USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 612 hydrogens (20 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 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0172) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 69 LYS NZ :NH3+ -117:sc= 0 (180deg=-0.0252) USER MOD Single : D 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 1 3.221 14.469 -2.895 1.00 0.00 C HETATM 2 O ACE A 1 2.334 15.287 -3.098 1.00 0.00 O HETATM 3 CH3 ACE A 1 4.674 14.896 -2.914 1.00 0.00 C HETATM 0 H1 ACE A 1 5.127 14.689 -1.944 1.00 0.00 H new HETATM 0 H2 ACE A 1 5.206 14.343 -3.688 1.00 0.00 H new HETATM 0 H3 ACE A 1 4.737 15.964 -3.124 1.00 0.00 H new ATOM 7 N ALA A 2 3.009 13.182 -2.685 1.00 0.00 N ATOM 8 CA ALA A 2 1.809 12.447 -3.002 1.00 0.00 C ATOM 9 C ALA A 2 1.275 12.661 -4.403 1.00 0.00 C ATOM 10 O ALA A 2 0.212 12.147 -4.715 1.00 0.00 O ATOM 11 CB ALA A 2 0.781 12.702 -1.915 1.00 0.00 C ATOM 0 H ALA A 2 3.721 12.588 -2.260 1.00 0.00 H new ATOM 0 HA ALA A 2 2.065 11.388 -3.016 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -0.132 12.152 -2.142 1.00 0.00 H new ATOM 0 HB2 ALA A 2 1.176 12.369 -0.955 1.00 0.00 H new ATOM 0 HB3 ALA A 2 0.560 13.768 -1.866 1.00 0.00 H new ATOM 17 N LYS A 3 1.961 13.351 -5.309 1.00 0.00 N ATOM 18 CA LYS A 3 1.651 13.405 -6.718 1.00 0.00 C ATOM 19 C LYS A 3 1.697 12.047 -7.385 1.00 0.00 C ATOM 20 O LYS A 3 0.969 11.822 -8.334 1.00 0.00 O ATOM 21 CB LYS A 3 2.567 14.380 -7.417 1.00 0.00 C ATOM 22 CG LYS A 3 2.452 15.803 -6.931 1.00 0.00 C ATOM 23 CD LYS A 3 3.350 16.772 -7.665 1.00 0.00 C ATOM 24 CE LYS A 3 3.098 16.925 -9.148 1.00 0.00 C ATOM 25 NZ LYS A 3 1.751 17.368 -9.431 1.00 0.00 N ATOM 0 H LYS A 3 2.780 13.907 -5.063 1.00 0.00 H new ATOM 0 HA LYS A 3 0.622 13.754 -6.805 1.00 0.00 H new ATOM 0 HB2 LYS A 3 3.597 14.048 -7.289 1.00 0.00 H new ATOM 0 HB3 LYS A 3 2.355 14.356 -8.486 1.00 0.00 H new ATOM 0 HG2 LYS A 3 1.418 16.130 -7.035 1.00 0.00 H new ATOM 0 HG3 LYS A 3 2.691 15.835 -5.868 1.00 0.00 H new ATOM 0 HD2 LYS A 3 3.251 17.752 -7.198 1.00 0.00 H new ATOM 0 HD3 LYS A 3 4.383 16.455 -7.524 1.00 0.00 H new ATOM 0 HE2 LYS A 3 3.808 17.640 -9.564 1.00 0.00 H new ATOM 0 HE3 LYS A 3 3.277 15.972 -9.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 1.644 17.524 -10.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 1.074 16.643 -9.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 1.564 18.257 -8.924 1.00 0.00 H new ATOM 39 N ALA A 4 2.475 11.114 -6.838 1.00 0.00 N ATOM 40 CA ALA A 4 2.526 9.716 -7.191 1.00 0.00 C ATOM 41 C ALA A 4 1.289 8.931 -6.805 1.00 0.00 C ATOM 42 O ALA A 4 1.073 7.840 -7.315 1.00 0.00 O ATOM 43 CB ALA A 4 3.776 9.162 -6.526 1.00 0.00 C ATOM 0 H ALA A 4 3.126 11.341 -6.087 1.00 0.00 H new ATOM 0 HA ALA A 4 2.560 9.616 -8.276 1.00 0.00 H new ATOM 0 HB1 ALA A 4 3.871 8.101 -6.757 1.00 0.00 H new ATOM 0 HB2 ALA A 4 4.652 9.694 -6.897 1.00 0.00 H new ATOM 0 HB3 ALA A 4 3.702 9.293 -5.446 1.00 0.00 H new ATOM 49 N ALA A 5 0.521 9.425 -5.837 1.00 0.00 N ATOM 50 CA ALA A 5 -0.320 8.562 -5.043 1.00 0.00 C ATOM 51 C ALA A 5 -1.492 7.960 -5.794 1.00 0.00 C ATOM 52 O ALA A 5 -1.651 6.751 -5.796 1.00 0.00 O ATOM 53 CB ALA A 5 -0.683 9.237 -3.731 1.00 0.00 C ATOM 0 H ALA A 5 0.470 10.414 -5.592 1.00 0.00 H new ATOM 0 HA ALA A 5 0.267 7.678 -4.794 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -1.318 8.573 -3.144 1.00 0.00 H new ATOM 0 HB2 ALA A 5 0.226 9.458 -3.172 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -1.218 10.164 -3.935 1.00 0.00 H new ATOM 59 N ALA A 6 -2.300 8.761 -6.480 1.00 0.00 N ATOM 60 CA ALA A 6 -3.451 8.291 -7.216 1.00 0.00 C ATOM 61 C ALA A 6 -3.091 7.320 -8.305 1.00 0.00 C ATOM 62 O ALA A 6 -3.862 6.548 -8.610 1.00 0.00 O ATOM 63 CB ALA A 6 -4.221 9.468 -7.763 1.00 0.00 C ATOM 0 H ALA A 6 -2.165 9.770 -6.536 1.00 0.00 H new ATOM 0 HA ALA A 6 -4.084 7.739 -6.521 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -5.088 9.109 -8.317 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -4.553 10.100 -6.939 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -3.579 10.046 -8.428 1.00 0.00 H new ATOM 69 N ALA A 7 -1.930 7.310 -8.875 1.00 0.00 N ATOM 70 CA ALA A 7 -1.414 6.307 -9.771 1.00 0.00 C ATOM 71 C ALA A 7 -0.875 5.085 -9.056 1.00 0.00 C ATOM 72 O ALA A 7 -1.097 3.975 -9.495 1.00 0.00 O ATOM 73 CB ALA A 7 -0.358 6.930 -10.653 1.00 0.00 C ATOM 0 H ALA A 7 -1.258 8.061 -8.718 1.00 0.00 H new ATOM 0 HA ALA A 7 -2.244 5.947 -10.379 1.00 0.00 H new ATOM 0 HB1 ALA A 7 0.038 6.177 -11.334 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -0.799 7.744 -11.228 1.00 0.00 H new ATOM 0 HB3 ALA A 7 0.450 7.319 -10.034 1.00 0.00 H new ATOM 79 N ALA A 8 -0.225 5.238 -7.911 1.00 0.00 N ATOM 80 CA ALA A 8 0.469 4.167 -7.231 1.00 0.00 C ATOM 81 C ALA A 8 -0.496 3.278 -6.470 1.00 0.00 C ATOM 82 O ALA A 8 -0.432 2.061 -6.474 1.00 0.00 O ATOM 83 CB ALA A 8 1.527 4.788 -6.340 1.00 0.00 C ATOM 0 H ALA A 8 -0.167 6.132 -7.423 1.00 0.00 H new ATOM 0 HA ALA A 8 0.956 3.510 -7.952 1.00 0.00 H new ATOM 0 HB1 ALA A 8 2.067 4.001 -5.814 1.00 0.00 H new ATOM 0 HB2 ALA A 8 2.225 5.362 -6.950 1.00 0.00 H new ATOM 0 HB3 ALA A 8 1.051 5.448 -5.615 1.00 0.00 H new ATOM 89 N ILE A 9 -1.450 3.933 -5.821 1.00 0.00 N ATOM 90 CA ILE A 9 -2.479 3.309 -5.019 1.00 0.00 C ATOM 91 C ILE A 9 -3.532 2.654 -5.898 1.00 0.00 C ATOM 92 O ILE A 9 -3.987 1.568 -5.561 1.00 0.00 O ATOM 93 CB ILE A 9 -3.118 4.357 -4.117 1.00 0.00 C ATOM 94 CG1 ILE A 9 -2.126 5.150 -3.282 1.00 0.00 C ATOM 95 CG2 ILE A 9 -4.142 3.664 -3.232 1.00 0.00 C ATOM 96 CD1 ILE A 9 -1.583 4.455 -2.044 1.00 0.00 C ATOM 0 H ILE A 9 -1.526 4.950 -5.843 1.00 0.00 H new ATOM 0 HA ILE A 9 -2.025 2.529 -4.407 1.00 0.00 H new ATOM 0 HB ILE A 9 -3.593 5.098 -4.760 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -1.284 5.423 -3.918 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -2.605 6.078 -2.971 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -4.612 4.397 -2.577 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -4.902 3.193 -3.855 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -3.646 2.904 -2.628 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -0.886 5.118 -1.531 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -2.407 4.207 -1.375 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -1.066 3.541 -2.337 1.00 0.00 H new ATOM 108 N LYS A 10 -3.926 3.293 -6.998 1.00 0.00 N ATOM 109 CA LYS A 10 -4.967 2.769 -7.854 1.00 0.00 C ATOM 110 C LYS A 10 -4.529 1.545 -8.636 1.00 0.00 C ATOM 111 O LYS A 10 -5.342 0.675 -8.904 1.00 0.00 O ATOM 112 CB LYS A 10 -5.518 3.865 -8.747 1.00 0.00 C ATOM 113 CG LYS A 10 -6.372 4.819 -7.941 1.00 0.00 C ATOM 114 CD LYS A 10 -7.157 5.818 -8.747 1.00 0.00 C ATOM 115 CE LYS A 10 -8.257 5.139 -9.469 1.00 0.00 C ATOM 116 NZ LYS A 10 -9.123 6.113 -10.104 1.00 0.00 N ATOM 0 H LYS A 10 -3.532 4.180 -7.312 1.00 0.00 H new ATOM 0 HA LYS A 10 -5.776 2.421 -7.212 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -4.698 4.408 -9.216 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -6.110 3.426 -9.550 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -7.068 4.236 -7.338 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -5.728 5.361 -7.249 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -7.563 6.588 -8.091 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -6.500 6.320 -9.458 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -7.846 4.465 -10.220 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -8.834 4.528 -8.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -9.889 5.621 -10.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -9.530 6.740 -9.