USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 587 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 : A 21 TYR OH : rot 83:sc= 1.06 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 : B 43 TYR OH : rot 90:sc= -0.186 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 : C 65 TYR OH : rot 120:sc= 0.705 USER MOD Single : D 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 83 LYS NZ :NH3+ -126:sc= 1.03 (180deg=-0.0617) USER MOD Single : D 87 TYR OH : rot 83:sc= 0.87 USER MOD ----------------------------------------------------------------- ATOM 17 N LYS A 3 0.749 14.272 -1.584 1.00 0.00 N ATOM 18 CA LYS A 3 1.692 14.077 -2.654 1.00 0.00 C ATOM 19 C LYS A 3 2.265 12.677 -2.728 1.00 0.00 C ATOM 20 O LYS A 3 2.543 12.206 -3.812 1.00 0.00 O ATOM 21 CB LYS A 3 2.878 14.997 -2.472 1.00 0.00 C ATOM 22 CG LYS A 3 2.537 16.441 -2.517 1.00 0.00 C ATOM 23 CD LYS A 3 3.750 17.329 -2.469 1.00 0.00 C ATOM 24 CE LYS A 3 3.318 18.743 -2.371 1.00 0.00 C ATOM 25 NZ LYS A 3 4.406 19.674 -2.431 1.00 0.00 N ATOM 0 HA LYS A 3 1.126 14.278 -3.563 1.00 0.00 H new ATOM 0 HB2 LYS A 3 3.352 14.776 -1.516 1.00 0.00 H new ATOM 0 HB3 LYS A 3 3.612 14.784 -3.249 1.00 0.00 H new ATOM 0 HG2 LYS A 3 1.976 16.649 -3.428 1.00 0.00 H new ATOM 0 HG3 LYS A 3 1.883 16.681 -1.679 1.00 0.00 H new ATOM 0 HD2 LYS A 3 4.373 17.067 -1.614 1.00 0.00 H new ATOM 0 HD3 LYS A 3 4.357 17.183 -3.362 1.00 0.00 H new ATOM 0 HE2 LYS A 3 2.619 18.959 -3.179 1.00 0.00 H new ATOM 0 HE3 LYS A 3 2.777 18.886 -1.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 4.038 20.644 -2.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 5.062 19.492 -1.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 4.909 19.563 -3.335 1.00 0.00 H new ATOM 39 N ALA A 4 2.460 12.050 -1.576 1.00 0.00 N ATOM 40 CA ALA A 4 2.871 10.686 -1.368 1.00 0.00 C ATOM 41 C ALA A 4 1.997 9.671 -2.078 1.00 0.00 C ATOM 42 O ALA A 4 2.416 8.566 -2.391 1.00 0.00 O ATOM 43 CB ALA A 4 2.823 10.435 0.127 1.00 0.00 C ATOM 0 H ALA A 4 2.319 12.535 -0.690 1.00 0.00 H new ATOM 0 HA ALA A 4 3.870 10.560 -1.785 1.00 0.00 H new ATOM 0 HB1 ALA A 4 3.128 9.409 0.334 1.00 0.00 H new ATOM 0 HB2 ALA A 4 3.499 11.124 0.633 1.00 0.00 H new ATOM 0 HB3 ALA A 4 1.807 10.592 0.490 1.00 0.00 H new ATOM 49 N ALA A 5 0.757 10.062 -2.313 1.00 0.00 N ATOM 50 CA ALA A 5 -0.342 9.208 -2.701 1.00 0.00 C ATOM 51 C ALA A 5 -0.130 8.595 -4.072 1.00 0.00 C ATOM 52 O ALA A 5 0.411 7.504 -4.170 1.00 0.00 O ATOM 53 CB ALA A 5 -1.685 9.865 -2.424 1.00 0.00 C ATOM 0 H ALA A 5 0.479 11.040 -2.232 1.00 0.00 H new ATOM 0 HA ALA A 5 -0.366 8.329 -2.057 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -2.488 9.194 -2.728 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -1.773 10.077 -1.358 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -1.758 10.796 -2.986 1.00 0.00 H new ATOM 59 N ALA A 6 -0.424 9.285 -5.168 1.00 0.00 N ATOM 60 CA ALA A 6 -0.205 8.744 -6.488 1.00 0.00 C ATOM 61 C ALA A 6 1.208 8.405 -6.831 1.00 0.00 C ATOM 62 O ALA A 6 1.421 7.700 -7.692 1.00 0.00 O ATOM 63 CB ALA A 6 -0.828 9.659 -7.476 1.00 0.00 C ATOM 0 H ALA A 6 -0.817 10.226 -5.159 1.00 0.00 H new ATOM 0 HA ALA A 6 -0.685 7.766 -6.512 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -0.674 9.268 -8.482 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -1.897 9.736 -7.277 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -0.372 10.646 -7.396 1.00 0.00 H new ATOM 69 N ALA A 7 2.220 8.829 -6.107 1.00 0.00 N ATOM 70 CA ALA A 7 3.580 8.382 -6.237 1.00 0.00 C ATOM 71 C ALA A 7 3.802 6.988 -5.710 1.00 0.00 C ATOM 72 O ALA A 7 4.679 6.385 -6.150 1.00 0.00 O ATOM 73 CB ALA A 7 4.523 9.361 -5.586 1.00 0.00 C ATOM 0 H ALA A 7 2.106 9.531 -5.376 1.00 0.00 H new ATOM 0 HA ALA A 7 3.792 8.339 -7.305 1.00 0.00 H new ATOM 0 HB1 ALA A 7 5.548 9.006 -5.694 1.00 0.00 H new ATOM 0 HB2 ALA A 7 4.424 10.335 -6.065 1.00 0.00 H new ATOM 0 HB3 ALA A 7 4.280 9.451 -4.527 1.00 0.00 H new ATOM 79 N ALA A 8 3.002 6.427 -4.861 1.00 0.00 N ATOM 80 CA ALA A 8 3.054 5.060 -4.441 1.00 0.00 C ATOM 81 C ALA A 8 1.862 4.275 -4.924 1.00 0.00 C ATOM 82 O ALA A 8 2.012 3.257 -5.581 1.00 0.00 O ATOM 83 CB ALA A 8 3.178 4.993 -2.941 