HG2 ARG A 43 2.029 -21.197 17.211 1.00 0.00 H new ATOM 0 HG3 ARG A 43 1.778 -22.589 16.176 1.00 0.00 H new ATOM 0 HD2 ARG A 43 1.590 -23.161 18.648 1.00 0.00 H new ATOM 0 HD3 ARG A 43 2.839 -24.090 17.843 1.00 0.00 H new ATOM 0 HE ARG A 43 4.563 -22.691 18.887 1.00 0.00 H new ATOM 0 HH11 ARG A 43 1.447 -21.187 19.063 1.00 0.00 H new ATOM 0 HH12 ARG A 43 1.790 -20.329 20.568 1.00 0.00 H new ATOM 0 HH21 ARG A 43 4.917 -21.833 21.002 1.00 0.00 H new ATOM 0 HH22 ARG A 43 3.739 -20.691 21.658 1.00 0.00 H new ATOM 653 N GLN A 44 2.750 -24.088 13.765 1.00 0.00 N ATOM 654 CA GLN A 44 2.079 -24.072 12.434 1.00 0.00 C ATOM 655 C GLN A 44 0.687 -23.444 12.545 1.00 0.00 C ATOM 656 O GLN A 44 -0.065 -23.729 13.455 1.00 0.00 O ATOM 657 CB GLN A 44 1.978 -25.540 12.016 1.00 0.00 C ATOM 658 CG GLN A 44 3.302 -26.250 12.311 1.00 0.00 C ATOM 659 CD GLN A 44 3.153 -27.748 12.033 1.00 0.00 C ATOM 660 OE1 GLN A 44 2.939 -28.528 12.940 1.00 0.00 O ATOM 661 NE2 GLN A 44 3.258 -28.186 10.807 1.00 0.00 N ATOM 0 H GLN A 44 2.536 -24.894 14.352 1.00 0.00 H new ATOM 0 HA GLN A 44 2.633 -23.481 11.704 1.00 0.00 H new ATOM 0 HB2 GLN A 44 1.165 -26.027 12.554 1.00 0.00 H new ATOM 0 HB3 GLN A 44 1.744 -25.611 10.954 1.00 0.00 H new ATOM 0 HG2 GLN A 44 4.096 -25.832 11.693 1.00 0.00 H new ATOM 0 HG3 GLN A 44 3.589 -26.089 13.350 1.00 0.00 H new ATOM 0 HE21 GLN A 44 3.438 -27.532 10.045 1.00 0.00 H new ATOM 0 HE22 GLN A 44 3.160 -29.182 10.611 1.00 0.00 H new ATOM 670 N VAL A 45 0.342 -22.593 11.618 1.00 0.00 N ATOM 671 CA VAL A 45 -0.997 -21.943 11.650 1.00 0.00 C ATOM 672 C VAL A 45 -1.857 -22.481 10.507 1.00 0.00 C ATOM 673 O VAL A 45 -1.348 -22.919 9.495 1.00 0.00 O ATOM 674 CB VAL A 45 -0.718 -20.452 11.454 1.00 0.00 C ATOM 675 CG1 VAL A 45 -2.043 -19.698 11.340 1.00 0.00 C ATOM 676 CG2 VAL A 45 0.072 -19.921 12.652 1.00 0.00 C ATOM 0 H VAL A 45 0.935 -22.319 10.835 1.00 0.00 H new ATOM 0 HA VAL A 45 -1.534 -22.136 12.579 1.00 0.00 H new ATOM 0 HB VAL A 45 -0.138 -20.305 10.543 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -1.846 -18.635 11.200 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -2.606 -20.078 10.487 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -2.624 -19.843 12.251 1.00 0.00 H new ATOM 0 HG21 VAL A 45 0.272 -18.858 12.514 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -0.508 -20.066 13.563 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.016 -20.460 12.733 1.00 0.00 H new ATOM 686 N CYS A 46 -3.153 -22.451 10.653 1.00 0.00 N ATOM 687 CA CYS A 46 -4.027 -22.966 9.559 1.00 0.00 C ATOM 688 C CYS A 46 -4.680 -21.798 8.825 1.00 0.00 C ATOM 689 O CYS A 46 -5.155 -20.864 9.433 1.00 0.00 O ATOM 690 CB CYS A 46 -5.087 -23.819 10.260 1.00 0.00 C ATOM 691 SG CYS A 46 -4.648 -25.571 10.131 1.00 0.00 S ATOM 0 H CYS A 46 -3.642 -22.096 11.474 1.00 0.00 H new ATOM 0 HA CYS A 46 -3.470 -23.542 8.820 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -5.164 -23.530 11.308 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -6.064 -23.645 9.809 1.00 0.00 H new ATOM 696 N ALA A 47 -4.712 -21.835 7.525 1.00 0.00 N ATOM 697 CA ALA A 47 -5.345 -20.714 6.775 1.00 0.00 C ATOM 698 C ALA A 47 -6.212 -21.253 5.637 1.00 0.00 C ATOM 699 O ALA A 47 -5.997 -22.339 5.137 1.00 0.00 O ATOM 700 CB ALA A 47 -4.182 -19.894 6.223 1.00 0.00 C ATOM 0 H ALA A 47 -4.331 -22.587 6.950 1.00 0.00 H new ATOM 0 HA ALA A 47 -5.998 -20.116 7.410 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -4.570 -19.048 5.656 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -3.570 -19.529 7.048 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.574 -20.519 5.570 1.00 0.00 H new ATOM 706 N LYS A 48 -7.190 -20.496 5.225 1.00 0.00 N ATOM 707 CA LYS A 48 -8.073 -20.957 4.116 1.00 0.00 C ATOM 708 C LYS A 48 -7.284 -21.005 2.804 1.00 0.00 C ATOM 709 O LYS A 48 -6.127 -20.634 2.762 1.00 0.00 O ATOM 710 CB LYS A 48 -9.185 -19.910 4.032 1.00 0.00 C ATOM 711 CG LYS A 48 -10.513 -20.538 4.466 1.00 0.00 C ATOM 712 CD LYS A 48 -11.162 -19.663 5.543 1.00 0.00 C ATOM 713 CE LYS A 48 -12.682 -19.670 5.357 1.00 0.00 C ATOM 714 NZ LYS A 48 -13.119 -21.027 5.794 1.00 0.00 N ATOM 0 H LYS A 48 -7.417 -19.578 5.608 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.469 -21.958 4.290 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.947 -19.059 4.671 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.266 -19.531 3.013 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -11.180 -20.634 3.609 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -10.344 -21.543 4.852 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -10.904 -20.036 6.534 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -10.781 -18.644 5.477 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -13.156 -18.891 5.955 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -12.953 -19.484 4.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -13.448 -21.568 4.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -12.320 -21.523 6.