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -8.572 6.678 -10.781 1.00 0.00 H new ATOM 130 N ALA A 11 -3.230 1.425 -8.882 1.00 0.00 N ATOM 131 CA ALA A 11 -2.596 0.181 -9.250 1.00 0.00 C ATOM 132 C ALA A 11 -2.658 -0.824 -8.118 1.00 0.00 C ATOM 133 O ALA A 11 -3.298 -1.858 -8.261 1.00 0.00 O ATOM 134 CB ALA A 11 -1.190 0.491 -9.721 1.00 0.00 C ATOM 0 H ALA A 11 -2.581 2.210 -8.828 1.00 0.00 H new ATOM 0 HA ALA A 11 -3.129 -0.298 -10.072 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -0.689 -0.434 -10.005 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -1.233 1.159 -10.581 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -0.634 0.972 -8.916 1.00 0.00 H new ATOM 140 N ILE A 12 -2.068 -0.542 -6.961 1.00 0.00 N ATOM 141 CA ILE A 12 -1.905 -1.492 -5.884 1.00 0.00 C ATOM 142 C ILE A 12 -3.244 -1.979 -5.361 1.00 0.00 C ATOM 143 O ILE A 12 -3.394 -3.181 -5.182 1.00 0.00 O ATOM 144 CB ILE A 12 -0.909 -1.033 -4.827 1.00 0.00 C ATOM 145 CG1 ILE A 12 0.092 -2.082 -4.369 1.00 0.00 C ATOM 146 CG2 ILE A 12 -1.547 -0.311 -3.652 1.00 0.00 C ATOM 147 CD1 ILE A 12 -0.363 -3.276 -3.567 1.00 0.00 C ATOM 0 H ILE A 12 -1.683 0.378 -6.748 1.00 0.00 H new ATOM 0 HA ILE A 12 -1.429 -2.383 -6.294 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.316 -0.297 -5.370 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.589 -2.464 -5.261 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.850 -1.567 -3.778 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.774 -0.016 -2.943 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -2.069 0.576 -4.010 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -2.257 -0.975 -3.159 1.00 0.00 H new ATOM 0 HD11 ILE A 12 0.495 -3.908 -3.336 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -0.824 -2.937 -2.639 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.089 -3.847 -4.145 1.00 0.00 H new ATOM 159 N ALA A 13 -4.256 -1.127 -5.204 1.00 0.00 N ATOM 160 CA ALA A 13 -5.582 -1.513 -4.782 1.00 0.00 C ATOM 161 C ALA A 13 -6.287 -2.432 -5.762 1.00 0.00 C ATOM 162 O ALA A 13 -7.023 -3.337 -5.387 1.00 0.00 O ATOM 163 CB ALA A 13 -6.382 -0.257 -4.491 1.00 0.00 C ATOM 0 H ALA A 13 -4.164 -0.125 -5.374 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.492 -2.109 -3.874 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -7.387 -0.532 -4.171 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -5.892 0.312 -3.701 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -6.443 0.353 -5.392 1.00 0.00 H new ATOM 169 N ALA A 14 -6.048 -2.284 -7.062 1.00 0.00 N ATOM 170 CA ALA A 14 -6.597 -3.124 -8.099 1.00 0.00 C ATOM 171 C ALA A 14 -5.867 -4.451 -8.178 1.00 0.00 C ATOM 172 O ALA A 14 -6.469 -5.485 -8.419 1.00 0.00 O ATOM 173 CB ALA A 14 -6.547 -2.368 -9.413 1.00 0.00 C ATOM 0 H ALA A 14 -5.444 -1.547 -7.426 1.00 0.00 H new ATOM 0 HA ALA A 14 -7.635 -3.362 -7.867 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -6.959 -2.991 -10.207 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -7.133 -1.453 -9.329 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -5.513 -2.116 -9.649 1.00 0.00 H new ATOM 179 N ILE A 15 -4.560 -4.447 -7.932 1.00 0.00 N ATOM 180 CA ILE A 15 -3.694 -5.601 -7.844 1.00 0.00 C ATOM 181 C ILE A 15 -4.060 -6.397 -6.608 1.00 0.00 C ATOM 182 O ILE A 15 -4.147 -7.614 -6.714 1.00 0.00 O ATOM 183 CB ILE A 15 -2.238 -5.153 -7.903 1.00 0.00 C ATOM 184 CG1 ILE A 15 -1.871 -4.542 -9.247 1.00 0.00 C ATOM 185 CG2 ILE A 15 -1.279 -6.284 -7.587 1.00 0.00 C ATOM 186 CD1 ILE A 15 -0.642 -3.655 -9.206 1.00 0.00 C ATOM 0 H ILE A 15 -4.052 -3.576 -7.780 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.829 -6.272 -8.692 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.140 -4.384 -7.136 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -1.704 -5.344 -9.966 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -2.716 -3.958 -9.612 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -0.254 -5.918 -7.641 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -1.478 -6.660 -6.583 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.415 -7.089 -8.309 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -0.446 -3.258 -10.202 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -0.811 -2.830 -8.514 1.00 0.00 H new ATOM 0 HD13 ILE A 15 0.217 -4.238 -8.873 1.00 0.00 H new ATOM 198 N ILE A 16 -4.390 -5.752 -5.490 1.00 0.00 N ATOM 199 CA ILE A 16 -5.020 -6.326 -4.323 1.00 0.00 C ATOM 200 C ILE A 16 -6.327 -7.037 -4.631 1.00 0.00 C ATOM 201 O ILE A 16 -6.510 -8.179 -4.224 1.00 0.00 O ATOM 202 CB ILE A 16 -5.178 -5.286 -3.222 1.00 0.00 C ATOM 203 CG1 ILE A 16 -3.804 -5.004 -2.632 1.00 0.00 C ATOM 204 CG2 ILE A 16 -6.120 -5.725 -2.110 1.00 0.00 C ATOM 205 CD1 ILE A 16 -3.670 -3.800 -1.718 1.00 0.00 C ATOM 0 H ILE A 16 -4.210 -4.754 -5.378 1.00 0.00 H new ATOM 0 HA ILE A 16 -4.349 -7.104 -3.958 1.00 0.00 H new ATOM 0 HB ILE A 16 -5.618 -4.395 -3.670 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -3.489 -5.886 -2.075 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -3.102 -4.880 -3.457 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -6.187 -4.938 -1.359 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -7.109 -5.916 -2.525 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -5.739 -6.636 -1.648 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -2.640 -3.720 -1.371 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -3.940 -2.896 -2.264 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -4.333 -3.918 -0.861 1.00 0.00 H new ATOM 217 N LYS A 17 -7.250 -6.390 -5.336 1.00 0.00 N ATOM 218 CA LYS A 17 -8.524 -6.955 -5.717 1.00 0.00 C ATOM 219 C LYS A 17 -8.353 -8.226 -6.527 1.00 0.00 C ATOM 220 O LYS A 17 -9.179 -9.122 -6.454 1.00 0.00 O ATOM 221 CB LYS A 17 -9.338 -5.856 -6.375 1.00 0.00 C ATOM 222 CG LYS A 17 -10.599 -6.304 -7.080 1.00 0.00 C ATOM 223 CD LYS A 17 -11.633 -6.992 -6.227 1.00 0.00 C ATOM 224 CE LYS A 17 -12.324 -6.041 -5.294 1.00 0.00 C ATOM 225 NZ LYS A 17 -13.328 -6.719 -4.480 1.00 0.00 N ATOM 0 H LYS A 17 -7.121 -5.433 -5.663 1.00 0.00 H new ATOM 0 HA LYS A 17 -9.089 -7.297 -4.850 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -9.610 -5.125 -5.613 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -8.703 -5.342 -7.097 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -11.062 -5.431 -7.541 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -10.318 -6.980 -7.888 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -12.373 -7.469 -6.870 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -11.156 -7.783 -5.649 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -11.587 -5.568 -4.644 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -12.798 -5.246 -5.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -13.785 -6.031 -3.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -14.044 -7.149 -5.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -12.871 -7.461 -3.912 1.00 0.00 H new ATOM 239 N ALA A 18 -7.267 -8.381 -7.276 1.00 0.00 N ATOM 240 CA ALA A 18 -6.899 -9.627 -7.909 1.00 0.00 C ATOM 241 C ALA A 18 -6.209 -10.595 -6.974 1.00 0.00 C ATOM 242 O ALA A 18 -6.561 -11.751 -6.900 1.00 0.00 O ATOM 243 CB ALA A 18 -6.042 -9.336 -9.113 1.00 0.00 C ATOM 0 H ALA A 18 -6.609 -7.624 -7.459 1.00 0.00 H new ATOM 0 HA ALA A 18 -7.820 -10.123 -8.216 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -5.761 -10.273 -9.595 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -6.601 -8.719 -9.817 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -5.143 -8.805 -8.800 1.00 0.00 H new ATOM 249 N GLY A 19 -5.239 -10.121 -6.222 1.00 0.00 N ATOM 250 CA GLY A 19 -4.247 -10.931 -5.554 1.00 0.00 C ATOM 251 C GLY A 19 -4.598 -11.434 -4.173 1.00 0.00 C ATOM 252 O GLY A 19 -3.957 -12.327 -3.730 1.00 0.00 O ATOM 0 H GLY A 19 -5.116 -9.122 -6.054 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -4.031 -11.793 -6.185 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -3.327 -10.351 -5.481 1.00 0.00 H new ATOM 256 N GLY A 20 -5.580 -10.912 -3.467 1.00 0.00 N ATOM 257 CA GLY A 20 -6.054 -11.387 -2.197 1.00 0.00 C ATOM 258 C GLY A 20 -5.027 -11.250 -1.099 1.00 0.00 C ATOM 259 O GLY A 20 -4.542 -12.231 -0.608 1.00 0.00 O ATOM 0 H GLY A 20 -6.096 -10.094 -3.791 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -6.951 -10.834 -1.920 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -6.341 -12.434 -2.290 1.00 0.00 H new ATOM 263 N PHE A 21 -4.599 -10.044 -0.766 1.00 0.00 N ATOM 264 CA PHE A 21 -3.466 -9.786 0.086 1.00 0.00 C ATOM 265 C PHE A 21 -3.695 -9.989 1.565 1.00 0.00 C ATOM 266 O PHE A 21 -2.797 -10.404 2.267 1.00 0.00 O ATOM 267 CB PHE A 21 -3.054 -8.339 -0.143 1.00 0.00 C ATOM 268 CG PHE A 21 -2.218 -8.112 -1.375 1.00 0.00 C ATOM 269 CD1 PHE A 21 -2.740 -8.387 -2.639 1.00 0.00 C ATOM 270 CD2 PHE A 21 -0.970 -7.502 -1.283 1.00 0.00 C ATOM 271 CE1 PHE A 21 -2.075 -8.003 -3.807 1.00 0.00 C ATOM 272 CE2 PHE A 21 -0.253 -7.144 -2.426 1.00 0.00 C ATOM 273 CZ PHE A 21 -0.816 -7.431 -3.667 1.00 0.00 C ATOM 0 H PHE A 21 -5.052 -9.192 -1.097 1.00 0.00 H new ATOM 0 HA PHE A 21 -2.703 -10.515 -0.186 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -3.953 -7.726 -0.212 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -2.497 -7.992 0.727 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -3.682 -8.910 -2.717 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -0.549 -7.302 -0.309 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -2.522 -8.145 -4.780 1.00 0.00 H new ATOM 0 HE2 PHE A 21 0.709 -6.659 -2.350 1.00 0.00 H new ATOM 0 HZ PHE A 21 -0.251 -7.199 -4.558 1.00 0.00 H new HETATM 283 N NH2 A 22 -4.882 -9.685 2.061 1.00 0.00 N TER 286 NH2 A 22 HETATM 287 C ACE B 23 -1.882 -14.680 -1.676 1.00 0.00 C HETATM 288 O ACE B 23 -1.045 -15.466 -1.252 1.00 0.00 O HETATM 289 CH3 ACE B 23 -3.132 -15.176 -2.363 1.00 0.00 C HETATM 0 H1 ACE B 23 -4.009 -14.836 -1.813 1.00 0.00 H new HETATM 0 H2 ACE B 23 -3.168 -14.785 -3.380 1.00 0.00 H new HETATM 0 H3 ACE B 23 -3.123 -16.266 -2.393 1.00 0.00 H new ATOM 293 N ALA B 24 -1.723 -13.368 -1.747 1.00 0.00 N ATOM 294 CA ALA B 24 -0.492 -12.638 -1.566 1.00 0.00 C ATOM 295 C ALA B 24 0.675 -13.091 -2.415 1.00 0.00 C ATOM 296 O ALA B 24 1.781 -12.625 -2.202 1.00 0.00 O ATOM 297 CB ALA B 24 -0.211 -12.600 -0.078 1.00 0.00 C ATOM 0 H ALA B 24 -2.508 -12.749 -1.947 1.00 0.00 H new ATOM 0 HA ALA B 24 -0.626 -11.626 -1.949 1.00 0.00 H new ATOM 0 HB1 ALA B 24 0.715 -12.055 0.104 1.00 0.00 H new ATOM 0 HB2 ALA B 24 -1.033 -12.100 0.435 1.00 0.00 H new ATOM 0 HB3 ALA B 24 -0.113 -13.618 0.300 1.00 0.00 H new ATOM 303 N LYS B 25 0.481 -13.923 -3.435 1.00 0.00 N ATOM 304 CA LYS B 25 1.460 -14.271 -4.437 1.00 0.00 C ATOM 305 C LYS B 25 1.802 -13.088 -5.320 1.00 0.00 C ATOM 306 O LYS B 25 2.896 -12.986 -5.835 1.00 0.00 O ATOM 307 CB LYS B 25 0.930 -15.416 -5.283 1.00 0.00 C ATOM 308 CG LYS B 25 0.802 -16.735 -4.546 1.00 0.00 C ATOM 309 CD LYS B 25 0.200 -17.824 -5.388 1.00 0.00 C ATOM 310 CE LYS B 25 1.006 -18.249 -6.497 1.00 0.00 C ATOM 311 NZ LYS B 25 0.511 -19.428 -7.121 1.00 0.00 N ATOM 0 H LYS B 25 -0.413 -14.392 -3.584 1.00 0.00 H new ATOM 0 HA LYS B 25 2.374 -14.577 -3.929 1.00 0.00 H new ATOM 0 HB2 LYS B 25 -0.048 -15.138 -5.677 1.00 0.00 H new ATOM 0 HB3 LYS B 25 1.591 -15.555 -6.139 1.00 0.00 H new ATOM 0 HG2 LYS B 25 1.788 -17.051 -4.204 1.00 0.00 H new ATOM 0 HG3 LYS B 25 0.188 -16.590 -3.657 1.00 0.00 H new ATOM 0 HD2 LYS B 25 0.001 -18.686 -4.752 1.00 0.00 H new ATOM 0 HD3 LYS B 25 -0.762 -17.479 -5.768 1.00 0.00 H new ATOM 0 HE2 LYS B 25 1.054 -17.447 -7.233 1.00 0.00 H new ATOM 0 HE3 LYS B 25 2.025 -18.427 -6.152 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 1.132 -19.688 -7.914 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 0.490 -20.204 -6.429 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 -0.451 -19.255 -7.477 1.00 0.00 H new ATOM 325 N ALA B 26 0.872 -12.146 -5.442 1.00 0.00 N ATOM 326 CA ALA B 26 1.037 -10.848 -6.058 1.00 0.00 C ATOM 327 C ALA B 26 1.828 -9.859 -5.229 1.00 0.00 C ATOM 328 O ALA B 26 2.165 -8.815 -5.735 1.00 0.00 O ATOM 329 CB ALA B 26 -0.367 -10.322 -6.274 1.00 0.00 C ATOM 0 H ALA B 26 -0.075 -12.285 -5.088 1.00 0.00 H new ATOM 0 HA ALA B 26 1.611 -10.962 -6.978 1.00 0.00 H new ATOM 0 HB1 ALA B 26 -0.319 -9.338 -6.739 1.00 0.00 H new ATOM 0 HB2 ALA B 26 -0.915 -11.004 -6.924 1.00 0.00 H new ATOM 0 HB3 ALA B 26 -0.878 -10.245 -5.314 1.00 0.00 H new ATOM 335 N ALA B 27 2.083 -10.123 -3.953 1.00 0.00 N ATOM 336 CA ALA B 27 2.510 -9.123 -3.002 1.00 0.00 C ATOM 337 C ALA B 27 3.928 -8.610 -3.172 1.00 0.00 C ATOM 338 O ALA B 27 4.085 -7.400 -3.151 1.00 0.00 O ATOM 339 CB ALA B 27 2.165 -9.545 -1.583 1.00 0.00 C ATOM 0 H ALA B 27 1.995 -11.056 -3.551 1.00 0.00 H new ATOM 0 HA ALA B 27 1.928 -8.231 -3.232 1.00 0.00 H new ATOM 0 HB1 ALA B 27 2.496 -8.777 -0.884 1.00 0.00 H new ATOM 0 HB2 ALA B 27 1.087 -9.676 -1.494 1.00 0.00 H new ATOM 0 HB3 ALA B 27 2.665 -10.486 -1.351 1.00 0.00 H new ATOM 345 N ALA B 28 4.936 -9.445 -3.381 1.00 0.00 N ATOM 346 CA ALA B 28 6.264 -8.926 -3.612 1.00 0.00 C ATOM 347 C ALA B 28 6.322 -8.008 -4.816 1.00 0.00 C ATOM 348 O ALA B 28 6.735 -6.862 -4.709 1.00 0.00 O ATOM 349 CB ALA B 28 7.236 -10.077 -3.697 1.00 0.00 C ATOM 0 H ALA B 28 4.858 -10.462 -3.394 1.00 0.00 H new ATOM 0 HA ALA B 28 6.553 -8.297 -2.770 1.00 0.00 H new ATOM 0 HB1 ALA B 28 8.241 -9.692 -3.871 1.00 0.00 H new ATOM 0 HB2 ALA B 28 7.219 -10.637 -2.762 1.00 0.00 H new ATOM 0 HB3 ALA B 28 6.951 -10.734 -4.519 1.00 0.00 H new ATOM 355 N ALA B 29 5.789 -8.429 -5.959 1.00 0.00 N ATOM 356 CA ALA B 29 5.740 -7.653 -7.174 1.00 0.00 C ATOM 357 C ALA B 29 4.908 -6.388 -7.087 1.00 0.00 C ATOM 358 O ALA B 29 5.161 -5.467 -7.834 1.00 0.00 O ATOM 359 CB ALA B 29 5.188 -8.579 -8.237 1.00 0.00 C ATOM 0 H ALA B 29 5.367 -9.352 -6.059 1.00 0.00 H new ATOM 0 HA ALA B 29 6.744 -7.293 -7.400 1.00 0.00 H new ATOM 0 HB1 ALA B 29 5.126 -8.047 -9.186 1.00 0.00 H new ATOM 0 HB2 ALA B 29 5.846 -9.441 -8.346 1.00 0.00 H new ATOM 0 HB3 ALA B 29 4.194 -8.917 -7.945 1.00 0.00 H new ATOM 365 N ALA B 30 3.932 -6.286 -6.203 1.00 0.00 N ATOM 366 CA ALA B 30 3.090 -5.128 -6.019 1.00 0.00 C ATOM 367 C ALA B 30 3.692 -4.139 -5.042 1.00 0.00 C ATOM 368 O ALA B 30 3.784 -2.945 -5.294 1.00 0.00 O ATOM 369 CB ALA B 30 1.718 -5.575 -5.558 1.00 0.00 C ATOM 0 H ALA B 30 3.698 -7.047 -5.566 1.00 0.00 H new ATOM 0 HA ALA B 30 3.003 -4.611 -6.975 1.00 0.00 H new ATOM 0 HB1 ALA B 30 1.079 -4.703 -5.418 1.00 0.00 H new ATOM 0 HB2 ALA B 30 1.277 -6.231 -6.309 1.00 0.00 H new ATOM 0 HB3 ALA B 30 1.809 -6.114 -4.615 1.00 0.00 H new ATOM 375 N ILE B 31 4.144 -4.626 -3.887 1.00 0.00 N ATOM 376 CA ILE B 31 4.620 -3.831 -2.781 1.00 0.00 C ATOM 377 C ILE B 31 6.008 -3.288 -3.067 1.00 0.00 C ATOM 378 O ILE B 31 6.289 -2.156 -2.707 1.00 0.00 O ATOM 379 CB ILE B 31 4.693 -4.674 -1.519 1.00 0.00 C ATOM 380 CG1 ILE B 31 3.357 -5.341 -1.224 1.00 0.00 C ATOM 381 CG2 ILE B 31 5.248 -3.862 -0.358 1.00 0.00 C ATOM 382 CD1 ILE B 31 2.380 -4.453 -0.472 1.00 0.00 C ATOM 0 H ILE B 31 4.186 -5.628 -3.700 1.00 0.00 H new ATOM 0 HA ILE B 31 3.922 -3.005 -2.644 1.00 0.00 H new ATOM 0 HB ILE B 31 5.397 -5.491 -1.678 1.00 0.00 H new ATOM 0 HG12 ILE B 31 2.901 -5.652 -2.164 1.00 0.00 H new ATOM 0 HG13 ILE B 31 3.534 -6.245 -0.642 1.00 0.00 H new ATOM 0 HG21 ILE B 31 5.291 -4.486 0.535 1.00 0.00 H new ATOM 0 HG22 ILE B 31 6.250 -3.512 -0.605 1.00 0.00 H new ATOM 0 HG23 ILE B 31 4.601 -3.005 -0.171 1.00 0.00 H new ATOM 0 HD11 ILE B 31 1.452 -4.998 -0.299 1.00 0.00 H new ATOM 0 HD12 ILE B 31 2.814 -4.163 0.485 1.00 0.00 H new ATOM 0 HD13 ILE B 31 2.172 -3.560 -1.062 1.00 0.00 H new ATOM 394 N LYS B 32 6.847 -4.073 -3.737 1.00 0.00 N ATOM 395 CA LYS B 32 8.186 -3.640 -4.063 1.00 0.00 C ATOM 396 C LYS B 32 8.216 -2.498 -5.059 1.00 0.00 C ATOM 397 O LYS B 32 9.092 -1.659 -4.942 1.00 0.00 O ATOM 398 CB LYS B 32 9.047 -4.808 -4.521 1.00 0.00 C ATOM 399 CG LYS B 32 9.396 -5.745 -3.377 1.00 0.00 C ATOM 400 CD LYS B 32 10.271 -6.878 -3.806 1.00 0.00 C ATOM 401 CE LYS B 32 11.063 -7.451 -3.219 1.00 0.00 C ATOM 402 NZ LYS B 32 11.964 -8.483 -3.498 1.00 0.00 N ATOM 0 H LYS B 32 6.615 -5.012 -4.061 1.00 0.00 H new ATOM 0 HA LYS B 32 8.615 -3.245 -3.142 1.00 0.00 H new ATOM 0 HB2 LYS B 32 