1.00 0.00 C ATOM 0 H ALA A 8 2.245 6.944 -4.413 1.00 0.00 H new ATOM 0 HA ALA A 8 3.934 4.600 -4.891 1.00 0.00 H new ATOM 0 HB1 ALA A 8 3.217 3.950 -2.625 1.00 0.00 H new ATOM 0 HB2 ALA A 8 4.090 5.501 -2.628 1.00 0.00 H new ATOM 0 HB3 ALA A 8 2.317 5.479 -2.483 1.00 0.00 H new ATOM 89 N ILE A 9 0.660 4.785 -4.708 1.00 0.00 N ATOM 90 CA ILE A 9 -0.589 4.120 -4.999 1.00 0.00 C ATOM 91 C ILE A 9 -0.799 3.902 -6.485 1.00 0.00 C ATOM 92 O ILE A 9 -1.355 2.885 -6.866 1.00 0.00 O ATOM 93 CB ILE A 9 -1.780 4.855 -4.410 1.00 0.00 C ATOM 94 CG1 ILE A 9 -1.614 5.271 -2.961 1.00 0.00 C ATOM 95 CG2 ILE A 9 -3.056 4.037 -4.538 1.00 0.00 C ATOM 96 CD1 ILE A 9 -1.206 4.158 -2.037 1.00 0.00 C ATOM 0 H ILE A 9 0.528 5.714 -4.308 1.00 0.00 H new ATOM 0 HA ILE A 9 -0.518 3.142 -4.522 1.00 0.00 H new ATOM 0 HB ILE A 9 -1.847 5.769 -5.001 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -0.868 6.064 -2.907 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -2.554 5.694 -2.607 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -3.889 4.592 -4.107 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -3.258 3.840 -5.591 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -2.937 3.092 -4.008 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -1.110 4.544 -1.022 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -1.962 3.373 -2.057 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -0.249 3.749 -2.361 1.00 0.00 H new ATOM 108 N LYS A 10 -0.342 4.813 -7.337 1.00 0.00 N ATOM 109 CA LYS A 10 -0.563 4.716 -8.761 1.00 0.00 C ATOM 110 C LYS A 10 0.276 3.603 -9.359 1.00 0.00 C ATOM 111 O LYS A 10 -0.220 2.855 -10.185 1.00 0.00 O ATOM 112 CB LYS A 10 -0.254 6.080 -9.354 1.00 0.00 C ATOM 113 CG LYS A 10 -1.094 6.520 -10.528 1.00 0.00 C ATOM 114 CD LYS A 10 -0.628 6.130 -11.806 1.00 0.00 C ATOM 115 CE LYS A 10 -1.491 6.586 -12.917 1.00 0.00 C ATOM 116 NZ LYS A 10 -1.079 6.293 -14.176 1.00 0.00 N ATOM 0 H LYS A 10 0.190 5.635 -7.053 1.00 0.00 H new ATOM 0 HA LYS A 10 -1.596 4.453 -8.990 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -0.358 6.825 -8.565 1.00 0.00 H new ATOM 0 HB3 LYS A 10 0.791 6.087 -9.663 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -2.102 6.127 -10.395 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -1.170 7.607 -10.507 1.00 0.00 H new ATOM 0 HD2 LYS A 10 0.377 6.525 -11.953 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -0.552 5.043 -11.839 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -2.482 6.154 -12.776 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -1.600 7.668 -12.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -1.767 6.665 -14.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -0.150 6.728 -14.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -1.004 5.262 -14.286 1.00 0.00 H new ATOM 130 N ALA A 11 1.483 3.380 -8.849 1.00 0.00 N ATOM 131 CA ALA A 11 2.254 2.170 -9.013 1.00 0.00 C ATOM 132 C ALA A 11 1.545 0.974 -8.412 1.00 0.00 C ATOM 133 O ALA A 11 1.325 -0.009 -9.102 1.00 0.00 O ATOM 134 CB ALA A 11 3.667 2.369 -8.490 1.00 0.00 C ATOM 0 H ALA A 11 1.967 4.078 -8.284 1.00 0.00 H new ATOM 0 HA ALA A 11 2.344 1.947 -10.076 1.00 0.00 H new ATOM 0 HB1 ALA A 11 4.236 1.449 -8.620 1.00 0.00 H new ATOM 0 HB2 ALA A 11 4.149 3.175 -9.043 1.00 0.00 H new ATOM 0 HB3 ALA A 11 3.630 2.626 -7.431 1.00 0.00 H new ATOM 140 N ILE A 12 1.168 1.009 -7.137 1.00 0.00 N ATOM 141 CA ILE A 12 0.759 -0.168 -6.402 1.00 0.00 C ATOM 142 C ILE A 12 -0.547 -0.715 -6.948 1.00 0.00 C ATOM 143 O ILE A 12 -0.627 -1.911 -7.187 1.00 0.00 O ATOM 144 CB ILE A 12 0.785 0.039 -4.900 1.00 0.00 C ATOM 145 CG1 ILE A 12 1.384 -1.197 -4.263 1.00 0.00 C ATOM 146 CG2 ILE A 12 -0.571 0.338 -4.285 1.00 0.00 C ATOM 147 CD1 ILE A 12 1.443 -1.204 -2.752 1.00 0.00 C ATOM 0 H ILE A 12 1.140 1.867 -6.586 1.00 0.00 H new ATOM 0 HA ILE A 12 1.502 -0.949 -6.564 1.00 0.00 H new ATOM 0 HB ILE A 12 1.388 0.926 -4.707 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.808 -2.064 -4.588 1.00 0.00 H new ATOM 0 HG13 ILE A 12 2.396 -1.324 -4.647 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.461 0.472 -3.209 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -0.977 1.249 -4.724 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -1.250 -0.492 -4.480 1.00 0.00 H new ATOM 0 HD11 ILE A 12 1.890 -2.137 -2.410 1.00 0.00 H new ATOM 0 HD12 ILE A 12 2.047 -0.364 -2.408 1.00 0.00 H new ATOM 0 HD13 ILE A 12 0.434 -1.115 -2.348 1.00 0.00 H new ATOM 159 N ALA A 13 -1.504 0.143 -7.296 1.00 0.00 N ATOM 160 CA ALA A 13 -2.747 -0.334 -7.857 1.00 0.00 C ATOM 161 C ALA A 13 -2.624 -0.975 -9.229 1.00 0.00 C ATOM 162 O ALA A 13 -3.486 -1.740 -9.613 1.00 0.00 O ATOM 163 CB ALA A 13 -3.751 0.800 -7.860 1.00 0.00 C ATOM 0 H ALA A 13 -1.436 1.156 -7.198 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.091 -1.147 -7.218 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.693 0.450 -8.282 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.916 1.143 -6.839 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -3.368 1.624 -8.462 1.00 0.00 H new ATOM 169 N ALA A 14 -1.535 -0.754 -9.944 1.00 0.00 N ATOM 170 CA ALA A 14 -1.191 -1.470 -11.144 1.00 0.00 C ATOM 171 C ALA A 14 -0.385 -2.719 -10.869 1.00 0.00 C ATOM 172 O ALA A 14 -0.640 -3.739 -11.454 1.00 0.00 O ATOM 173 CB ALA A 14 -0.453 -0.517 -12.064 1.00 0.00 C ATOM 0 H ALA A 14 -0.847 -0.045 -9.690 1.00 0.00 H new ATOM 0 HA ALA A 14 -2.105 -1.821 -11.623 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -0.180 -1.036 -12.983 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -1.097 0.330 -12.303 1.00 0.00 H new ATOM 0 HB3 ALA A 14 0.449 -0.158 -11.569 1.00 0.00 H new ATOM 179 N ILE A 15 0.559 -2.648 -9.941 1.00 0.00 N ATOM 180 CA ILE A 15 1.388 -3.722 -9.455 1.00 0.00 C ATOM 181 C ILE A 15 0.598 -4.762 -8.688 1.00 0.00 C ATOM 182 O ILE A 15 0.934 -5.932 -8.706 1.00 0.00 O ATOM 183 CB ILE A 15 2.566 -3.180 -8.669 1.00 0.00 C ATOM 184 CG1 ILE A 15 3.506 -2.345 -9.506 1.00 0.00 C ATOM 185 CG2 ILE A 15 3.356 -4.301 -8.030 1.00 0.00 C ATOM 186 CD1 ILE A 15 4.402 -1.393 -8.749 1.00 0.00 C ATOM 0 H ILE A 15 0.775 -1.765 -9.478 1.00 0.00 H new ATOM 0 HA ILE A 15 1.791 -4.246 -10.321 1.00 0.00 H new ATOM 0 HB ILE A 15 2.133 -2.537 -7.903 1.00 0.00 H new ATOM 0 HG12 ILE A 15 4.135 -3.017 -10.090 1.00 0.00 H new ATOM 0 HG13 ILE A 15 2.913 -1.767 -10.215 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.195 -3.883 -7.473 1.00 0.00 H new ATOM 0 HG22 ILE A 15 2.711 -4.859 -7.351 1.00 0.00 H new ATOM 0 HG23 ILE A 15 3.732 -4.969 -8.805 1.00 0.00 H new ATOM 0 HD11 ILE A 15 5.031 -0.848 -9.453 1.00 0.00 H new ATOM 0 HD12 ILE A 15 3.791 -0.687 -8.187 1.00 0.00 H new ATOM 0 HD13 ILE A 15 5.031 -1.956 -8.060 1.00 0.00 H new ATOM 198 N ILE A 16 -0.489 -4.412 -8.007 1.00 0.00 N ATOM 199 CA ILE A 16 -1.395 -5.340 -7.373 1.00 0.00 C ATOM 200 C ILE A 16 -1.954 -6.343 -8.367 1.00 0.00 C ATOM 201 O ILE A 16 -1.928 -7.540 -8.124 1.00 0.00 O ATOM 202 CB ILE A 16 -2.474 -4.585 -6.610 1.00 0.00 C ATOM 203 CG1 ILE A 16 -1.870 -4.051 -5.326 1.00 0.00 C ATOM 204 CG2 ILE A 16 -3.651 -5.506 -6.326 1.00 0.00 C ATOM 205 CD1 ILE A 16 -2.764 -3.178 -4.478 1.00 0.00 C ATOM 0 H ILE A 16 -0.765 -3.438 -7.882 1.00 0.00 H new ATOM 0 HA ILE A 16 -0.841 -5.930 -6.643 1.00 0.00 H new ATOM 0 HB ILE A 16 -2.846 -3.750 -7.203 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -1.547 -4.899 -4.722 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -0.976 -3.481 -5.580 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -4.418 -4.958 -5.780 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -4.065 -5.869 -7.267 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -3.314 -6.353 -5.727 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -2.222 -2.858 -3.588 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -3.069 -2.303 -5.052 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -3.648 -3.742 -4.181 1.00 0.00 H new ATOM 217 N LYS A 17 -2.399 -5.852 -9.515 1.00 0.00 N ATOM 218 CA LYS A 17 -2.900 -6.622 -10.624 1.00 0.00 C ATOM 219 C LYS A 17 -1.807 -7.337 -11.389 1.00 0.00 C ATOM 220 O LYS A 17 -1.959 -8.488 -11.736 1.00 0.00 O ATOM 221 CB LYS A 17 -3.685 -5.712 -11.535 1.00 0.00 C ATOM 222 CG LYS A 17 -4.685 -6.438 -12.370 1.00 0.00 C ATOM 223 CD LYS A 17 -5.508 -5.539 -13.248 1.00 0.00 C ATOM 224 CE LYS A 17 -4.791 -5.068 -14.416 1.00 0.00 C