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -13.895 -20.937 6.481 1.00 0.00 H new ATOM 728 N PRO A 49 -7.943 -21.458 1.775 1.00 0.00 N ATOM 729 CA PRO A 49 -7.300 -21.554 0.442 1.00 0.00 C ATOM 730 C PRO A 49 -7.115 -20.156 -0.156 1.00 0.00 C ATOM 731 O PRO A 49 -6.160 -19.891 -0.857 1.00 0.00 O ATOM 732 CB PRO A 49 -8.296 -22.370 -0.378 1.00 0.00 C ATOM 733 CG PRO A 49 -9.616 -22.147 0.291 1.00 0.00 C ATOM 734 CD PRO A 49 -9.337 -21.918 1.753 1.00 0.00 C ATOM 0 HA PRO A 49 -6.310 -22.008 0.472 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -8.318 -22.039 -1.416 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -8.030 -23.427 -0.386 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -10.128 -21.288 -0.143 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -10.268 -23.009 0.154 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -10.011 -21.174 2.177 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -9.466 -22.832 2.333 1.00 0.00 H new ATOM 742 N SER A 50 -8.026 -19.263 0.119 1.00 0.00 N ATOM 743 CA SER A 50 -7.908 -17.881 -0.428 1.00 0.00 C ATOM 744 C SER A 50 -8.422 -16.865 0.594 1.00 0.00 C ATOM 745 O SER A 50 -9.199 -15.987 0.274 1.00 0.00 O ATOM 746 CB SER A 50 -8.789 -17.876 -1.679 1.00 0.00 C ATOM 747 OG SER A 50 -8.273 -18.802 -2.625 1.00 0.00 O ATOM 0 H SER A 50 -8.848 -19.431 0.699 1.00 0.00 H new ATOM 0 HA SER A 50 -6.877 -17.611 -0.654 1.00 0.00 H new ATOM 0 HB2 SER A 50 -9.813 -18.141 -1.417 1.00 0.00 H new ATOM 0 HB3 SER A 50 -8.819 -16.876 -2.112 1.00 0.00 H new ATOM 0 HG SER A 50 -8.838 -18.800 -3.426 1.00 0.00 H new ATOM 753 N GLY A 51 -7.995 -16.977 1.823 1.00 0.00 N ATOM 754 CA GLY A 51 -8.461 -16.019 2.864 1.00 0.00 C ATOM 755 C GLY A 51 -7.825 -14.650 2.618 1.00 0.00 C ATOM 756 O GLY A 51 -6.695 -14.559 2.179 1.00 0.00 O ATOM 0 H GLY A 51 -7.344 -17.691 2.150 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.548 -15.937 2.838 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -8.193 -16.384 3.855 1.00 0.00 H new ATOM 760 N PRO A 52 -8.578 -13.626 2.913 1.00 0.00 N ATOM 761 CA PRO A 52 -8.087 -12.238 2.726 1.00 0.00 C ATOM 762 C PRO A 52 -6.992 -11.921 3.748 1.00 0.00 C ATOM 763 O PRO A 52 -7.262 -11.490 4.851 1.00 0.00 O ATOM 764 CB PRO A 52 -9.330 -11.384 2.963 1.00 0.00 C ATOM 765 CG PRO A 52 -10.217 -12.229 3.822 1.00 0.00 C ATOM 766 CD PRO A 52 -9.945 -13.662 3.448 1.00 0.00 C ATOM 0 HA PRO A 52 -7.643 -12.064 1.746 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -9.077 -10.446 3.458 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -9.818 -11.127 2.023 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -10.009 -12.059 4.878 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -11.265 -11.979 3.659 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -10.020 -14.323 4.312 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -10.656 -14.025 2.706 1.00 0.00 H new ATOM 774 N GLY