8.520 -5.364 -5.296 1.00 0.00 H new ATOM 0 HB3 LYS B 32 9.964 -4.427 -4.970 1.00 0.00 H new ATOM 0 HG2 LYS B 32 9.898 -5.181 -2.591 1.00 0.00 H new ATOM 0 HG3 LYS B 32 8.478 -6.144 -2.946 1.00 0.00 H new ATOM 0 HD2 LYS B 32 9.578 -7.644 -4.154 1.00 0.00 H new ATOM 0 HD3 LYS B 32 10.797 -6.502 -4.684 1.00 0.00 H new ATOM 0 HE2 LYS B 32 11.709 -6.658 -2.842 1.00 0.00 H new ATOM 0 HE3 LYS B 32 10.503 -7.839 -2.368 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 12.515 -8.703 -2.644 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 11.440 -9.329 -3.799 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 12.608 -8.185 -4.259 1.00 0.00 H new ATOM 416 N ALA B 33 7.227 -2.381 -5.938 1.00 0.00 N ATOM 417 CA ALA B 33 6.974 -1.175 -6.688 1.00 0.00 C ATOM 418 C ALA B 33 6.491 -0.081 -5.753 1.00 0.00 C ATOM 419 O ALA B 33 7.106 0.976 -5.702 1.00 0.00 O ATOM 420 CB ALA B 33 6.014 -1.522 -7.819 1.00 0.00 C ATOM 0 H ALA B 33 6.574 -3.137 -6.146 1.00 0.00 H new ATOM 0 HA ALA B 33 7.877 -0.774 -7.148 1.00 0.00 H new ATOM 0 HB1 ALA B 33 5.804 -0.627 -8.405 1.00 0.00 H new ATOM 0 HB2 ALA B 33 6.466 -2.278 -8.461 1.00 0.00 H new ATOM 0 HB3 ALA B 33 5.085 -1.909 -7.401 1.00 0.00 H new ATOM 426 N ILE B 34 5.416 -0.278 -4.994 1.00 0.00 N ATOM 427 CA ILE B 34 4.774 0.804 -4.280 1.00 0.00 C ATOM 428 C ILE B 34 5.677 1.380 -3.205 1.00 0.00 C ATOM 429 O ILE B 34 5.786 2.593 -3.118 1.00 0.00 O ATOM 430 CB ILE B 34 3.374 0.416 -3.822 1.00 0.00 C ATOM 431 CG1 ILE B 34 2.281 1.419 -4.140 1.00 0.00 C ATOM 432 CG2 ILE B 34 3.305 -0.073 -2.391 1.00 0.00 C ATOM 433 CD1 ILE B 34 2.309 2.724 -3.399 1.00 0.00 C ATOM 0 H ILE B 34 4.974 -1.188 -4.862 1.00 0.00 H new ATOM 0 HA ILE B 34 4.614 1.635 -4.967 1.00 0.00 H new ATOM 0 HB ILE B 34 3.152 -0.444 -4.453 1.00 0.00 H new ATOM 0 HG12 ILE B 34 2.322 1.636 -5.207 1.00 0.00 H new ATOM 0 HG13 ILE B 34 1.320 0.943 -3.948 1.00 0.00 H new ATOM 0 HG21 ILE B 34 2.275 -0.329 -2.143 1.00 0.00 H new ATOM 0 HG22 ILE B 34 3.935 -0.955 -2.277 1.00 0.00 H new ATOM 0 HG23 ILE B 34 3.655 0.712 -1.721 1.00 0.00 H new ATOM 0 HD11 ILE B 34 1.473 3.344 -3.723 1.00 0.00 H new ATOM 0 HD12 ILE B 34 2.228 2.536 -2.328 1.00 0.00 H new ATOM 0 HD13 ILE B 34 3.246 3.240 -3.607 1.00 0.00 H new ATOM 445 N ALA B 35 6.443 0.578 -2.479 1.00 0.00 N ATOM 446 CA ALA B 35 7.391 1.089 -1.515 1.00 0.00 C ATOM 447 C ALA B 35 8.551 1.845 -2.135 1.00 0.00 C ATOM 448 O ALA B 35 9.007 2.814 -1.549 1.00 0.00 O ATOM 449 CB ALA B 35 7.857 -0.058 -0.645 1.00 0.00 C ATOM 0 H ALA B 35 6.421 -0.440 -2.545 1.00 0.00 H new ATOM 0 HA ALA B 35 6.883 1.836 -0.905 1.00 0.00 H new ATOM 0 HB1 ALA B 35 8.574 0.310 0.089 1.00 0.00 H new ATOM 0 HB2 ALA B 35 7.002 -0.495 -0.130 1.00 0.00 H new ATOM 0 HB3 ALA B 35 8.332 -0.817 -1.267 1.00 0.00 H new ATOM 455 N ALA B 36 8.969 1.518 -3.354 1.00 0.00 N ATOM 456 CA ALA B 36 9.953 2.269 -4.095 1.00 0.00 C ATOM 457 C ALA B 36 9.380 3.561 -4.642 1.00 0.00 C ATOM 458 O ALA B 36 10.042 4.583 -4.562 1.00 0.00 O ATOM 459 CB ALA B 36 10.517 1.404 -5.200 1.00 0.00 C ATOM 0 H ALA B 36 8.619 0.703 -3.858 1.00 0.00 H new ATOM 0 HA ALA B 36 10.759 2.550 -3.417 1.00 0.00 H new ATOM 0 HB1 ALA B 36 11.261 1.970 -5.761 1.00 0.00 H new ATOM 0 HB2 ALA B 36 10.984 0.520 -4.767 1.00 0.00 H new ATOM 0 HB3 ALA B 36 9.713 1.098 -5.869 1.00 0.00 H new ATOM 465 N ILE B 37 8.127 3.541 -5.088 1.00 0.00 N ATOM 466 CA ILE B 37 7.348 4.676 -5.529 1.00 0.00 C ATOM 467 C ILE B 37 7.132 5.635 -4.369 1.00 0.00 C ATOM 468 O ILE B 37 7.371 6.827 -4.479 1.00 0.00 O ATOM 469 CB ILE B 37 6.058 4.210 -6.188 1.00 0.00 C ATOM 470 CG1 ILE B 37 6.299 3.453 -7.486 1.00 0.00 C ATOM 471 CG2 ILE B 37 5.143 5.391 -6.458 1.00 0.00 C ATOM 472 CD1 ILE B 37 5.180 2.539 -7.959 1.00 0.00 C ATOM 0 H ILE B 37 7.601 2.669 -5.152 1.00 0.00 H new ATOM 0 HA ILE B 37 7.891 5.231 -6.294 1.00 0.00 H new ATOM 0 HB ILE B 37 5.585 3.522 -5.487 1.00 0.00 H new ATOM 0 HG12 ILE B 37 6.500 4.181 -8.272 1.00 0.00 H new ATOM 0 HG13 ILE B 37 7.202 2.854 -7.368 1.00 0.00 H new ATOM 0 HG21 ILE B 37 4.225 5.040 -6.929 1.00 0.00 H new ATOM 0 HG22 ILE B 37 4.901 5.886 -5.518 1.00 0.00 H new ATOM 0 HG23 ILE B 37 5.645 6.096 -7.121 1.00 0.00 H new ATOM 0 HD11 ILE B 37 5.473 2.058 -8.892 1.00 0.00 H new ATOM 0 HD12 ILE B 37 4.988 1.778 -7.203 1.00 0.00 H new ATOM 0 HD13 ILE B 37 4.275 3.125 -8.121 1.00 0.00 H new ATOM 484 N ILE B 38 6.741 5.180 -3.182 1.00 0.00 N ATOM 485 CA ILE B 38 6.703 5.906 -1.932 1.00 0.00 C ATOM 486 C ILE B 38 8.019 6.581 -1.588 1.00 0.00 C ATOM 487 O ILE B 38 8.014 7.770 -1.295 1.00 0.00 O ATOM 488 CB ILE B 38 6.213 4.982 -0.826 1.00 0.00 C ATOM 489 CG1 ILE B 38 4.725 4.751 -1.035 1.00 0.00 C ATOM 490 CG2 ILE B 38 6.414 5.555 0.566 1.00 0.00 C ATOM 491 CD1 ILE B 38 4.031 3.706 -0.178 1.00 0.00 C ATOM 0 H ILE B 38 6.419 4.219 -3.069 1.00 0.00 H new ATOM 0 HA ILE B 38 5.996 6.729 -2.042 1.00 0.00 H new ATOM 0 HB ILE B 38 6.793 4.061 -0.884 1.00 0.00 H new ATOM 0 HG12 ILE B 38 4.216 5.702 -0.878 1.00 0.00 H new ATOM 0 HG13 ILE B 38 4.574 4.478 -2.079 1.00 0.00 H new ATOM 0 HG21 ILE B 38 6.044 4.847 1.308 1.00 0.00 H new ATOM 0 HG22 ILE B 38 7.475 5.736 0.735 1.00 0.00 H new ATOM 0 HG23 ILE B 38 5.867 6.494 0.656 1.00 0.00 H new ATOM 0 HD11 ILE B 38 2.975 3.659 -0.445 1.00 0.00 H new ATOM 0 HD12 ILE B 38 4.492 2.733 -0.347 1.00 0.00 H new ATOM 0 HD13 ILE B 38 4.127 3.976 0.874 1.00 0.00 H new ATOM 503 N LYS B 39 9.133 5.852 -1.625 1.00 0.00 N ATOM 504 CA LYS B 39 10.459 6.364 -1.363 1.00 0.00 C ATOM 505 C LYS B 39 10.872 7.509 -2.267 1.00 0.00 C ATOM 506 O LYS B 39 11.603 8.389 -1.849 1.00 0.00 O ATOM 507 CB LYS B 39 11.404 5.179 -1.322 1.00 0.00 C ATOM 508 CG LYS B 39 12.880 5.497 -1.206 1.00 0.00 C ATOM 509 CD LYS B 39 13.313 6.203 0.051 1.00 0.00 C ATOM 510 CE LYS B 39 13.115 5.360 1.278 1.00 0.00 C ATOM 511 NZ LYS B 39 14.065 4.495 1.627 1.00 0.00 N ATOM 0 H LYS B 39 9.127 4.856 -1.846 1.00 0.00 H new ATOM 0 HA LYS B 39 10.487 6.857 -0.391 1.00 0.00 H new ATOM 0 HB2 LYS B 39 11.124 4.548 -0.479 1.00 0.00 H new ATOM 0 HB3 LYS B 39 11.252 4.590 -2.226 1.00 0.00 H new ATOM 0 HG2 LYS B 39 13.438 4.564 -1.284 1.00 0.00 H new ATOM 0 HG3 LYS B 39 13.166 6.112 -2.060 1.00 0.00 H new ATOM 0 HD2 LYS B 39 14.365 6.476 -0.033 1.00 0.00 H new ATOM 0 HD3 LYS B 39 12.750 7.130 0.156 1.00 0.00 H new ATOM 0 HE2 LYS B 39 12.959 6.035 2.119 1.00 0.00 H new ATOM 0 HE3 LYS B 39 12.191 4.798 1.145 1.00 0.00 H new ATOM 0 HZ1 LYS B 39 13.777 3.993 2.491 1.00 0.00 H new ATOM 0 HZ2 LYS B 39 14.208 3.808 0.859 1.00 0.00 H new ATOM 0 HZ3 LYS B 39 14.953 5.007 1.803 1.00 0.00 H new ATOM 525 N ALA B 40 10.310 7.588 -3.463 1.00 0.00 N ATOM 526 CA ALA B 40 10.394 8.711 -4.353 1.00 0.00 C ATOM 527 C ALA B 40 9.327 9.749 -4.135 1.00 0.00 C ATOM 528 O ALA B 40 9.609 10.890 -4.160 1.00 0.00 O ATOM 529 CB ALA B 40 10.342 8.161 -5.755 1.00 0.00 C ATOM 0 H ALA B 40 9.756 6.824 -3.850 1.00 0.00 H new ATOM 0 HA ALA B 40 11.326 9.242 -4.161 1.00 0.00 H new ATOM 0 HB1 ALA B 40 10.403 8.981 -6.470 1.00 0.00 H new ATOM 0 HB2 ALA B 40 11.180 7.481 -5.910 1.00 0.00 H new ATOM 0 HB3 ALA B 40 9.406 7.622 -5.900 1.00 0.00 H new ATOM 535 N GLY B 41 8.086 9.390 -3.910 1.00 0.00 N ATOM 536 CA GLY B 41 6.906 10.217 -3.992 1.00 0.00 C ATOM 537 C GLY B 41 6.424 10.844 -2.705 1.00 0.00 C ATOM 538 O GLY B 41 5.543 11.688 -2.783 1.00 0.00 O ATOM 0 H GLY B 41 7.857 8.433 -3.643 1.00 0.00 H new ATOM 0 HA2 GLY B 41 7.100 11.016 -4.708 1.00 0.00 H new ATOM 0 HA3 GLY B 41 6.096 9.613 -4.400 1.00 0.00 H new ATOM 542 N GLY B 42 6.941 10.485 -1.538 1.00 0.00 N ATOM 543 CA GLY B 42 6.744 11.189 -0.298 1.00 0.00 C ATOM 544 C GLY B 42 5.302 11.220 0.156 1.00 0.00 C ATOM 545 O GLY B 42 4.727 12.271 0.326 1.00 0.00 O ATOM 0 H GLY B 42 7.532 9.660 -1.435 1.00 0.00 H new ATOM 0 HA2 GLY B 42 7.351 10.720 0.477 1.00 0.00 H new ATOM 0 HA3 GLY B 42 7.104 12.212 -0.409 1.00 0.00 H new ATOM 549 N PHE B 43 4.678 10.069 0.342 1.00 0.00 N ATOM 550 CA PHE B 43 3.251 9.913 0.498 1.00 0.00 