ATOM 225 NZ LYS A 17 -5.552 -4.260 -15.284 1.00 0.00 N ATOM 0 H LYS A 17 -2.417 -4.849 -9.699 1.00 0.00 H new ATOM 0 HA LYS A 17 -3.546 -7.404 -10.225 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -4.199 -4.962 -10.934 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -2.994 -5.179 -12.188 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -4.164 -7.164 -12.995 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -5.351 -7.001 -11.716 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -6.401 -6.075 -13.570 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -5.843 -4.681 -12.665 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -3.918 -4.504 -14.087 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -4.423 -5.930 -14.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -4.964 -3.968 -16.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -6.372 -4.798 -15.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -5.883 -3.417 -14.773 1.00 0.00 H new ATOM 239 N ALA A 18 -0.679 -6.678 -11.625 1.00 0.00 N ATOM 240 CA ALA A 18 0.395 -7.164 -12.453 1.00 0.00 C ATOM 241 C ALA A 18 1.390 -8.041 -11.733 1.00 0.00 C ATOM 242 O ALA A 18 1.719 -9.104 -12.211 1.00 0.00 O ATOM 243 CB ALA A 18 1.056 -6.009 -13.143 1.00 0.00 C ATOM 0 H ALA A 18 -0.490 -5.758 -11.226 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.051 -7.826 -13.196 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.869 -6.376 -13.770 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.326 -5.490 -13.763 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.455 -5.320 -12.398 1.00 0.00 H new ATOM 249 N GLY A 19 1.788 -7.658 -10.538 1.00 0.00 N ATOM 250 CA GLY A 19 2.511 -8.423 -9.557 1.00 0.00 C ATOM 251 C GLY A 19 1.690 -9.608 -9.105 1.00 0.00 C ATOM 252 O GLY A 19 2.199 -10.693 -8.983 1.00 0.00 O ATOM 0 H GLY A 19 1.593 -6.715 -10.203 1.00 0.00 H new ATOM 0 HA2 GLY A 19 3.456 -8.766 -9.978 1.00 0.00 H new ATOM 0 HA3 GLY A 19 2.754 -7.793 -8.701 1.00 0.00 H new ATOM 256 N GLY A 20 0.396 -9.425 -8.919 1.00 0.00 N ATOM 257 CA GLY A 20 -0.605 -10.449 -8.735 1.00 0.00 C ATOM 258 C GLY A 20 -0.824 -10.863 -7.302 1.00 0.00 C ATOM 259 O GLY A 20 -0.795 -12.014 -7.015 1.00 0.00 O ATOM 0 H GLY A 20 -0.007 -8.489 -8.891 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -1.550 -10.092 -9.145 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -0.318 -11.327 -9.313 1.00 0.00 H new ATOM 263 N TYR A 21 -1.087 -9.935 -6.407 1.00 0.00 N ATOM 264 CA TYR A 21 -1.591 -10.248 -5.100 1.00 0.00 C ATOM 265 C TYR A 21 -2.911 -10.974 -5.166 1.00 0.00 C ATOM 266 O TYR A 21 -3.717 -10.702 -6.000 1.00 0.00 O ATOM 267 CB TYR A 21 -1.717 -9.004 -4.239 1.00 0.00 C ATOM 268 CG TYR A 21 -0.455 -8.312 -3.799 1.00 0.00 C ATOM 269 CD1 TYR A 21 0.419 -8.767 -2.835 1.00 0.00 C ATOM 270 CD2 TYR A 21 -0.214 -7.078 -4.369 1.00 0.00 C ATOM 271 CE1 TYR A 21 1.538 -8.002 -2.495 1.00 0.00 C ATOM 272 CE2 TYR A 21 0.903 -6.303 -4.050 1.00 0.00 C ATOM 273 CZ TYR A 21 1.800 -6.780 -3.115 1.00 0.00 C ATOM 274 OH TYR A 21 2.940 -6.093 -2.837 1.00 0.00 O ATOM 0 H TYR A 21 -0.954 -8.937 -6.573 1.00 0.00 H new ATOM 0 HA TYR A 21 -0.864 -10.914 -4.636 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -2.320 -8.280 -4.787 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -2.278 -9.274 -3.344 1.00 0.00 H new ATOM 0 HD1 TYR A 21 0.239 -9.712 -2.344 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -0.919 -6.696 -5.092 1.00 0.00 H new ATOM 0 HE1 TYR A 21 2.215 -8.365 -1.736 1.00 0.00 H new ATOM 0 HE2 TYR A 21 1.062 -5.347 -4.526 1.00 0.00 H new ATOM 0 HH TYR A 21 3.676 -6.447 -3.379 1.00 0.00 H new ATOM 294 N ALA B 24 1.540 -13.927 -2.809 1.00 0.00 N ATOM 295 CA ALA B 24 2.358 -13.179 -1.888 1.00 0.00 C ATOM 296 C ALA B 24 3.752 -12.827 -2.345 1.00 0.00 C ATOM 297 O ALA B 24 4.340 -11.944 -1.755 1.00 0.00 O ATOM 298 CB ALA B 24 2.396 -13.950 -0.586 1.00 0.00 C ATOM 0 HA ALA B 24 1.888 -12.200 -1.787 1.00 0.00 H new ATOM 0 HB1 ALA B 24 3.008 -13.412 0.138 1.00 0.00 H new ATOM 0 HB2 ALA B 24 1.384 -14.057 -0.197 1.00 0.00 H new ATOM 0 HB3 ALA B 24 2.824 -14.937 -0.760 1.00 0.00 H new ATOM 304 N LYS B 25 4.310 -13.408 -3.397 1.00 0.00 N ATOM 