A 53 -5.758 -12.138 3.387 1.00 0.00 N ATOM 775 CA GLY A 53 -4.637 -11.861 4.329 1.00 0.00 C ATOM 776 C GLY A 53 -3.566 -12.938 4.150 1.00 0.00 C ATOM 777 O GLY A 53 -2.388 -12.698 4.337 1.00 0.00 O ATOM 0 H GLY A 53 -5.476 -12.497 2.475 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -4.216 -10.874 4.135 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -5.000 -11.857 5.357 1.00 0.00 H new ATOM 781 N VAL A 54 -3.968 -14.123 3.781 1.00 0.00 N ATOM 782 CA VAL A 54 -2.980 -15.219 3.578 1.00 0.00 C ATOM 783 C VAL A 54 -1.983 -14.816 2.495 1.00 0.00 C ATOM 784 O VAL A 54 -0.802 -15.082 2.593 1.00 0.00 O ATOM 785 CB VAL A 54 -3.812 -16.424 3.132 1.00 0.00 C ATOM 786 CG1 VAL A 54 -2.885 -17.548 2.666 1.00 0.00 C ATOM 787 CG2 VAL A 54 -4.664 -16.917 4.304 1.00 0.00 C ATOM 0 H VAL A 54 -4.940 -14.380 3.611 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.404 -15.440 4.477 1.00 0.00 H new ATOM 0 HB VAL A 54 -4.461 -16.129 2.308 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.481 -18.404 2.349 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.280 -17.198 1.829 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -2.232 -17.845 3.487 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.257 -17.775 3.987 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -4.014 -17.210 5.129 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.329 -16.118 4.632 1.00 0.00 H new ATOM 797 N GLN A 55 -2.445 -14.164 1.465 1.00 0.00 N ATOM 798 CA GLN A 55 -1.513 -13.735 0.388 1.00 0.00 C ATOM 799 C GLN A 55 -0.569 -12.675 0.945 1.00 0.00 C ATOM 800 O GLN A 55 0.526 -12.484 0.459 1.00 0.00 O ATOM 801 CB GLN A 55 -2.401 -13.150 -0.711 1.00 0.00 C ATOM 802 CG GLN A 55 -1.550 -12.838 -1.943 1.00 0.00 C ATOM 803 CD GLN A 55 -1.614 -14.016 -2.917 1.00 0.00 C ATOM 804 OE1 GLN A 55 -2.661 -14.320 -3.454 1.00 0.00 O ATOM 805 NE2 GLN A 55 -0.530 -14.697 -3.170 1.00 0.00 N ATOM 0 H GLN A 55 -3.423 -13.911 1.323 1.00 0.00 H new ATOM 0 HA GLN A 55 -0.904 -14.553 0.004 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -3.190 -13.856 -0.970 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -2.890 -12.243 -0.354 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -1.911 -11.931 -2.428 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -0.517 -12.652 -1.648 1.00 0.00 H new ATOM 0 HE21 GLN A 55 0.349 -14.442 -2.720 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -0.562 -15.484 -3.818 1.00 0.00 H new ATOM 814 N ASP A 56 -0.982 -12.000 1.982 1.00 0.00 N ATOM 815 CA ASP A 56 -0.101 -10.972 2.594 1.00 0.00 C ATOM 816 C ASP A 56 1.079 -11.670 3.265 1.00 0.00 C ATOM 817 O ASP A 56 