C ATOM 551 C PHE B 43 2.730 10.471 1.804 1.00 0.00 C ATOM 552 O PHE B 43 1.875 11.325 1.823 1.00 0.00 O ATOM 553 CB PHE B 43 2.960 8.430 0.347 1.00 0.00 C ATOM 554 CG PHE B 43 2.884 7.964 -1.083 1.00 0.00 C ATOM 555 CD1 PHE B 43 3.998 8.080 -1.919 1.00 0.00 C ATOM 556 CD2 PHE B 43 1.735 7.350 -1.580 1.00 0.00 C ATOM 557 CE1 PHE B 43 4.027 7.528 -3.200 1.00 0.00 C ATOM 558 CE2 PHE B 43 1.711 6.817 -2.866 1.00 0.00 C ATOM 559 CZ PHE B 43 2.851 6.934 -3.661 1.00 0.00 C ATOM 0 H PHE B 43 5.179 9.182 0.390 1.00 0.00 H new ATOM 0 HA PHE B 43 2.727 10.492 -0.262 1.00 0.00 H new ATOM 0 HB2 PHE B 43 3.736 7.864 0.862 1.00 0.00 H new ATOM 0 HB3 PHE B 43 2.016 8.203 0.843 1.00 0.00 H new ATOM 0 HD1 PHE B 43 4.865 8.615 -1.561 1.00 0.00 H new ATOM 0 HD2 PHE B 43 0.853 7.287 -0.960 1.00 0.00 H new ATOM 0 HE1 PHE B 43 4.919 7.559 -3.808 1.00 0.00 H new ATOM 0 HE2 PHE B 43 0.827 6.323 -3.241 1.00 0.00 H new ATOM 0 HZ PHE B 43 2.823 6.551 -4.670 1.00 0.00 H new HETATM 569 N NH2 B 44 3.301 10.106 2.936 1.00 0.00 N TER 572 NH2 B 44 HETATM 573 C ACE C 45 -9.151 10.901 2.744 1.00 0.00 C HETATM 574 O ACE C 45 -8.552 10.080 3.393 1.00 0.00 O HETATM 575 CH3 ACE C 45 -10.550 11.272 3.124 1.00 0.00 C HETATM 0 H1 ACE C 45 -10.595 12.337 3.350 1.00 0.00 H new HETATM 0 H2 ACE C 45 -11.223 11.047 2.297 1.00 0.00 H new HETATM 0 H3 ACE C 45 -10.852 10.702 4.003 1.00 0.00 H new ATOM 579 N ALA C 46 -8.620 11.557 1.733 1.00 0.00 N ATOM 580 CA ALA C 46 -7.236 11.482 1.352 1.00 0.00 C ATOM 581 C ALA C 46 -6.276 12.032 2.380 1.00 0.00 C ATOM 582 O ALA C 46 -5.073 11.919 2.206 1.00 0.00 O ATOM 583 CB ALA C 46 -7.091 12.127 -0.004 1.00 0.00 C ATOM 0 H ALA C 46 -9.166 12.178 1.136 1.00 0.00 H new ATOM 0 HA ALA C 46 -6.949 10.432 1.294 1.00 0.00 H new ATOM 0 HB1 ALA C 46 -6.048 12.084 -0.318 1.00 0.00 H new ATOM 0 HB2 ALA C 46 -7.710 11.596 -0.727 1.00 0.00 H new ATOM 0 HB3 ALA C 46 -7.410 13.168 0.052 1.00 0.00 H new ATOM 589 N LYS C 47 -6.755 12.463 3.539 1.00 0.00 N ATOM 590 CA LYS C 47 -5.993 12.672 4.731 1.00 0.00 C ATOM 591 C LYS C 47 -5.285 11.431 5.215 1.00 0.00 C ATOM 592 O LYS C 47 -4.182 11.490 5.669 1.00 0.00 O ATOM 593 CB LYS C 47 -6.868 13.238 5.808 1.00 0.00 C ATOM 594 CG LYS C 47 -7.363 14.593 5.520 1.00 0.00 C ATOM 595 CD LYS C 47 -8.037 15.264 6.670 1.00 0.00 C ATOM 596 CE LYS C 47 -9.037 15.701 6.525 1.00 0.00 C ATOM 597 NZ LYS C 47 -9.663 16.265 7.650 1.00 0.00 N ATOM 0 H LYS C 47 -7.743 12.684 3.664 1.00 0.00 H new ATOM 0 HA LYS C 47 -5.209 13.388 4.482 1.00 0.00 H new ATOM 0 HB2 LYS C 47 -7.720 12.574 5.957 1.00 0.00 H new ATOM 0 HB3 LYS C 47 -6.310 13.256 6.744 1.00 0.00 H new ATOM 0 HG2 LYS C 47 -6.525 15.211 5.196 1.00 0.00 H new ATOM 0 HG3 LYS C 47 -8.062 14.541 4.686 1.00 0.00 H new ATOM 0 HD2 LYS C 47 -8.111 14.536 7.478 1.00 0.00 H new ATOM 0 HD3 LYS C 47 -7.378 16.060 7.018 1.00 0.00 H new ATOM 0 HE2 LYS C 47 -8.960 16.473 5.759 1.00 0.00 H new ATOM 0 HE3 LYS C 47 -9.691 14.924 6.129 1.00 0.00 H new ATOM 0 HZ1 LYS C 47 -10.594 16.639 7.378 1.00 0.00 H new ATOM 0 HZ2 LYS C 47 -9.783 15.536 8.382 1.00 0.00 H new ATOM 0 HZ3 LYS C 47 -9.075 17.037 8.024 1.00 0.00 H new ATOM 611 N ALA C 48 -5.889 10.272 5.032 1.00 0.00 N ATOM 612 CA ALA C 48 -5.332 8.962 5.237 1.00 0.00 C ATOM 613 C ALA C 48 -4.181 8.641 4.314 1.00 0.00 C ATOM 614 O ALA C 48 -3.348 7.814 4.633 1.00 0.00 O ATOM 615 CB ALA C 48 -6.445 7.959 5.036 1.00 0.00 C ATOM 0 H ALA C 48 -6.856 10.226 4.711 1.00 0.00 H new ATOM 0 HA ALA C 48 -4.921 8.922 6.246 1.00 0.00 H new ATOM 0 HB1 ALA C 48 -6.058 6.951 5.184 1.00 0.00 H new ATOM 0 HB2 ALA C 48 -7.242 8.151 5.755 1.00 0.00 H new ATOM 0 HB3 ALA C 48 -6.839 8.051 4.024 1.00 0.00 H new ATOM 621 N ALA C 49 -4.046 9.327 3.187 1.00 0.00 N ATOM 622 CA ALA C 49 -3.031 9.054 2.199 1.00 0.00 C ATOM 623 C ALA C 49 -1.657 9.597 2.514 1.00 0.00 C ATOM 624 O ALA C 49 -0.735 9.332 1.786 1.00 0.00 O ATOM 625 CB ALA C 49 -3.587 9.415 0.831 1.00 0.00 C ATOM 0 H ALA C 49 -4.657 10.105 2.936 1.00 0.00 H new ATOM 0 HA ALA C 49 -2.814 7.986 2.208 1.00 0.00 H new ATOM 0 HB1 ALA C 49 -2.834 9.216 0.068 1.00 0.00 H new ATOM 0 HB2 ALA C 49 -4.475 8.816 0.630 1.00 0.00 H new ATOM 0 HB3 ALA C 49 -3.851 10.472 0.813 1.00 0.00 H new ATOM 631 N ALA C 50 -1.510 10.240 3.663 1.00 0.00 N ATOM 632 CA ALA C 50 -0.290 10.258 4.427 1.00 0.00 C ATOM 633 C ALA C 50 -0.334 9.256 5.565 1.00 0.00 C ATOM 634 O ALA C 50 0.492 8.358 5.612 1.00 0.00 O ATOM 635 CB ALA C 50 -0.019 11.659 4.921 1.00 0.00 C ATOM 0 H ALA C 50 -2.263 10.776 4.094 1.00 0.00 H new ATOM 0 HA ALA C 50 0.534 9.957 3.781 1.00 0.00 H new ATOM 0 HB1 ALA C 50 0.905 11.669 5.499 1.00 0.00 H new ATOM 0 HB2 ALA C 50 0.078 12.333 4.070 1.00 0.00 H new ATOM 0 HB3 ALA C 50 -0.845 11.988 5.552 1.00 0.00 H new ATOM 641 N ALA C 51 -1.282 9.358 6.487 1.00 0.00 N ATOM 642 CA ALA C 51 -1.309 8.635 7.735 1.00 0.00 C ATOM 643 C ALA C 51 -1.304 7.121 7.617 1.00 0.00 C ATOM 644 O ALA C 51 -0.682 6.437 8.395 1.00 0.00 O ATOM 645 CB ALA C 51 -2.510 9.086 8.533 1.00 0.00 C ATOM 0 H ALA C 51 -2.085 9.976 6.373 1.00 0.00 H new ATOM 0 HA ALA C 51 -0.372 8.874 8.238 1.00 0.00 H new ATOM 0 HB1 ALA C 51 -2.542 8.546 9.479 1.00 0.00 H new ATOM 0 HB2 ALA C 51 -2.437 10.156 8.728 1.00 0.00 H new ATOM 0 HB3 ALA C 51 -3.420 8.882 7.968 1.00 0.00 H new ATOM 651 N ALA C 52 -1.982 6.563 6.627 1.00 0.00 N ATOM 652 CA ALA C 52 -2.093 5.144 6.374 1.00 0.00 C ATOM 653 C ALA C 52 -0.826 4.637 5.725 1.00 0.00 C ATOM 654 O ALA C 52 -0.304 3.609 6.120 1.00 0.00 O ATOM 655 CB ALA C 52 -3.299 4.850 5.505 1.00 0.00 C ATOM 0 H ALA C 52 -2.495 7.121 5.945 1.00 0.00 H new ATOM 0 HA ALA C 52 -2.230 4.626 7.323 1.00 0.00 H new ATOM 0 HB1 ALA C 52 -3.365 3.777 5.326 1.00 0.00 H new ATOM 0 HB2 ALA C 52 -4.203 5.190 6.010 1.00 0.00 H new ATOM 0 HB3 ALA C 52 -3.197 5.371 4.553 1.00 0.00 H new ATOM 661 N ILE C 53 -0.288 5.413 4.791 1.00 0.00 N ATOM 662 CA ILE C 53 0.958 5.099 4.126 1.00 0.00 C ATOM 663 C ILE C 53 2.090 5.082 5.136 1.00 0.00 C ATOM 664 O ILE C 53 2.905 4.170 5.111 1.00 0.00 O ATOM 665 CB ILE C 53 1.264 6.086 3.007 1.00 0.00 C ATOM 666 CG1 ILE C 53 0.121 6.269 2.023 1.00 0.00 C ATOM 667 CG2 ILE C 53 2.543 5.647 2.313 1.00 0.00 C ATOM 668 CD1 ILE C 53 -0.055 5.144 1.014 1.00 0.00 C ATOM 0 H ILE C 53 -0.713 6.285 4.476 1.00 0.00 H new ATOM 0 HA ILE C 53 0.859 4.112 3.674 1.00 0.00 H new ATOM 0 HB ILE C 53 1.399 7.071 3.453 1.00 0.00 H new ATOM 0 HG12 ILE C 53 -0.806 6.379 2.585 1.00 0.00 H new ATOM 0 HG13 ILE C 53 0.277 7.201 1.480 1.00 0.00 H new ATOM 0 HG21 ILE C 53 2.777 6.343 1.508 1.00 0.00 H new ATOM 0 HG22 ILE C 53 3.362 5.635 3.032 1.00 0.00 H new ATOM 0 HG23 ILE C 53 2.408 4.647 1.900 1.00 0.00 H new ATOM 0 HD11 ILE C 53 -0.896 5.371 0.359 1.00 0.00 H new ATOM 0 HD12 ILE C 53 0.852 5.044 0.418 1.00 0.00 H new ATOM 0 HD13 ILE C 53 -0.248 4.209 1.541 1.00 0.00 H new ATOM 680 N LYS C 54 2.167 6.065 6.032 1.00 0.00 N ATOM 681 CA LYS C 54 3.242 6.250 6.978 1.00 0.00 C ATOM 682 C LYS C 54 3.306 5.182 8.051 1.00 0.00 C ATOM 683 O LYS C 54 4.383 4.889 8.525 1.00 0.00 O ATOM 684 CB LYS C 54 3.134 7.643 7.580 1.00 0.00 C ATOM 685 CG LYS C 54 3.526 8.731 6.597 1.00 0.00 C ATOM 686 CD LYS C 54 3.207 10.137 7.061 1.00 0.00 C ATOM 687 CE LYS C 54 4.088 10.544 8.210 1.00 0.00 C ATOM 688 NZ LYS C 54 3.907 11.908 8.540 1.00 0.00 N ATOM 0 H LYS C 54 1.445 6.780 6.114 1.00 0.00 H new ATOM 0 HA LYS C 54 4.181 6.150 6.433 1.00 0.00 H new ATOM 0 HB2 LYS C 54 2.111 7.812 7.916 1.00 0.00 H new ATOM 0 HB3 LYS C 54 3.773 7.706 8.461 1.00 0.00 H new ATOM 0 HG2 LYS C 54 4.596 8.660 6.402 1.00 0.00 H new ATOM 0 HG3 LYS C 54 3.017 8.549 5.650 1.00 0.00 H new ATOM 0 HD2 LYS C 54 3.339 10.834 6.234 1.00 0.00 H new ATOM 0 HD3 LYS C 54 2.161 10.195 7.363 1.00 0.00 H new ATOM 0 HE2 LYS C 54 3.865 9.925 9.079 1.00 0.00 H new ATOM 0 HE3 LYS C 54 5.132 10.366 7.951 1.00 0.00 H new ATOM 0 HZ1 LYS C 54 4.528 12.158 9.336 1.00 0.00 H new ATOM 0 HZ2 LYS C 54 4.144 12.499 7.717 1.00 0.00 H new ATOM 0 HZ3 LYS C 