305 CA LYS B 25 5.577 -13.014 -3.956 1.00 0.00 C ATOM 306 C LYS B 25 5.556 -11.616 -4.539 1.00 0.00 C ATOM 307 O LYS B 25 6.598 -11.001 -4.674 1.00 0.00 O ATOM 308 CB LYS B 25 5.969 -13.952 -5.085 1.00 0.00 C ATOM 309 CG LYS B 25 6.379 -15.342 -4.652 1.00 0.00 C ATOM 310 CD LYS B 25 6.907 -16.242 -5.738 1.00 0.00 C ATOM 311 CE LYS B 25 5.916 -16.600 -6.784 1.00 0.00 C ATOM 312 NZ LYS B 25 4.953 -17.535 -6.391 1.00 0.00 N ATOM 0 H LYS B 25 3.875 -14.187 -3.892 1.00 0.00 H new ATOM 0 HA LYS B 25 6.287 -13.050 -3.130 1.00 0.00 H new ATOM 0 HB2 LYS B 25 5.129 -14.036 -5.775 1.00 0.00 H new ATOM 0 HB3 LYS B 25 6.793 -13.503 -5.640 1.00 0.00 H new ATOM 0 HG2 LYS B 25 7.143 -15.250 -3.880 1.00 0.00 H new ATOM 0 HG3 LYS B 25 5.518 -15.827 -4.192 1.00 0.00 H new ATOM 0 HD2 LYS B 25 7.757 -15.754 -6.214 1.00 0.00 H new ATOM 0 HD3 LYS B 25 7.280 -17.159 -5.282 1.00 0.00 H new ATOM 0 HE2 LYS B 25 5.408 -15.692 -7.108 1.00 0.00 H new ATOM 0 HE3 LYS B 25 6.450 -16.992 -7.650 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 4.307 -17.722 -7.184 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 5.422 -18.420 -6.111 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 4.413 -17.159 -5.586 1.00 0.00 H new ATOM 326 N ALA B 26 4.391 -11.068 -4.862 1.00 0.00 N ATOM 327 CA ALA B 26 4.212 -9.676 -5.193 1.00 0.00 C ATOM 328 C ALA B 26 4.643 -8.709 -4.105 1.00 0.00 C ATOM 329 O ALA B 26 4.698 -7.511 -4.330 1.00 0.00 O ATOM 330 CB ALA B 26 2.742 -9.488 -5.527 1.00 0.00 C ATOM 0 H ALA B 26 3.524 -11.604 -4.899 1.00 0.00 H new ATOM 0 HA ALA B 26 4.861 -9.439 -6.036 1.00 0.00 H new ATOM 0 HB1 ALA B 26 2.558 -8.445 -5.785 1.00 0.00 H new ATOM 0 HB2 ALA B 26 2.477 -10.123 -6.372 1.00 0.00 H new ATOM 0 HB3 ALA B 26 2.135 -9.761 -4.664 1.00 0.00 H new ATOM 336 N ALA B 27 4.945 -9.203 -2.909 1.00 0.00 N ATOM 337 CA ALA B 27 5.192 -8.420 -1.720 1.00 0.00 C ATOM 338 C ALA B 27 6.480 -7.627 -1.793 1.00 0.00 C ATOM 339 O ALA B 27 6.451 -6.495 -2.247 1.00 0.00 O ATOM 340 CB ALA B 27 5.010 -9.281 -0.481 1.00 0.00 C ATOM 0 H ALA B 27 5.026 -10.206 -2.743 1.00 0.00 H new ATOM 0 HA ALA B 27 4.440 -7.635 -1.645 1.00 0.00 H new ATOM 0 HB1 ALA B 27 5.198 -8.681 0.410 1.00 0.00 H new ATOM 0 HB2 ALA B 27 3.990 -9.665 -0.451 1.00 0.00 H new ATOM 0 HB3 ALA B 27 5.711 -10.115 -0.512 1.00 0.00 H new ATOM 346 N ALA B 28 7.604 -8.200 -1.382 1.00 0.00 N ATOM 347 CA ALA B 28 8.863 -7.515 -1.197 1.00 0.00 C ATOM 348 C ALA B 28 9.561 -7.166 -2.496 1.00 0.00 C ATOM 349 O ALA B 28 10.754 -6.902 -2.504 1.00 0.00 O ATOM 350 CB ALA B 28 9.689 -8.325 -0.228 1.00 0.00 C ATOM 0 H ALA B 28 7.659 -9.194 -1.161 1.00 0.00 H new ATOM 0 HA ALA B 28 8.690 -6.530 -0.764 1.00 0.00 H new ATOM 0 HB1 ALA B 28 10.648 -7.833 -0.067 1.00 0.00 H new ATOM 0 HB2 ALA B 28 9.160 -8.407 0.721 1.00 0.00 H new ATOM 0 HB3 ALA B 28 9.857 -9.321 -0.637 1.00 0.00 H new ATOM 356 N ALA B 29 8.824 -7.067 -3.597 1.00 0.00 N ATOM 357 CA ALA B 29 9.128 -6.562 -4.916 1.00 0.00 C ATOM 358 C ALA B 29 8.351 -5.308 -5.257 1.00 0.00 C ATOM 359 O ALA B 29 8.778 -4.530 -6.077 1.00 0.00 O ATOM 360 CB ALA B 29 8.887 -7.648 -5.934 1.00 0.00 C ATOM 0 H ALA B 29 7.857 -7.390 -3.570 1.00 0.00 H new ATOM 0 HA ALA B 29 10.179 -6.275 -4.931 1.00 0.00 H new ATOM 0 HB1 ALA B 29 9.116 -7.270 -6.930 1.00 0.00 H new ATOM 0 HB2 ALA B 29 9.528 -8.502 -5.714 1.00 0.00 H new ATOM 0 HB3 ALA B 29 7.843 -7.959 -5.894 1.00 0.00 H new ATOM 366 N ALA B 30 7.234 -5.069 -4.607 1.00 0.00 N ATOM 367 CA ALA B 30 6.472 -3.844 -4.683 1.00 0.00 C ATOM 368 C ALA B 30 6.578 -3.073 -3.382 1.00 0.00 C ATOM 369 O ALA B 30 7.065 -1.952 -3.362 1.00 0.00 O ATOM 370 CB ALA B 30 5.018 -4.138 -4.970 1.00 0.00 C ATOM 0 H ALA B 30 6.813 -5.756 -3.982 1.00 0.00 H new ATOM 0 HA ALA B 30 6.883 -3.243 -5.494 1.00 0.00 H new ATOM 0 HB1 ALA B 30 4.461 -3.202 -5.023 1.00 0.00 H new ATOM 0 HB2 ALA B 30 4.934 -4.665 -5.920 1.00 0.00 H new ATOM 0 HB3 ALA B 30 4.608 -4.759 -4.173 1.00 0.00 H new ATOM 376 N ILE B 31 6.234 -3.691 -2.257 1.00 0.00 N ATOM 377 CA ILE B 31 6.283 -3.180 -0.909 1.00 0.00 C ATOM 378 C ILE B 31 7.625 -2.533 -0.616 1.00 0.00 C ATOM 379 O ILE B 31 7.665 -1.492 0.028 1.00 0.00 O ATOM 380 CB ILE B 31 5.981 -4.250 0.127 1.00 0.00 C ATOM 381 CG1 ILE B 31 4.647 -4.952 -0.077 1.00 0.00 C ATOM 382 CG2 ILE B 31 6.042 -3.670 1.527 1.00 0.00 C ATOM 383 CD1 ILE B 31 3.422 -4.107 0.056 1.00 0.00 C ATOM 0 H ILE B 31 5.883 -4.649 -2.278 1.00 0.00 H new ATOM 0 HA ILE B 31 5.503 -2.422 -0.837 1.00 0.00 H new ATOM 0 HB ILE B 31 6.754 -5.007 -0.003 1.00 0.00 H new ATOM 0 HG12 ILE B 31 4.646 -5.401 -1.070 1.00 0.00 H new ATOM 0 HG13 ILE B 31 4.578 -5.769 0.642 1.00 0.00 H new ATOM 0 HG21 ILE B 31 5.823 -4.452 2.254 1.00 0.00 H new ATOM 0 HG22 ILE B 31 7.039 -3.271 1.712 1.00 0.00 H new ATOM 0 HG23 ILE B 31 5.308 -2.870 1.622 1.00 0.00 H new ATOM 0 HD11 ILE B 31 2.537 -4.721 -0.111 1.00 0.00 H new ATOM 0 HD12 ILE B 31 3.383 -3.678 1.057 1.00 0.00 H new ATOM 0 HD13 ILE B 31 3.452 -3.305 -0.681 1.00 0.00 H new ATOM 395 N LYS B 32 8.728 -3.067 -1.135 1.00 0.00 N ATOM 396 CA LYS B 32 10.034 -2.466 -1.007 1.00 0.00 C ATOM 397 C LYS B 32 10.100 -1.003 -1.402 1.00 0.00 C ATOM 398 O LYS B 32 10.315 -0.121 -0.594 1.00 0.00 O ATOM 399 CB LYS B 32 10.999 -3.341 -1.794 1.00 0.00 C ATOM 400 CG LYS B 32 10.804 -3.683 -3.261 1.00 0.00 C ATOM 401 CD LYS B 32 12.074 -4.201 -3.907 1.00 0.00 C ATOM 402 CE LYS B 32 13.086 -3.116 -4.153 1.00 0.00 C ATOM 403 NZ LYS B 32 14.297 -3.598 -4.782 1.00 0.00 N ATOM 0 H LYS B 32 8.730 -3.941 -1.661 1.00 0.00 H new ATOM 0 HA LYS B 32 10.310 -2.433 0.047 1.00 0.00 H new ATOM 0 HB2 LYS B 32 11.978 -2.869 -1.715 1.00 0.00 H new ATOM 0 HB3 LYS B 32 11.059 -4.290 -1.261 1.00 0.00 H new ATOM 0 HG2 LYS B 32 10.019 -4.434 -3.355 1.00 0.00 H new ATOM 0 HG3 LYS B 32 10.463 -2.797 -3.796 1.00 0.00 H new ATOM 0 HD2 LYS B 32 12.516 -4.966 -3.268 1.00 0.00 H new ATOM 0 HD3 LYS B 32 11.825 -4.681 -4.853 1.00 0.00 H new ATOM 0 HE2 LYS B 32 12.639 -2.347 -4.783 1.00 0.00 H new ATOM 0 HE3 LYS B 32 13.340 -2.643 -3.204 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 14.954 -2.804 -4.925 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 14.744 -4.312 -4.172 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 14.064 -4.025 -5.702 1.00 0.00 H new ATOM 417 N ALA B 33 9.785 -0.779 -2.672 1.00 0.00 N ATOM 418 CA ALA B 33 9.556 0.455 -3.372 1.00 0.00 C ATOM 419 C ALA B 33 8.305 1.193 -2.934 1.00 0.00 C ATOM 420 O ALA B 33 7.876 2.131 -3.587 1.00 0.00 O ATOM 421 CB ALA B 33 9.579 0.176 -4.861 1.00 0.00 C ATOM 0 H ALA B 33 9.673 -1.570 -3.307 1.00 0.00 H new ATOM 0 HA ALA B 33 10.361 1.144 -3.116 1.00 0.00 H new ATOM 0 HB1 ALA B 33 9.407 1.103 -5.408 1.00 0.00 H new ATOM 0 HB2 ALA B 33 10.550 -0.234 -5.139 1.00 0.00 H new ATOM 0 HB3 ALA B 33 8.797 -0.542 -5.109 1.00 0.00 H new ATOM 427 N ILE B 34 7.692 0.780 -1.830 1.00 0.00 N ATOM 428 CA ILE B 34 6.585 1.456 -1.196 1.00 0.00 C ATOM 429 C ILE B 34 6.959 1.832 0.224 1.00 0.00 C ATOM 430 O ILE B 34 6.903 3.018 0.514 1.00 0.00 O ATOM 431 CB ILE B 34 5.267 0.703 -1.325 1.00 0.00 C ATOM 432 CG1 ILE B 34 4.814 0.468 -2.757 1.00 0.00 C ATOM 433 CG2 ILE B 34 4.166 1.325 -0.490 1.00 0.00 C ATOM 434 CD1 ILE B 34 4.274 1.669 -3.500 1.00 0.00 C ATOM 0 H ILE B 34 7.970 -0.070 -1.339 1.00 0.00 H new ATOM 0 HA ILE B 34 6.392 2.385 -1.733 1.00 0.00 H new ATOM 0 HB ILE B 34 5.477 -0.287 -0.921 1.00 0.00 H new ATOM 0 HG12 ILE B 34 5.658 0.069 -3.320 1.00 0.00 H new ATOM 0 HG13 ILE B 34 4.043 -0.303 -2.749 1.00 0.00 H new ATOM 0 HG21 ILE B 34 3.247 0.753 -0.615 1.00 0.00 H new ATOM 0 HG22 ILE B 34 4.458 1.318 0.560 1.00 0.00 H new ATOM 0 HG23 ILE B 34 4.001 2.353 -0.813 1.00 0.00 H new ATOM 0 HD11 ILE B 34 3.985 1.373 -4.509 1.00 0.00 H new ATOM 0 HD12 ILE B 34 3.404 2.062 -2.974 1.00 0.00 H new ATOM 0 HD13 ILE B 34 5.043 2.439 -3.554 1.00 0.00 H new ATOM 446 N ALA B 35 7.428 0.963 1.117 1.00 0.00 N ATOM 447 CA ALA B 35 7.757 1.309 2.476 1.00 0.00 C ATOM 448 C ALA B 35 8.844 2.347 2.631 1.00 0.00 C ATOM 449 O ALA B 35 8.849 3.119 3.571 1.00 0.00 O ATOM 450 CB ALA B 35 8.058 0.013 3.194 1.00 0.00 C ATOM 0 H ALA B 35 7.589 -0.020 0.900 1.00 0.00 H new ATOM 0 HA ALA B 35 6.905 1.816 2.928 1.00 0.00 H new ATOM 0 HB1 ALA B 35 8.314 0.223 4.232 1.00 0.00 H new ATOM 0 HB2 ALA B 35 7.181 -0.634 3.160 1.00 0.00 H new ATOM 0 HB3 ALA B 35 8.896 -0.486 2.708 1.00 0.00 