2.213 -11.253 3.141 1.00 0.00 O ATOM 818 CB ASP A 56 -0.973 -10.260 3.630 1.00 0.00 C ATOM 819 CG ASP A 56 -0.366 -8.895 3.960 1.00 0.00 C ATOM 820 OD1 ASP A 56 -0.080 -8.156 3.033 1.00 0.00 O ATOM 821 OD2 ASP A 56 -0.201 -8.611 5.135 1.00 0.00 O ATOM 0 H ASP A 56 -1.891 -12.117 2.430 1.00 0.00 H new ATOM 0 HA ASP A 56 0.301 -10.267 1.867 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -1.985 -10.136 3.245 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -1.048 -10.864 4.534 1.00 0.00 H new ATOM 826 N CYS A 57 0.821 -12.745 3.963 1.00 0.00 N ATOM 827 CA CYS A 57 1.935 -13.478 4.621 1.00 0.00 C ATOM 828 C CYS A 57 2.867 -14.044 3.550 1.00 0.00 C ATOM 829 O CYS A 57 4.076 -13.945 3.642 1.00 0.00 O ATOM 830 CB CYS A 57 1.268 -14.606 5.408 1.00 0.00 C ATOM 831 SG CYS A 57 0.315 -13.931 6.796 1.00 0.00 S ATOM 0 H CYS A 57 -0.108 -13.143 4.104 1.00 0.00 H new ATOM 0 HA CYS A 57 2.532 -12.840 5.273 1.00 0.00 H new ATOM 0 HB2 CYS A 57 0.612 -15.177 4.752 1.00 0.00 H new ATOM 0 HB3 CYS A 57 2.026 -15.296 5.780 1.00 0.00 H new ATOM 836 N MET A 58 2.309 -14.625 2.524 1.00 0.00 N ATOM 837 CA MET A 58 3.158 -15.184 1.436 1.00 0.00 C ATOM 838 C MET A 58 3.880 -14.047 0.715 1.00 0.00 C ATOM 839 O MET A 58 4.949 -14.226 0.166 1.00 0.00 O ATOM 840 CB MET A 58 2.191 -15.888 0.485 1.00 0.00 C ATOM 841 CG MET A 58 1.167 -16.691 1.291 1.00 0.00 C ATOM 842 SD MET A 58 1.150 -18.405 0.711 1.00 0.00 S ATOM 843 CE MET A 58 0.157 -18.136 -0.777 1.00 0.00 C ATOM 0 H MET A 58 1.304 -14.736 2.392 1.00 0.00 H new ATOM 0 HA MET A 58 3.917 -15.869 1.814 1.00 0.00 H new ATOM 0 HB2 MET A 58 1.682 -15.154 -0.140 1.00 0.00 H new ATOM 0 HB3 MET A 58 2.741 -16.550 -0.184 1.00 0.00 H new ATOM 0 HG2 MET A 58 1.416 -16.658 2.352 1.00 0.00 H new ATOM 0 HG3 MET A 58 0.176 -16.250 1.182 1.00 0.00 H new ATOM 0 HE1 MET A 58 0.020 -19.083 -1.299 1.00 0.00 H new ATOM 0 HE2 MET A 58 -0.816 -17.732 -0.497 1.00 0.00 H new ATOM 0 HE3 MET A 58 0.668 -17.431 -1.433 1.00 0.00 H new ATOM 853 N LYS A 59 3.312 -12.870 0.725 1.00 0.00 N ATOM 854 CA LYS A 59 3.980 -11.724 0.053 1.00 0.00 C ATOM 855 C LYS A 59 5.261 -11.390 0.811 1.00 0.00 C ATOM 856 O LYS A 59 6.319 -11.230 0.236 1.00 0.00 O ATOM 857 CB LYS A 59 2.982 -10.572 0.155 1.00 0.00 C ATOM 858 CG LYS A 59 2.328 -10.339 -1.207 1.00 0.00 C ATOM 859 CD LYS A 59 2.303 -8.839 -1.504 1.00 0.00 C ATOM 860 CE LYS A 59 2.070 -8.619 -3.000 1.00 0.00 C ATOM 861 NZ LYS A 59 3.196 -7.747 -3.436 1.00 0.00 N ATOM 0 H LYS A 59 2.419 -12.656 1.168 1.00 0.00 H new ATOM 0 HA LYS A 59 4.248 -11.930 -0.983 1.00 0.00 H new ATOM 0 HB2 LYS A 59 2.221 -10.802 0.901 1.00 0.00 H new ATOM 0 HB3 LYS A 59 3.489 -9.666 0.486 1.00 0.00 H new ATOM 0 HG2 LYS A 59 2.881 -10.866 -1.984 1.00 0.00 H new ATOM 0 HG3 LYS A 59 1.314 -10.739 -1.210 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.514 -8.356 -0.927 1.00 0.00 H new ATOM 0 HD3 LYS A 59 3.245 -8.382 -1.201 1.00 0.00 H new ATOM 0 HE2 LYS A 59 2.068 -9.564 -3.543 1.00 0.00 H new ATOM 0 HE3 LYS A 59 1.107 -8.143 -3.