54 2.916 12.071 8.810 1.00 0.00 H new ATOM 702 N ALA C 55 2.201 4.537 8.407 1.00 0.00 N ATOM 703 CA ALA C 55 2.165 3.278 9.113 1.00 0.00 C ATOM 704 C ALA C 55 2.617 2.141 8.215 1.00 0.00 C ATOM 705 O ALA C 55 3.601 1.472 8.493 1.00 0.00 O ATOM 706 CB ALA C 55 0.768 3.104 9.672 1.00 0.00 C ATOM 0 H ALA C 55 1.270 4.899 8.199 1.00 0.00 H new ATOM 0 HA ALA C 55 2.867 3.269 9.947 1.00 0.00 H new ATOM 0 HB1 ALA C 55 0.707 2.160 10.213 1.00 0.00 H new ATOM 0 HB2 ALA C 55 0.543 3.926 10.351 1.00 0.00 H new ATOM 0 HB3 ALA C 55 0.047 3.101 8.855 1.00 0.00 H new ATOM 712 N ILE C 56 1.968 1.933 7.075 1.00 0.00 N ATOM 713 CA ILE C 56 2.140 0.767 6.249 1.00 0.00 C ATOM 714 C ILE C 56 3.525 0.676 5.641 1.00 0.00 C ATOM 715 O ILE C 56 4.086 -0.410 5.623 1.00 0.00 O ATOM 716 CB ILE C 56 0.986 0.570 5.281 1.00 0.00 C ATOM 717 CG1 ILE C 56 -0.159 -0.186 5.909 1.00 0.00 C ATOM 718 CG2 ILE C 56 1.368 -0.184 4.026 1.00 0.00 C ATOM 719 CD1 ILE C 56 -0.863 0.420 7.095 1.00 0.00 C ATOM 0 H ILE C 56 1.291 2.596 6.698 1.00 0.00 H new ATOM 0 HA ILE C 56 2.091 -0.105 6.902 1.00 0.00 H new ATOM 0 HB ILE C 56 0.690 1.586 5.019 1.00 0.00 H new ATOM 0 HG12 ILE C 56 -0.906 -0.358 5.134 1.00 0.00 H new ATOM 0 HG13 ILE C 56 0.217 -1.163 6.212 1.00 0.00 H new ATOM 0 HG21 ILE C 56 0.494 -0.286 3.383 1.00 0.00 H new ATOM 0 HG22 ILE C 56 2.147 0.364 3.495 1.00 0.00 H new ATOM 0 HG23 ILE C 56 1.739 -1.173 4.295 1.00 0.00 H new ATOM 0 HD11 ILE C 56 -1.659 -0.247 7.426 1.00 0.00 H new ATOM 0 HD12 ILE C 56 -0.150 0.564 7.907 1.00 0.00 H new ATOM 0 HD13 ILE C 56 -1.290 1.382 6.812 1.00 0.00 H new ATOM 731 N ALA C 57 4.187 1.767 5.268 1.00 0.00 N ATOM 732 CA ALA C 57 5.560 1.764 4.817 1.00 0.00 C ATOM 733 C ALA C 57 6.566 1.405 5.896 1.00 0.00 C ATOM 734 O ALA C 57 7.589 0.803 5.604 1.00 0.00 O ATOM 735 CB ALA C 57 5.905 3.098 4.177 1.00 0.00 C ATOM 0 H ALA C 57 3.767 2.696 5.274 1.00 0.00 H new ATOM 0 HA ALA C 57 5.635 0.969 4.075 1.00 0.00 H new ATOM 0 HB1 ALA C 57 6.942 3.083 3.841 1.00 0.00 H new ATOM 0 HB2 ALA C 57 5.250 3.272 3.324 1.00 0.00 H new ATOM 0 HB3 ALA C 57 5.771 3.897 4.906 1.00 0.00 H new ATOM 741 N ALA C 58 6.306 1.694 7.169 1.00 0.00 N ATOM 742 CA ALA C 58 7.110 1.325 8.309 1.00 0.00 C ATOM 743 C ALA C 58 6.892 -0.117 8.714 1.00 0.00 C ATOM 744 O ALA C 58 7.835 -0.820 9.050 1.00 0.00 O ATOM 745 CB ALA C 58 6.833 2.306 9.425 1.00 0.00 C ATOM 0 H ALA C 58 5.477 2.224 7.437 1.00 0.00 H new ATOM 0 HA ALA C 58 8.167 1.382 8.051 1.00 0.00 H new ATOM 0 HB1 ALA C 58 7.432 2.044 10.297 1.00 0.00 H new ATOM 0 HB2 ALA C 58 7.091 3.313 9.097 1.00 0.00 H new ATOM 0 HB3 ALA C 58 5.776 2.270 9.687 1.00 0.00 H new ATOM 751 N ILE C 59 5.669 -0.611 8.548 1.00 0.00 N ATOM 752 CA ILE C 59 5.258 -1.986 8.706 1.00 0.00 C ATOM 753 C ILE C 59 5.921 -2.805 7.614 1.00 0.00 C ATOM 754 O ILE C 59 6.520 -3.819 7.899 1.00 0.00 O ATOM 755 CB ILE C 59 3.738 -2.040 8.731 1.00 0.00 C ATOM 756 CG1 ILE C 59 3.179 -1.452 10.013 1.00 0.00 C ATOM 757 CG2 ILE C 59 3.180 -3.436 8.516 1.00 0.00 C ATOM 758 CD1 ILE C 59 1.740 -0.968 9.939 1.00 0.00 C ATOM 0 H ILE C 59 4.889 -0.010 8.280 1.00 0.00 H new ATOM 0 HA ILE C 59 5.581 -2.424 9.650 1.00 0.00 H new ATOM 0 HB ILE C 59 3.415 -1.431 7.887 1.00 0.00 H new ATOM 0 HG12 ILE C 59 3.251 -2.204 10.799 1.00 0.00 H new ATOM 0 HG13 ILE C 59 3.810 -0.616 10.314 1.00 0.00 H new ATOM 0 HG21 ILE C 59 2.091 -3.401 8.546 1.00 0.00 H new ATOM 0 HG22 ILE C 59 3.505 -3.812 7.546 1.00 0.00 H new ATOM 0 HG23 ILE C 59 3.544 -4.098 9.302 1.00 0.00 H new ATOM 0 HD11 ILE C 59 1.441 -0.567 10.907 1.00 0.00 H new ATOM 0 HD12 ILE C 59 1.657 -0.188 9.182 1.00 0.00 H new ATOM 0 HD13 ILE C 59 1.089 -1.801 9.674 1.00 0.00 H new ATOM 770 N ILE C 60 5.934 -2.395 6.351 1.00 0.00 N ATOM 771 CA ILE C 60 6.735 -2.926 5.270 1.00 0.00 C ATOM 772 C ILE C 60 8.220 -3.036 5.566 1.00 0.00 C ATOM 773 O ILE C 60 8.780 -4.093 5.313 1.00 0.00 O ATOM 774 CB ILE C 60 6.441 -2.138 4.005 1.00 0.00 C ATOM 775 CG1 ILE C 60 5.068 -2.546 3.503 1.00 0.00 C ATOM 776 CG2 ILE C 60 7.438 -2.430 2.897 1.00 0.00 C ATOM 777 CD1 ILE C 60 4.475 -1.751 2.355 1.00 0.00 C ATOM 0 H ILE C 60 5.340 -1.627 6.040 1.00 0.00 H new ATOM 0 HA ILE C 60 6.440 -3.966 5.130 1.00 0.00 H new ATOM 0 HB ILE C 60 6.500 -1.078 4.251 1.00 0.00 H new ATOM 0 HG12 ILE C 60 5.119 -3.591 3.197 1.00 0.00 H new ATOM 0 HG13 ILE C 60 4.374 -2.493 4.342 1.00 0.00 H new ATOM 0 HG21 ILE C 60 7.184 -1.842 2.015 1.00 0.00 H new ATOM 0 HG22 ILE C 60 8.441 -2.167 3.232 1.00 0.00 H new ATOM 0 HG23 ILE C 60 7.405 -3.491 2.648 1.00 0.00 H new ATOM 0 HD11 ILE C 60 3.494 -2.153 2.102 1.00 0.00 H new ATOM 0 HD12 ILE C 60 4.374 -0.706 2.650 1.00 0.00 H new ATOM 0 HD13 ILE C 60 5.130 -1.821 1.487 1.00 0.00 H new ATOM 789 N LYS C 61 8.824 -1.979 6.097 1.00 0.00 N ATOM 790 CA LYS C 61 10.220 -1.917 6.457 1.00 0.00 C ATOM 791 C LYS C 61 10.606 -2.987 7.460 1.00 0.00 C ATOM 792 O LYS C 61 11.717 -3.488 7.405 1.00 0.00 O ATOM 793 CB LYS C 61 10.496 -0.499 6.922 1.00 0.00 C ATOM 794 CG LYS C 61 11.861 -0.235 7.517 1.00 0.00 C ATOM 795 CD LYS C 61 13.023 -0.450 6.572 1.00 0.00 C ATOM 796 CE LYS C 61 13.130 0.613 5.525 1.00 0.00 C ATOM 797 NZ LYS C 61 14.392 0.618 4.878 1.00 0.00 N ATOM 0 H LYS C 61 8.326 -1.110 6.293 1.00 0.00 H new ATOM 0 HA LYS C 61 10.854 -2.139 5.599 1.00 0.00 H new ATOM 0 HB2 LYS C 61 10.359 0.171 6.073 1.00 0.00 H new ATOM 0 HB3 LYS C 61 9.743 -0.231 7.664 1.00 0.00 H new ATOM 0 HG2 LYS C 61 11.891 0.793 7.878 1.00 0.00 H new ATOM 0 HG3 LYS C 61 11.994 -0.881 8.385 1.00 0.00 H new ATOM 0 HD2 LYS C 61 13.949 -0.482 7.146 1.00 0.00 H new ATOM 0 HD3 LYS C 61 12.915 -1.420 6.087 1.00 0.00 H new ATOM 0 HE2 LYS C 61 12.346 0.466 4.782 1.00 0.00 H new ATOM 0 HE3 LYS C 61 12.957 1.587 5.983 1.00 0.00 H new ATOM 0 HZ1 LYS C 61 14.412 1.373 4.163 1.00 0.00 H new ATOM 0 HZ2 LYS C 61 15.141 0.785 5.580 1.00 0.00 H new ATOM 0 HZ3 LYS C 61 14.549 -0.301 4.416 1.00 0.00 H new ATOM 811 N ALA C 62 9.712 -3.371 8.357 1.00 0.00 N ATOM 812 CA ALA C 62 9.823 -4.504 9.241 1.00 0.00 C ATOM 813 C ALA C 62 9.420 -5.808 8.594 1.00 0.00 C ATOM 814 O ALA C 62 10.066 -6.787 8.807 1.00 0.00 O ATOM 815 CB ALA C 62 9.054 -4.228 10.515 1.00 0.00 C ATOM 0 H ALA C 62 8.837 -2.863 8.490 1.00 0.00 H new ATOM 0 HA ALA C 62 10.877 -4.634 9.488 1.00 0.00 H new ATOM 0 HB1 ALA C 62 9.138 -5.085 11.184 1.00 0.00 H new ATOM 0 HB2 ALA C 62 9.465 -3.345 11.004 1.00 0.00 H new ATOM 0 HB3 ALA C 62 8.005 -4.055 10.276 1.00 0.00 H new ATOM 821 N GLY C 63 8.368 -5.841 7.813 1.00 0.00 N ATOM 822 CA GLY C 63 7.651 -7.021 7.405 1.00 0.00 C ATOM 823 C GLY C 63 8.055 -7.644 6.083 1.00 0.00 C ATOM 824 O GLY C 63 7.575 -8.727 5.808 1.00 0.00 O ATOM 0 H GLY C 63 7.966 -4.989 7.421 1.00 0.00 H new ATOM 0 HA2 GLY C 63 7.765 -7.774 8.184 1.00 0.00 H new ATOM 0 HA3 GLY C 63 6.591 -6.773 7.354 1.00 0.00 H new ATOM 828 N GLY C 64 8.890 -7.021 5.263 1.00 0.00 N ATOM 829 CA GLY C 64 9.553 -7.683 4.171 1.00 0.00 C ATOM 830 C GLY C 64 8.619 -8.199 3.103 1.00 0.00 C ATOM 831 O GLY C 64 8.655 -9.337 2.724 1.00 0.00 O ATOM 0 H GLY C 64 9.122 -6.031 5.346 1.00 0.00 H new ATOM 0 HA2 GLY C 64 10.260 -6.990 3.716 1.00 0.00 H new ATOM 0 HA3 GLY C 64 10.133 -8.517 4.565 1.00 0.00 H new ATOM 835 N PHE C 65 7.726 -7.354 2.623 1.00 0.00 N ATOM 836 CA PHE C 65 6.596 -7.673 1.784 1.00 0.00 C ATOM 837 C PHE C 65 6.980 -8.107 0.394 1.00 0.00 C ATOM 838 O PHE C 65 6.408 -8.987 -0.181 1.00 0.00 O ATOM 839 CB PHE C 65 5.705 -6.444 1.767 1.00 0.00 C ATOM 840 CG PHE C 65 4.800 -6.264 2.956 1.00 0.00 C ATOM 841 CD1 PHE C 65 5.366 -5.998 4.202 1.00 0.00 C ATOM 842 CD2 PHE C 65 3.413 -6.194 2.826 1.00 0.00 C ATOM 843 CE1 PHE C 65 4.593 -5.624 5.301 1.00 0.00 C ATOM 844 CE2 PHE C 65 2.607 -5.810 3.898 1.00 0.00 C ATOM 845 CZ PHE C 65 3.209 -5.584 5.137 1.00 0.00 C ATOM 0 H PHE C 65 7.779 -6.356 2.827 1.00 0.00 H new ATOM 0 HA PHE C 65 6.072 -8.536 2.194 1.00 0.00 H new ATOM 0 HB2 PHE C 65 6.340 -5.562 1.683 1.00 0.00 H new ATOM 0 HB3 PHE C 65 5.088 -6.480 