H new ATOM 456 N ALA B 36 9.740 2.417 1.655 1.00 0.00 N ATOM 457 CA ALA B 36 10.713 3.463 1.497 1.00 0.00 C ATOM 458 C ALA B 36 10.080 4.770 1.059 1.00 0.00 C ATOM 459 O ALA B 36 10.378 5.835 1.540 1.00 0.00 O ATOM 460 CB ALA B 36 11.780 3.010 0.529 1.00 0.00 C ATOM 0 H ALA B 36 9.802 1.708 0.924 1.00 0.00 H new ATOM 0 HA ALA B 36 11.171 3.659 2.466 1.00 0.00 H new ATOM 0 HB1 ALA B 36 12.520 3.801 0.407 1.00 0.00 H new ATOM 0 HB2 ALA B 36 12.267 2.115 0.917 1.00 0.00 H new ATOM 0 HB3 ALA B 36 11.325 2.787 -0.436 1.00 0.00 H new ATOM 466 N ILE B 37 9.140 4.711 0.139 1.00 0.00 N ATOM 467 CA ILE B 37 8.384 5.803 -0.435 1.00 0.00 C ATOM 468 C ILE B 37 7.405 6.384 0.570 1.00 0.00 C ATOM 469 O ILE B 37 7.229 7.586 0.642 1.00 0.00 O ATOM 470 CB ILE B 37 7.738 5.322 -1.724 1.00 0.00 C ATOM 471 CG1 ILE B 37 8.669 5.386 -2.924 1.00 0.00 C ATOM 472 CG2 ILE B 37 6.467 6.065 -2.088 1.00 0.00 C ATOM 473 CD1 ILE B 37 9.910 4.507 -2.922 1.00 0.00 C ATOM 0 H ILE B 37 8.861 3.816 -0.262 1.00 0.00 H new ATOM 0 HA ILE B 37 9.044 6.633 -0.689 1.00 0.00 H new ATOM 0 HB ILE B 37 7.494 4.283 -1.502 1.00 0.00 H new ATOM 0 HG12 ILE B 37 8.086 5.136 -3.811 1.00 0.00 H new ATOM 0 HG13 ILE B 37 8.994 6.420 -3.037 1.00 0.00 H new ATOM 0 HG21 ILE B 37 6.066 5.665 -3.019 1.00 0.00 H new ATOM 0 HG22 ILE B 37 5.732 5.940 -1.293 1.00 0.00 H new ATOM 0 HG23 ILE B 37 6.689 7.125 -2.214 1.00 0.00 H new ATOM 0 HD11 ILE B 37 10.470 4.666 -3.844 1.00 0.00 H new ATOM 0 HD12 ILE B 37 10.537 4.764 -2.068 1.00 0.00 H new ATOM 0 HD13 ILE B 37 9.614 3.460 -2.853 1.00 0.00 H new ATOM 485 N ILE B 38 6.821 5.564 1.437 1.00 0.00 N ATOM 486 CA ILE B 38 6.015 5.986 2.559 1.00 0.00 C ATOM 487 C ILE B 38 6.755 6.964 3.445 1.00 0.00 C ATOM 488 O ILE B 38 6.264 8.035 3.738 1.00 0.00 O ATOM 489 CB ILE B 38 5.525 4.779 3.348 1.00 0.00 C ATOM 490 CG1 ILE B 38 4.481 4.040 2.527 1.00 0.00 C ATOM 491 CG2 ILE B 38 4.951 5.177 4.696 1.00 0.00 C ATOM 492 CD1 ILE B 38 3.835 2.828 3.172 1.00 0.00 C ATOM 0 H ILE B 38 6.904 4.550 1.368 1.00 0.00 H new ATOM 0 HA ILE B 38 5.145 6.512 2.167 1.00 0.00 H new ATOM 0 HB ILE B 38 6.377 4.128 3.543 1.00 0.00 H new ATOM 0 HG12 ILE B 38 3.693 4.746 2.265 1.00 0.00 H new ATOM 0 HG13 ILE B 38 4.946 3.721 1.594 1.00 0.00 H new ATOM 0 HG21 ILE B 38 4.614 4.286 5.225 1.00 0.00 H new ATOM 0 HG22 ILE B 38 5.719 5.680 5.284 1.00 0.00 H new ATOM 0 HG23 ILE B 38 4.108 5.852 4.548 1.00 0.00 H new ATOM 0 HD11 ILE B 38 3.110 2.393 2.484 1.00 0.00 H new ATOM 0 HD12 ILE B 38 4.601 2.089 3.407 1.00 0.00 H new ATOM 0 HD13 ILE B 38 3.329 3.130 4.089 1.00 0.00 H new ATOM 504 N LYS B 39 7.938 6.567 3.888 1.00 0.00 N ATOM 505 CA LYS B 39 8.819 7.382 4.682 1.00 0.00 C ATOM 506 C LYS B 39 9.202 8.677 4.021 1.00 0.00 C ATOM 507 O LYS B 39 9.115 9.695 4.669 1.00 0.00 O ATOM 508 CB LYS B 39 10.015 6.555 5.081 1.00 0.00 C ATOM 509 CG LYS B 39 11.101 7.194 5.855 1.00 0.00 C ATOM 510 CD LYS B 39 10.732 7.735 7.169 1.00 0.00 C ATOM 511 CE LYS B 39 10.494 6.722 8.156 1.00 0.00 C ATOM 512 NZ LYS B 39 10.318 7.289 9.423 1.00 0.00 N ATOM 0 H LYS B 39 8.315 5.639 3.694 1.00 0.00 H new ATOM 0 HA LYS B 39 8.282 7.694 5.578 1.00 0.00 H new ATOM 0 HB2 LYS B 39 9.651 5.708 5.662 1.00 0.00 H new ATOM 0 HB3 LYS B 39 10.454 6.150 4.169 1.00 0.00 H new ATOM 0 HG2 LYS B 39 11.896 6.462 5.997 1.00 0.00 H new ATOM 0 HG3 LYS B 39 11.517 8.004 5.256 1.00 0.00 H new ATOM 0 HD2 LYS B 39 11.527 8.393 7.519 1.00 0.00 H new ATOM 0 HD3 LYS B 39 9.836 8.346 7.063 1.00 0.00 H new ATOM 0 HE2 LYS B 39 9.609 6.146 7.885 1.00 0.00 H new ATOM 0 HE3 LYS B 39 11.333 6.026 8.178 1.00 0.00 H new ATOM 0 HZ1 LYS B 39 10.147 6.536 10.120 1.00 0.00 H new ATOM 0 HZ2 LYS B 39 11.173 7.819 9.688 1.00 0.00 H new ATOM 0 HZ3 LYS B 39 9.503 7.934 9.404 1.00 0.00 H new ATOM 526 N ALA B 40 9.514 8.685 2.739 1.00 0.00 N ATOM 527 CA ALA B 40 9.868 9.865 1.999 1.00 0.00 C ATOM 528 C ALA B 40 8.709 10.761 1.670 1.00 0.00 C ATOM 529 O ALA B 40 8.882 11.956 1.641 1.00 0.00 O ATOM 530 CB ALA B 40 10.621 9.446 0.771 1.00 0.00 C ATOM 0 H ALA B 40 9.526 7.837 2.172 1.00 0.00 H new ATOM 0 HA ALA B 40 10.500 10.481 2.639 1.00 0.00 H new ATOM 0 HB1 ALA B 40 10.899 10.329 0.195 1.00 0.00 H new