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 3.228 -7.715 -4.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 3.055 -6.786 -3.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 4.092 -8.131 -3.074 1.00 0.00 H new ATOM 875 N LYS A 60 5.166 -11.299 2.108 1.00 0.00 N ATOM 876 CA LYS A 60 6.367 -10.992 2.926 1.00 0.00 C ATOM 877 C LYS A 60 7.335 -12.178 2.897 1.00 0.00 C ATOM 878 O LYS A 60 8.506 -12.041 3.194 1.00 0.00 O ATOM 879 CB LYS A 60 5.833 -10.766 4.340 1.00 0.00 C ATOM 880 CG LYS A 60 6.305 -9.404 4.849 1.00 0.00 C ATOM 881 CD LYS A 60 7.834 -9.380 4.891 1.00 0.00 C ATOM 882 CE LYS A 60 8.338 -8.026 4.389 1.00 0.00 C ATOM 883 NZ LYS A 60 9.474 -7.686 5.290 1.00 0.00 N ATOM 0 H LYS A 60 4.303 -11.425 2.637 1.00 0.00 H new ATOM 0 HA LYS A 60 6.914 -10.125 2.556 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.744 -10.809 4.341 1.00 0.00 H new ATOM 0 HB3 LYS A 60 6.184 -11.556 5.004 1.00 0.00 H new ATOM 0 HG2 LYS A 60 5.936 -8.612 4.198 1.00 0.00 H new ATOM 0 HG3 LYS A 60 5.900 -9.214 5.843 1.00 0.00 H new ATOM 0 HD2 LYS A 60 8.183 -9.555 5.909 1.00 0.00 H new ATOM 0 HD3 LYS A 60 8.238 -10.182 4.273 1.00 0.00 H new ATOM 0 HE2 LYS A 60 8.661 -8.085 3.350 1.00 0.00 H new ATOM 0 HE3 LYS A 60 7.555 -7.270 4.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 9.876 -6.768 5.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 9.134 -7.631 6.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 10.206 -8.421 5.218 1.00 0.00 H new ATOM 897 N LEU A 61 6.859 -13.343 2.540 1.00 0.00 N ATOM 898 CA LEU A 61 7.764 -14.529 2.497 1.00 0.00 C ATOM 899 C LEU A 61 8.694 -14.444 1.285 1.00 0.00 C ATOM 900 O LEU A 61 9.594 -15.244 1.124 1.00 0.00 O ATOM 901 CB LEU A 61 6.837 -15.741 2.374 1.00 0.00 C ATOM 902 CG LEU A 61 7.140 -16.741 3.496 1.00 0.00 C ATOM 903 CD1 LEU A 61 8.656 -16.902 3.653 1.00 0.00 C ATOM 904 CD2 LEU A 61 6.541 -16.230 4.807 1.00 0.00 C ATOM 0 H LEU A 61 5.890 -13.523 2.278 1.00 0.00 H new ATOM 0 HA LEU A 61 8.398 -14.590 3.382 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.796 -15.422 2.430 1.00 0.00 H new ATOM 0 HB3 LEU A 61 6.973 -16.217 1.403 1.00 0.00 H new ATOM 0 HG LEU A 61 6.702 -17.707 3.246 1.00 0.00 H new ATOM 0 HD11 LEU A 61 8.866 -17.614 