0.869 1.00 0.00 H new ATOM 0 HD1 PHE C 65 6.436 -6.084 4.320 1.00 0.00 H new ATOM 0 HD2 PHE C 65 2.955 -6.441 1.880 1.00 0.00 H new ATOM 0 HE1 PHE C 65 5.051 -5.374 6.247 1.00 0.00 H new ATOM 0 HE2 PHE C 65 1.541 -5.690 3.772 1.00 0.00 H new ATOM 0 HZ PHE C 65 2.585 -5.372 5.993 1.00 0.00 H new HETATM 855 N NH2 C 66 7.961 -7.489 -0.227 1.00 0.00 N TER 858 NH2 C 66 HETATM 859 C ACE D 67 6.832 -12.176 4.771 1.00 0.00 C HETATM 860 O ACE D 67 6.318 -13.262 4.589 1.00 0.00 O HETATM 861 CH3 ACE D 67 8.199 -12.097 5.409 1.00 0.00 C HETATM 0 H1 ACE D 67 8.893 -11.610 4.724 1.00 0.00 H new HETATM 0 H2 ACE D 67 8.137 -11.522 6.333 1.00 0.00 H new HETATM 0 H3 ACE D 67 8.555 -13.103 5.632 1.00 0.00 H new ATOM 865 N ALA D 68 6.229 -11.032 4.507 1.00 0.00 N ATOM 866 CA ALA D 68 4.835 -10.822 4.191 1.00 0.00 C ATOM 867 C ALA D 68 3.839 -11.423 5.160 1.00 0.00 C ATOM 868 O ALA D 68 2.652 -11.421 4.885 1.00 0.00 O ATOM 869 CB ALA D 68 4.587 -11.244 2.757 1.00 0.00 C ATOM 0 H ALA D 68 6.749 -10.154 4.509 1.00 0.00 H new ATOM 0 HA ALA D 68 4.648 -9.754 4.305 1.00 0.00 H new ATOM 0 HB1 ALA D 68 3.537 -11.089 2.509 1.00 0.00 H new ATOM 0 HB2 ALA D 68 5.209 -10.648 2.090 1.00 0.00 H new ATOM 0 HB3 ALA D 68 4.836 -12.299 2.640 1.00 0.00 H new ATOM 875 N LYS D 69 4.252 -11.915 6.320 1.00 0.00 N ATOM 876 CA LYS D 69 3.431 -12.339 7.426 1.00 0.00 C ATOM 877 C LYS D 69 2.682 -11.193 8.051 1.00 0.00 C ATOM 878 O LYS D 69 1.627 -11.360 8.616 1.00 0.00 O ATOM 879 CB LYS D 69 4.269 -13.002 8.482 1.00 0.00 C ATOM 880 CG LYS D 69 4.968 -14.273 8.131 1.00 0.00 C ATOM 881 CD LYS D 69 4.145 -15.361 7.643 1.00 0.00 C ATOM 882 CE LYS D 69 4.041 -15.665 6.743 1.00 0.00 C ATOM 883 NZ LYS D 69 3.272 -16.656 6.309 1.00 0.00 N ATOM 0 H LYS D 69 5.245 -12.033 6.519 1.00 0.00 H new ATOM 0 HA LYS D 69 2.706 -13.046 7.022 1.00 0.00 H new ATOM 0 HB2 LYS D 69 5.023 -12.286 8.807 1.00 0.00 H new ATOM 0 HB3 LYS D 69 3.627 -13.201 9.340 1.00 0.00 H new ATOM 0 HG2 LYS D 69 5.719 -14.049 7.373 1.00 0.00 H new ATOM 0 HG3 LYS D 69 5.502 -14.622 9.015 1.00 0.00 H new ATOM 0 HD2 LYS D 69 4.473 -16.237 8.202 1.00 0.00 H new ATOM 0 HD3 LYS D 69 3.136 -15.127 7.981 1.00 0.00 H new ATOM 0 HE2 LYS D 69 3.724 -14.788 6.179 1.00 0.00 H new ATOM 0 HE3 LYS D 69 5.047 -15.914 6.406 1.00 0.00 H new ATOM 0 HZ1 LYS D 69 3.867 -17.400 5.892 1.00 0.00 H new ATOM 0 HZ2 LYS D 69 2.731 -17.050 7.105 1.00 0.00 H new ATOM 0 HZ3 LYS D 69 2.614 -16.295 5.589 1.00 0.00 H new ATOM 897 N ALA D 70 3.233 -9.991 7.913 1.00 0.00 N ATOM 898 CA ALA D 70 2.631 -8.734 8.281 1.00 0.00 C ATOM 899 C ALA D 70 1.500 -8.313 7.367 1.00 0.00 C ATOM 900 O ALA D 70 0.722 -7.459 7.723 1.00 0.00 O ATOM 901 CB ALA D 70 3.768 -7.722 8.223 1.00 0.00 C ATOM 0 H ALA D 70 4.166 -9.872 7.518 1.00 0.00 H new ATOM 0 HA ALA D 70 2.173 -8.811 9.267 1.00 0.00 H new ATOM 0 HB1 ALA D 70 3.391 -6.735 8.491 1.00 0.00 H new ATOM 0 HB2 ALA D 70 4.551 -8.014 8.923 1.00 0.00 H new ATOM 0 HB3 ALA D 70 4.177 -7.692 7.213 1.00 0.00 H new ATOM 907 N ALA D 71 1.386 -8.900 6.187 1.00 0.00 N ATOM 908 CA ALA D 71 0.704 -8.307 5.059 1.00 0.00 C ATOM 909 C ALA D 71 -0.808 -8.354 5.154 1.00 0.00 C ATOM 910 O ALA D 71 -1.422 -7.318 4.941 1.00 0.00 O ATOM 911 CB ALA D 71 1.264 -8.846 3.753 1.00 0.00 C ATOM 0 H ALA D 71 1.775 -9.822 5.987 1.00 0.00 H new ATOM 0 HA ALA D 71 0.915 -7.238 5.081 1.00 0.00 H new ATOM 0 HB1 ALA D 71 0.738 -8.388 2.915 1.00 0.00 H new ATOM 0 HB2 ALA D 71 2.326 -8.610 3.688 1.00 0.00 H new ATOM 0 HB3 ALA D 71 1.130 -9.927 3.718 1.00 0.00 H new ATOM 917 N ALA D 72 -1.421 -9.458 5.555 1.00 0.00 N ATOM 918 CA ALA D 72 -2.852 -9.507 5.725 1.00 0.00 C ATOM 919 C ALA D 72 -3.359 -8.409 6.638 1.00 0.00 C ATOM 920 O ALA D 72 -4.155 -7.578 6.247 1.00 0.00 O ATOM 921 CB ALA D 72 -3.301 -10.909 6.076 1.00 0.00 C ATOM 0 H ALA D 72 -0.940 -10.332 5.768 1.00 0.00 H new ATOM 0 HA ALA D 72 -3.332 -9.284 4.772 1.00 0.00 H new ATOM 0 HB1 ALA D 72 -4.384 -10.924 6.200 1.00 0.00 H new ATOM 0 HB2 ALA D 72 -3.018 -11.593 5.276 1.00 0.00 H new ATOM 0 HB3 ALA D 72 -2.825 -11.221 7.006 1.00 0.00 H new ATOM 927 N ALA D 73 -2.797 -8.274 7.835 1.00 0.00 N ATOM 928 CA ALA D 73 -3.128 -7.224 8.769 1.00 0.00 C ATOM 929 C ALA D 73 -2.807 -5.819 8.294 1.00 0.00 C ATOM 930 O ALA D 73 -3.470 -4.887 8.695 1.00 0.00 O ATOM 931 CB ALA D 73 -2.411 -7.521 10.064 1.00 0.00 C ATOM 0 H ALA D 73 -2.082 -8.912 8.183 1.00 0.00 H new ATOM 0 HA ALA D 73 -4.211 -7.226 8.890 1.00 0.00 H new ATOM 0 HB1 ALA D 73 -2.640 -6.744 10.793 1.00 0.00 H new ATOM 0 HB2 ALA D 73 -2.738 -8.487 10.448 1.00 0.00 H new ATOM 0 HB3 ALA D 73 -1.336 -7.546 9.887 1.00 0.00 H new ATOM 937 N ALA D 74 -1.807 -5.639 7.451 1.00 0.00 N ATOM 938 CA ALA D 74 -1.420 -4.356 6.914 1.00 0.00 C ATOM 939 C ALA D 74 -2.347 -3.895 5.801 1.00 0.00 C ATOM 940 O ALA D 74 -2.829 -2.775 5.782 1.00 0.00 O ATOM 941 CB ALA D 74 0.026 -4.446 6.467 1.00 0.00 C ATOM 0 H ALA D 74 -1.227 -6.407 7.114 1.00 0.00 H new ATOM 0 HA ALA D 74 -1.510 -3.594 7.688 1.00 0.00 H new ATOM 0 HB1 ALA D 74 0.341 -3.486 6.057 1.00 0.00 H new ATOM 0 HB2 ALA D 74 0.655 -4.700 7.320 1.00 0.00 H new ATOM 0 HB3 ALA D 74 0.123 -5.217 5.702 1.00 0.00 H new ATOM 947 N ILE D 75 -2.600 -4.789 4.856 1.00 0.00 N ATOM 948 CA ILE D 75 -3.259 -4.523 3.598 1.00 0.00 C ATOM 949 C ILE D 75 -4.766 -4.465 3.778 1.00 0.00 C ATOM 950 O ILE D 75 -5.441 -3.688 3.114 1.00 0.00 O ATOM 951 CB ILE D 75 -2.867 -5.596 2.597 1.00 0.00 C ATOM 952 CG1 ILE D 75 -1.372 -5.783 2.398 1.00 0.00 C ATOM 953 CG2 ILE D 75 -3.583 -5.337 1.282 1.00 0.00 C ATOM 954 CD1 ILE D 75 -0.739 -4.825 1.408 1.00 0.00 C ATOM 0 H ILE D 75 -2.335 -5.769 4.957 1.00 0.00 H new ATOM 0 HA ILE D 75 -2.942 -3.551 3.221 1.00 0.00 H new ATOM 0 HB ILE D 75 -3.188 -6.547 3.022 1.00 0.00 H new ATOM 0 HG12 ILE D 75 -0.874 -5.670 3.361 1.00 0.00 H new ATOM 0 HG13 ILE D 75 -1.189 -6.804 2.063 1.00 0.00 H new ATOM 0 HG21 ILE D 75 -3.305 -6.104 0.559 1.00 0.00 H new ATOM 0 HG22 ILE D 75 -4.661 -5.363 1.443 1.00 0.00 H new ATOM 0 HG23 ILE D 75 -3.297 -4.357 0.899 1.00 0.00 H new ATOM 0 HD11 ILE D 75 0.328 -5.033 1.331 1.00 0.00 H new ATOM 0 HD12 ILE D 75 -1.205 -4.952 0.431 1.00 0.00 H new ATOM 0 HD13 ILE D 75 -0.885 -3.800 1.749 1.00 0.00 H new ATOM 966 N LYS D 76 -5.298 -5.277 4.686 1.00 0.00 N ATOM 967 CA LYS D 76 -6.708 -5.299 4.997 1.00 0.00 C ATOM 968 C LYS D 76 -7.157 -4.086 5.794 1.00 0.00 C ATOM 969 O LYS D 76 -8.311 -3.701 5.687 1.00 0.00 O ATOM 970 CB LYS D 76 -7.058 -6.578 5.748 1.00 0.00 C ATOM 971 CG LYS D 76 -6.940 -7.830 4.895 1.00 0.00 C ATOM 972 CD LYS D 76 -7.149 -9.116 5.664 1.00 0.00 C ATOM 973 CE LYS D 76 -8.503 -9.234 6.304 1.00 0.00 C ATOM 974 NZ LYS D 76 -8.684 -10.500 6.913 1.00 0.00 N ATOM 0 H LYS D 76 -4.748 -5.943 5.229 1.00 0.00 H new ATOM 0 HA LYS D 76 -7.242 -5.269 4.047 1.00 0.00 H new ATOM 0 HB2 LYS D 76 -6.402 -6.674 6.613 1.00 0.00 H new ATOM 0 HB3 LYS D 76 -8.077 -6.501 6.127 1.00 0.00 H new ATOM 0 HG2 LYS D 76 -7.670 -7.778 4.087 1.00 0.00 H new ATOM 0 HG3 LYS D 76 -5.953 -7.851 4.432 1.00 0.00 H new ATOM 0 HD2 LYS D 76 -7.004 -9.959 4.988 1.00 0.00 H new ATOM 0 HD3 LYS D 76 -6.385 -9.192 6.438 1.00 0.00 H new ATOM 0 HE2 LYS D 76 -8.622 -8.450 7.052 1.00 0.00 H new ATOM 0 HE3 LYS D 76 -9.276 -9.078 5.552 1.00 0.00 H new ATOM 0 HZ1 LYS D 76 -9.629 -10.546 7.344 1.00 0.00 H new ATOM 0 HZ2 LYS D 76 -8.595 -11.247 6.195 1.00 0.00 H new ATOM 0 HZ3 LYS D 76 -7.961 -10.638 7.648 1.00 0.00 H new ATOM 988 N ALA D 77 -6.242 -3.427 6.500 1.00 0.00 N ATOM 989 CA ALA D 77 -6.450 -2.067 6.928 1.00 0.00 C ATOM 990 C ALA D 77 -6.426 -1.124 5.740 1.00 0.00 C ATOM 991 O ALA D 77 -7.408 -0.458 5.464 1.00 0.00 O ATOM 992 CB ALA D 77 -5.409 -1.703 7.972 1.00 0.00 C ATOM 0 H ALA D 77 -5.347 -3.825 6.784 1.00 0.00 H new ATOM 0 HA ALA D 77 -7.435 -1.971 7.385 1.00 0.00 H new ATOM 0 HB1 ALA D 77 -5.564 -0.674 8.297 1.00 0.00 H new ATOM 0 HB2 ALA D 77 -5.502 -2.372 8.827 1.00 0.00 H new ATOM 0 HB3 ALA D 77 -4.412 -1.801 7.542 1.00 0.00 H