4.452 1.00 0.00 H new ATOM 0 HD12 LEU A 61 9.082 -17.269 2.719 1.00 0.00 H new ATOM 0 HD13 LEU A 61 9.101 -15.938 3.900 1.00 0.00 H new ATOM 0 HD21 LEU A 61 6.755 -16.940 5.606 1.00 0.00 H new ATOM 0 HD22 LEU A 61 6.978 -15.263 5.054 1.00 0.00 H new ATOM 0 HD23 LEU A 61 5.462 -16.123 4.697 1.00 0.00 H new ATOM 916 N LYS A 62 8.482 -13.482 0.435 1.00 0.00 N ATOM 917 CA LYS A 62 9.352 -13.346 -0.769 1.00 0.00 C ATOM 918 C LYS A 62 9.130 -11.982 -1.433 1.00 0.00 C ATOM 919 O LYS A 62 8.018 -11.634 -1.777 1.00 0.00 O ATOM 920 CB LYS A 62 8.906 -14.473 -1.699 1.00 0.00 C ATOM 921 CG LYS A 62 10.068 -15.444 -1.918 1.00 0.00 C ATOM 922 CD LYS A 62 11.057 -14.839 -2.915 1.00 0.00 C ATOM 923 CE LYS A 62 11.580 -15.938 -3.843 1.00 0.00 C ATOM 924 NZ LYS A 62 13.063 -15.798 -3.802 1.00 0.00 N ATOM 0 H LYS A 62 7.745 -12.782 0.519 1.00 0.00 H new ATOM 0 HA LYS A 62 10.412 -13.409 -0.525 1.00 0.00 H new ATOM 0 HB2 LYS A 62 8.055 -14.999 -1.268 1.00 0.00 H new ATOM 0 HB3 LYS A 62 8.576 -14.062 -2.653 1.00 0.00 H new ATOM 0 HG2 LYS A 62 10.568 -15.648 -0.971 1.00 0.00 H new ATOM 0 HG3 LYS A 62 9.694 -16.397 -2.293 1.00 0.00 H new ATOM 0 HD2 LYS A 62 10.570 -14.057 -3.498 1.00 0.00 H new ATOM 0 HD3 LYS A 62 11.886 -14.372 -2.384 1.00 0.00 H new ATOM 0 HE2 LYS A 62 11.266 -16.925 -3.503 1.00 0.00 H new ATOM 0 HE3 LYS A 62 11.199 -15.814 -4.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 13.497 -16.518 -4.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 13.332 -14.851 -4.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 13.397 -15.927 -2.826 1.00 0.00 H new ATOM 938 N PRO A 63 10.203 -11.253 -1.589 1.00 0.00 N ATOM 939 CA PRO A 63 10.126 -9.913 -2.218 1.00 0.00 C ATOM 940 C PRO A 63 9.913 -10.041 -3.730 1.00 0.00 C ATOM 941 O PRO A 63 10.852 -10.037 -4.500 1.00 0.00 O ATOM 942 CB PRO A 63 11.487 -9.297 -1.913 1.00 0.00 C ATOM 943 CG PRO A 63 12.406 -10.462 -1.718 1.00 0.00 C ATOM 944 CD PRO A 63 11.572 -11.605 -1.198 1.00 0.00 C ATOM 0 HA PRO A 63 9.297 -9.312 -1.845 1.00 0.00 H new ATOM 0 HB2 PRO A 63 11.824 -8.661 -2.731 1.00 0.00 H new ATOM 0 HB3 PRO A 63 11.446 -8.673 -1.020 1.00 0.00 H new ATOM 0 HG2 PRO A 63 12.888 -10.733 -2.657 1.00 0.00 H new ATOM 0 HG3 PRO A 63 13.199 -10.213 -1.013 1.00 0.00 H new ATOM 0 HD2 PRO A 63 11.880 -12.555 -1.635 1.00 0.00 H new ATOM 0 HD3 PRO A 63 11.664 -11.707 -0.117 1.00 0.00 H new ATOM 952 N TYR A 64 8.686 -10.153 -4.160 1.00 0.00 N ATOM 953 CA TYR A 64 8.416 -10.280 -5.622 1.00 0.00 C ATOM 954 C TYR A 64 8.112 -8.907 -6.225 1.00 0.00 C ATOM 955 O TYR A 64 8.999 -8.190 -6.643 1.00 0.00 O ATOM 956 CB TYR A 64 7.201 -11.204 -5.725 