new ATOM 998 N ILE D 78 -5.324 -1.082 5.000 1.00 0.00 N ATOM 999 CA ILE D 78 -5.063 -0.020 4.056 1.00 0.00 C ATOM 1000 C ILE D 78 -6.056 -0.033 2.907 1.00 0.00 C ATOM 1001 O ILE D 78 -6.503 1.041 2.530 1.00 0.00 O ATOM 1002 CB ILE D 78 -3.594 0.012 3.654 1.00 0.00 C ATOM 1003 CG1 ILE D 78 -2.952 1.390 3.701 1.00 0.00 C ATOM 1004 CG2 ILE D 78 -3.242 -0.700 2.361 1.00 0.00 C ATOM 1005 CD1 ILE D 78 -3.405 2.390 2.698 1.00 0.00 C ATOM 0 H ILE D 78 -4.589 -1.788 5.043 1.00 0.00 H new ATOM 0 HA ILE D 78 -5.235 0.940 4.543 1.00 0.00 H new ATOM 0 HB ILE D 78 -3.150 -0.583 4.452 1.00 0.00 H new ATOM 0 HG12 ILE D 78 -3.122 1.807 4.693 1.00 0.00 H new ATOM 0 HG13 ILE D 78 -1.875 1.264 3.589 1.00 0.00 H new ATOM 0 HG21 ILE D 78 -2.171 -0.611 2.177 1.00 0.00 H new ATOM 0 HG22 ILE D 78 -3.510 -1.753 2.441 1.00 0.00 H new ATOM 0 HG23 ILE D 78 -3.791 -0.247 1.535 1.00 0.00 H new ATOM 0 HD11 ILE D 78 -2.865 3.325 2.847 1.00 0.00 H new ATOM 0 HD12 ILE D 78 -3.208 2.014 1.694 1.00 0.00 H new ATOM 0 HD13 ILE D 78 -4.474 2.565 2.816 1.00 0.00 H new ATOM 1017 N ALA D 79 -6.476 -1.185 2.387 1.00 0.00 N ATOM 1018 CA ALA D 79 -7.487 -1.251 1.359 1.00 0.00 C ATOM 1019 C ALA D 79 -8.874 -0.845 1.821 1.00 0.00 C ATOM 1020 O ALA D 79 -9.669 -0.336 1.043 1.00 0.00 O ATOM 1021 CB ALA D 79 -7.433 -2.625 0.724 1.00 0.00 C ATOM 0 H ALA D 79 -6.117 -2.096 2.674 1.00 0.00 H new ATOM 0 HA ALA D 79 -7.262 -0.499 0.603 1.00 0.00 H new ATOM 0 HB1 ALA D 79 -8.191 -2.695 -0.057 1.00 0.00 H new ATOM 0 HB2 ALA D 79 -6.447 -2.786 0.288 1.00 0.00 H new ATOM 0 HB3 ALA D 79 -7.623 -3.384 1.483 1.00 0.00 H new ATOM 1027 N ALA D 80 -9.186 -0.995 3.108 1.00 0.00 N ATOM 1028 CA ALA D 80 -10.409 -0.531 3.721 1.00 0.00 C ATOM 1029 C ALA D 80 -10.348 0.956 4.023 1.00 0.00 C ATOM 1030 O ALA D 80 -11.330 1.664 3.907 1.00 0.00 O ATOM 1031 CB ALA D 80 -10.704 -1.354 4.959 1.00 0.00 C ATOM 0 H ALA D 80 -8.564 -1.462 3.768 1.00 0.00 H new ATOM 0 HA ALA D 80 -11.231 -0.668 3.019 1.00 0.00 H new ATOM 0 HB1 ALA D 80 -11.627 -1.001 5.419 1.00 0.00 H new ATOM 0 HB2 ALA D 80 -10.814 -2.402 4.681 1.00 0.00 H new ATOM 0 HB3 ALA D 80 -9.883 -1.251 5.668 1.00 0.00 H new ATOM 1037 N ILE D 81 -9.156 1.464 4.330 1.00 0.00 N ATOM 1038 CA ILE D 81 -8.881 2.867 4.541 1.00 0.00 C ATOM 1039 C ILE D 81 -8.939 3.589 3.208 1.00 0.00 C ATOM 1040 O ILE D 81 -9.583 4.626 3.141 1.00 0.00 O ATOM 1041 CB ILE D 81 -7.573 3.040 5.298 1.00 0.00 C ATOM 1042 CG1 ILE D 81 -7.669 2.487 6.713 1.00 0.00 C ATOM 1043 CG2 ILE D 81 -7.157 4.501 5.382 1.00 0.00 C ATOM 1044 CD1 ILE D 81 -6.340 2.193 7.372 1.00 0.00 C ATOM 0 H ILE D 81 -8.328 0.878 4.441 1.00 0.00 H new ATOM 0 HA ILE D 81 -9.640 3.325 5.175 1.00 0.00 H new ATOM 0 HB ILE D 81 -6.824 2.482 4.736 1.00 0.00 H new ATOM 0 HG12 ILE D 81 -8.214 3.201 7.330 1.00 0.00 H new ATOM 0 HG13 ILE D 81 -8.258 1.570 6.690 1.00 0.00 H new ATOM 0 HG21 ILE D 81 -6.218 4.581 5.930 1.00 0.00 H new ATOM 0 HG22 ILE D 81 -7.025 4.900 4.376 1.00 0.00 H new ATOM 0 HG23 ILE D 81 -7.929 5.070 5.900 1.00 0.00 H new ATOM 0 HD11 ILE D 81 -6.510 1.803 8.376 1.00 0.00 H new ATOM 0 HD12 ILE D 81 -5.797 1.454 6.783 1.00 0.00 H new ATOM 0 HD13 ILE D 81 -5.753 3.110 7.433 1.00 0.00 H new ATOM 1056 N ILE D 82 -8.390 3.029 2.134 1.00 0.00 N ATOM 1057 CA ILE D 82 -8.564 3.459 0.767 1.00 0.00 C ATOM 1058 C ILE D 82 -10.012 3.560 0.327 1.00 0.00 C ATOM 1059 O ILE D 82 -10.393 4.564 -0.251 1.00 0.00 O ATOM 1060 CB ILE D 82 -7.763 2.592 -0.193 1.00 0.00 C ATOM 1061 CG1 ILE D 82 -6.291 2.897 0.007 1.00 0.00 C ATOM 1062 CG2 ILE D 82 -8.111 2.847 -1.653 1.00 0.00 C ATOM 1063 CD1 ILE D 82 -5.280 1.942 -0.609 1.00 0.00 C ATOM 0 H ILE D 82 -7.778 2.216 2.208 1.00 0.00 H new ATOM 0 HA ILE D 82 -8.173 4.476 0.734 1.00 0.00 H new ATOM 0 HB ILE D 82 -8.002 1.551 0.025 1.00 0.00 H new ATOM 0 HG12 ILE D 82 -6.098 3.893 -0.392 1.00 0.00 H new ATOM 0 HG13 ILE D 82 -6.100 2.941 1.079 1.00 0.00 H new ATOM 0 HG21 ILE D 82 -7.508 2.200 -2.289 1.00 0.00 H new ATOM 0 HG22 ILE D 82 -9.167 2.635 -1.818 1.00 0.00 H new ATOM 0 HG23 ILE D 82 -7.907 3.889 -1.899 1.00 0.00 H new ATOM 0 HD11 ILE D 82 -4.270 2.286 -0.384 1.00 0.00 H new ATOM 0 HD12 ILE D 82 -5.423 0.944 -0.195 1.00 0.00 H new ATOM 0 HD13 ILE D 82 -5.421 1.911 -1.689 1.00 0.00 H new ATOM 1075 N LYS D 83 -10.841 2.584 0.666 1.00 0.00 N ATOM 1076 CA LYS D 83 -12.259 2.621 0.394 1.00 0.00 C ATOM 1077 C LYS D 83 -12.983 3.792 1.030 1.00 0.00 C ATOM 1078 O LYS D 83 -13.888 4.325 0.412 1.00 0.00 O ATOM 1079 CB LYS D 83 -12.799 1.244 0.743 1.00 0.00 C ATOM 1080 CG LYS D 83 -14.305 1.126 0.832 1.00 0.00 C ATOM 1081 CD LYS D 83 -15.035 1.314 -0.472 1.00 0.00 C ATOM 1082 CE LYS D 83 -14.884 0.151 -1.384 1.00 0.00 C ATOM 1083 NZ LYS D 83 -15.711 0.262 -2.522 1.00 0.00 N ATOM 0 H LYS D 83 -10.538 1.735 1.144 1.00 0.00 H new ATOM 0 HA LYS D 83 -12.447 2.822 -0.661 1.00 0.00 H new ATOM 0 HB2 LYS D 83 -12.442 0.535 -0.004 1.00 0.00 H new ATOM 0 HB3 LYS D 83 -12.373 0.940 1.699 1.00 0.00 H new ATOM 0 HG2 LYS D 83 -14.555 0.144 1.233 1.00 0.00 H new ATOM 0 HG3 LYS D 83 -14.671 1.864 1.546 1.00 0.00 H new ATOM 0 HD2 LYS D 83 -16.094 1.478 -0.271 1.00 0.00 H new ATOM 0 HD3 LYS D 83 -14.662 2.210 -0.967 1.00 0.00 H new ATOM 0 HE2 LYS D 83 -13.844 0.069 -1.698 1.00 0.00 H new ATOM 0 HE3 LYS D 83 -15.128 -0.765 -0.847 1.00 0.00 H new ATOM 0 HZ1 LYS D 83 -15.575 -0.569 -3.132 1.00 0.00 H new ATOM 0 HZ2 LYS D 83 -16.706 0.314 -2.224 1.00 0.00 H new ATOM 0 HZ3 LYS D 83 -15.462 1.123 -3.050 1.00 0.00 H new ATOM 1097 N ALA D 84 -12.529 4.283 2.177 1.00 0.00 N ATOM 1098 CA ALA D 84 -12.944 5.525 2.785 1.00 0.00 C ATOM 1099 C ALA D 84 -12.266 6.731 2.168 1.00 0.00 C ATOM 1100 O ALA D 84 -12.942 7.713 1.913 1.00 0.00 O ATOM 1101 CB ALA D 84 -12.712 5.419 4.272 1.00 0.00 C ATOM 0 H ALA D 84 -11.825 3.794 2.730 1.00 0.00 H new ATOM 0 HA ALA D 84 -14.006 5.686 2.597 1.00 0.00 H new ATOM 0 HB1 ALA D 84 -13.018 6.347 4.755 1.00 0.00 H new ATOM 0 HB2 ALA D 84 -13.296 4.591 4.673 1.00 0.00 H new ATOM 0 HB3 ALA D 84 -11.654 5.243 4.463 1.00 0.00 H new ATOM 1107 N GLY D 85 -10.968 6.692 1.920 1.00 0.00 N ATOM 1108 CA GLY D 85 -10.137 7.823 1.606 1.00 0.00 C ATOM 1109 C GLY D 85 -10.145 8.292 0.168 1.00 0.00 C ATOM 1110 O GLY D 85 -10.121 9.486 -0.028 1.00 0.00 O ATOM 0 H GLY D 85 -10.444 5.817 1.935 1.00 0.00 H new ATOM 0 HA2 GLY D 85 -10.444 8.657 2.238 1.00 0.00 H new ATOM 0 HA3 GLY D 85 -9.111 7.577 1.878 1.00 0.00 H new ATOM 1114 N GLY D 86 -10.175 7.406 -0.809 1.00 0.00 N ATOM 1115 CA GLY D 86 -10.077 7.730 -2.206 1.00 0.00 C ATOM 1116 C GLY D 86 -8.697 8.222 -2.562 1.00 0.00 C ATOM 1117 O GLY D 86 -8.572 9.323 -3.001 1.00 0.00 O ATOM 0 H GLY D 86 -10.272 6.405 -0.637 1.00 0.00 H new ATOM 0 HA2 GLY D 86 -10.316 6.850 -2.803 1.00 0.00 H new ATOM 0 HA3 GLY D 86 -10.813 8.494 -2.456 1.00 0.00 H new ATOM 1121 N PHE D 87 -7.674 7.409 -2.380 1.00 0.00 N ATOM 1122 CA PHE D 87 -6.276 7.750 -2.466 1.00 0.00 C ATOM 1123 C PHE D 87 -5.823 8.131 -3.858 1.00 0.00 C ATOM 1124 O PHE D 87 -5.005 9.012 -4.026 1.00 0.00 O ATOM 1125 CB PHE D 87 -5.477 6.581 -1.916 1.00 0.00 C ATOM 1126 CG PHE D 87 -5.395 6.464 -0.421 1.00 0.00 C ATOM 1127 CD1 PHE D 87 -6.548 6.428 0.359 1.00 0.00 C ATOM 1128 CD2 PHE D 87 -4.156 6.235 0.181 1.00 0.00 C ATOM 1129 CE1 PHE D 87 -6.501 6.089 1.708 1.00 0.00 C ATOM 1130 CE2 PHE D 87 -4.074 5.921 1.536 1.00 0.00 C ATOM 1131 CZ PHE D 87 -5.249 5.890 2.282 1.00 0.00 C ATOM 0 H PHE D 87 -7.813 6.425 -2.152 1.00 0.00 H new ATOM 0 HA PHE D 87 -6.104 8.648 -1.872 1.00 0.00 H new ATOM 0 HB2 PHE D 87 -5.909 5.660 -2.306 1.00 0.00 H new ATOM 0 HB3 PHE D 87 -4.462 6.648 -2.308 1.00 0.00 H new ATOM 0 HD1 PHE D 87 -7.499 6.668 -0.093 1.00 0.00 H new ATOM 0 HD2 PHE D 87 -3.254 6.302 -0.409 1.00 0.00 H new ATOM 0 HE1 PHE D 87 -7.405 5.984 2.289 1.00 0.00 H new ATOM 0 HE2 PHE D 87 -3.121 5.707 1.997 1.00 0.00 H new ATOM 0 HZ PHE D 87 -5.187 5.705 3.344 1.00 0.00 H new HETATM 1141 N NH2 D 88 -6.343 7.507 -4.900 1.00 0.00 N TER 1144 NH2 D 88