1.00 0.00 C ATOM 957 CG TYR A 64 7.660 -12.606 -6.051 1.00 0.00 C ATOM 958 CD1 TYR A 64 8.415 -13.331 -5.121 1.00 0.00 C ATOM 959 CD2 TYR A 64 7.326 -13.181 -7.282 1.00 0.00 C ATOM 960 CE1 TYR A 64 8.837 -14.631 -5.425 1.00 0.00 C ATOM 961 CE2 TYR A 64 7.747 -14.481 -7.586 1.00 0.00 C ATOM 962 CZ TYR A 64 8.503 -15.206 -6.656 1.00 0.00 C ATOM 963 OH TYR A 64 8.918 -16.489 -6.955 1.00 0.00 O ATOM 0 H TYR A 64 7.859 -10.162 -3.563 1.00 0.00 H new ATOM 0 HA TYR A 64 9.271 -10.679 -6.168 1.00 0.00 H new ATOM 0 HB2 TYR A 64 6.647 -11.200 -4.786 1.00 0.00 H new ATOM 0 HB3 TYR A 64 6.521 -10.844 -6.497 1.00 0.00 H new ATOM 0 HD1 TYR A 64 8.672 -12.888 -4.170 1.00 0.00 H new ATOM 0 HD2 TYR A 64 6.743 -12.621 -7.998 1.00 0.00 H new ATOM 0 HE1 TYR A 64 9.421 -15.190 -4.709 1.00 0.00 H new ATOM 0 HE2 TYR A 64 7.489 -14.924 -8.536 1.00 0.00 H new ATOM 0 HH TYR A 64 8.600 -16.736 -7.849 1.00 0.00 H new ATOM 973 N SER A 65 6.867 -8.539 -6.271 1.00 0.00 N ATOM 974 CA SER A 65 6.497 -7.214 -6.847 1.00 0.00 C ATOM 975 C SER A 65 5.844 -6.335 -5.776 1.00 0.00 C ATOM 976 O SER A 65 5.234 -6.825 -4.846 1.00 0.00 O ATOM 977 CB SER A 65 5.500 -7.530 -7.961 1.00 0.00 C ATOM 978 OG SER A 65 6.159 -7.467 -9.218 1.00 0.00 O ATOM 0 H SER A 65 6.083 -9.098 -5.934 1.00 0.00 H new ATOM 0 HA SER A 65 7.365 -6.669 -7.219 1.00 0.00 H new ATOM 0 HB2 SER A 65 5.073 -8.522 -7.811 1.00 0.00 H new ATOM 0 HB3 SER A 65 4.673 -6.820 -7.936 1.00 0.00 H new ATOM 0 HG SER A 65 5.520 -7.671 -9.933 1.00 0.00 H new ATOM 984 N ILE A 66 5.969 -5.042 -5.900 1.00 0.00 N ATOM 985 CA ILE A 66 5.355 -4.132 -4.891 1.00 0.00 C ATOM 986 C ILE A 66 4.348 -3.198 -5.568 1.00 0.00 C ATOM 987 O ILE A 66 4.528 -2.915 -6.741 1.00 0.00 O ATOM 988 CB ILE A 66 6.526 -3.332 -4.317 1.00 0.00 C ATOM 989 CG1 ILE A 66 6.008 -2.345 -3.270 1.00 0.00 C ATOM 990 CG2 ILE A 66 7.220 -2.565 -5.444 1.00 0.00 C ATOM 991 CD1 ILE A 66 7.049 -2.185 -2.160 1.00 0.00 C ATOM 992 OXT ILE A 66 3.416 -2.781 -4.900 1.00 0.00 O ATOM 0 H ILE A 66 6.470 -4.576 -6.657 1.00 0.00 H new ATOM 0 HA ILE A 66 4.814 -4.676 -4.117 1.00 0.00 H new ATOM 0 HB ILE A 66 7.237 -4.014 -3.850 1.00 0.00 H new ATOM 0 HG12 ILE A 66 5.804 -1.380 -3.734 1.00 0.00 H new ATOM 0 HG13 ILE A 66 5.067 -2.703 -2.852 1.00 0.00 H new ATOM 0 HG21 ILE A 66 8.054 -1.995 -5.036 1.00 0.00 H new ATOM 0 HG22 ILE A 66 7.591 -3.269 -6.188 1.00 0.00 H new ATOM 0 HG23 ILE A 66 6.509 -1.884 -5.912 1.00 0.00 H new ATOM 0 HD11 ILE A 66 6.680 -1.482 -1.414 1.00 0.00 H new ATOM 0 HD12 ILE A 66 7.231 -3.151 -1.689 1.00 0.00 H new ATOM 0 HD13 ILE A 66 7.979 -1.808 -2.585 1.00 0.00 H new TER 1004 ILE A 66