ATOM 0 HB2 ALA B 40 11.521 8.905 1.063 1.00 0.00 H new ATOM 0 HB3 ALA B 40 9.991 8.799 0.161 1.00 0.00 H new ATOM 536 N GLY B 41 7.551 10.195 1.402 1.00 0.00 N ATOM 537 CA GLY B 41 6.295 10.825 1.085 1.00 0.00 C ATOM 538 C GLY B 41 5.635 11.522 2.252 1.00 0.00 C ATOM 539 O GLY B 41 5.051 12.550 2.061 1.00 0.00 O ATOM 0 H GLY B 41 7.462 9.179 1.402 1.00 0.00 H new ATOM 0 HA2 GLY B 41 6.457 11.551 0.288 1.00 0.00 H new ATOM 0 HA3 GLY B 41 5.612 10.070 0.695 1.00 0.00 H new ATOM 543 N GLY B 42 5.701 10.984 3.453 1.00 0.00 N ATOM 544 CA GLY B 42 5.134 11.584 4.637 1.00 0.00 C ATOM 545 C GLY B 42 3.666 11.300 4.858 1.00 0.00 C ATOM 546 O GLY B 42 2.963 12.184 5.257 1.00 0.00 O ATOM 0 H GLY B 42 6.164 10.093 3.634 1.00 0.00 H new ATOM 0 HA2 GLY B 42 5.691 11.233 5.506 1.00 0.00 H new ATOM 0 HA3 GLY B 42 5.275 12.663 4.582 1.00 0.00 H new ATOM 550 N TYR B 43 3.212 10.091 4.581 1.00 0.00 N ATOM 551 CA TYR B 43 1.876 9.613 4.801 1.00 0.00 C ATOM 552 C TYR B 43 1.422 9.597 6.229 1.00 0.00 C ATOM 553 O TYR B 43 0.274 9.572 6.507 1.00 0.00 O ATOM 554 CB TYR B 43 1.835 8.213 4.235 1.00 0.00 C ATOM 555 CG TYR B 43 1.674 8.023 2.754 1.00 0.00 C ATOM 556 CD1 TYR B 43 0.582 8.481 2.016 1.00 0.00 C ATOM 557 CD2 TYR B 43 2.576 7.162 2.134 1.00 0.00 C ATOM 558 CE1 TYR B 43 0.344 8.027 0.717 1.00 0.00 C ATOM 559 CE2 TYR B 43 2.388 6.706 0.830 1.00 0.00 C ATOM 560 CZ TYR B 43 1.226 7.097 0.149 1.00 0.00 C ATOM 561 OH TYR B 43 1.012 6.634 -1.107 1.00 0.00 O ATOM 0 H TYR B 43 3.813 9.377 4.170 1.00 0.00 H new ATOM 0 HA TYR B 43 1.189 10.305 4.314 1.00 0.00 H new ATOM 0 HB2 TYR B 43 2.757 7.713 4.531 1.00 0.00 H new ATOM 0 HB3 TYR B 43 1.016 7.686 4.724 1.00 0.00 H new ATOM 0 HD1 TYR B 43 -0.092 9.200 2.458 1.00 0.00 H new ATOM 0 HD2 TYR B 43 3.449 6.837 2.681 1.00 0.00 H new ATOM 0 HE1 TYR B 43 -0.507 8.387 0.158 1.00 0.00 H new ATOM 0 HE2 TYR B 43 3.119 6.068 0.356 1.00 0.00 H new ATOM 0 HH TYR B 43 1.471 7.212 -1.751 1.00 0.00 H new ATOM 581 N ALA C 46 -6.702 11.570 -3.546 1.00 0.00 N ATOM 582 CA ALA C 46 -5.691 11.537 -2.529 1.00 0.00 C ATOM 583 C ALA C 46 -6.181 11.893 -1.149 1.00 0.00 C ATOM 584 O ALA C 46 -5.412 11.758 -0.228 1.00 0.00 O ATOM 585 CB ALA C 46 -4.552 12.431 -2.940 1.00 0.00 C ATOM 0 HA ALA C 46 -5.359 10.502 -2.448 1.00 0.00 H new ATOM 0 HB1 ALA C 46 -3.779 12.412 -2.172 1.00 0.00 H new ATOM 0 HB2 ALA C 46 -4.135 12.079 -3.884 1.00 0.00 H new ATOM 0 HB3 ALA C 46 -4.916 13.451 -3.063 1.00 0.00 H new ATOM 591 N LYS C 47 -7.432 12.275 -0.953 1.00 0.00 N ATOM 592 CA LYS C 47 -8.096 12.313 0.322 1.00 0.00 C ATOM 593 C LYS C 47 -8.111 10.973 1.013 1.00 0.00 C ATOM 594 O LYS C 47 -8.071 10.911 2.224 1.00 0.00 O ATOM 595 CB LYS C 47 -9.540 12.712 0.151 1.00 0.00 C ATOM 596 CG LYS C 47 -9.856 13.980 -0.613 1.00 0.00 C ATOM 597 CD LYS C 47 -9.448 15.267 0.046 1.00 0.00 C ATOM 598 CE LYS C 47 -8.028 15.638 -0.117 1.00 0.00 C ATOM 599 NZ LYS C 47 -7.754 16.941 0.397 1.00 0.00 N ATOM 0 H LYS C 47 -8.033 12.579 -1.719 1.00 0.00 H new ATOM 0 HA LYS C 47 -7.537 13.032 0.921 1.00 0.00 H new ATOM 0 HB2 LYS C 47 -10.054 11.889 -0.346 1.00 0.00 H new ATOM 0 HB3 LYS C 47 -9.977 12.807 1.145 1.00 0.00 H new ATOM 0 HG2 LYS C 47 -9.370 13.924 -1.587 1.00 0.00 H new ATOM 0 HG3 LYS C 47 -10.930 14.013 -0.794 1.00 0.00 H new ATOM 0 HD2 LYS C 47 -10.065 16.072 -0.354 1.00 0.00 H new ATOM 0 HD3 LYS C 47 -9.668 15.196 1.111 1.00 0.00 H new ATOM 0 HE2 LYS C 47 -7.401 14.907 0.394 1.00 0.00 H new ATOM 0 HE3 LYS C 47 -7.763 15.602 -1.174 1.00 0.00 H new ATOM 0 HZ1 LYS C 47 -6.747 17.162 0.263 1.00 0.00 H new ATOM 0 HZ2 LYS C 47 -8.333 17.642 -0.108 1.00 0.00 H new ATOM 0 HZ3 LYS C 47 -7.983 16.969 1.411 1.00 0.00 H new ATOM 613 N ALA C 48 -8.105 9.885 0.252 1.00 0.00 N ATOM 614 CA ALA C 48 -8.073 8.515 0.700 1.00 0.00 C ATOM 615 C ALA C 48 -6.795 8.117 1.406 1.00 0.00 C ATOM 616 O ALA C 48 -6.679 6.991 1.867 1.00 0.00 O ATOM 617 CB ALA C 48 -8.291 7.645 -0.527 1.00 0.00 C ATOM 0 H ALA C 48 -8.124 9.952 -0.766 1.00 0.00 H new ATOM 0 HA ALA C 48 -8.854 8.383 1.449 1.00 0.00 H new ATOM 0 HB1 ALA C 48 -8.275 6.595 -0.236 1.00 0.00 H new ATOM 0 HB2 ALA C 48 -9.256 7.883 -0.975 1.00 0.00 H new ATOM 0 HB3 ALA C 48 -7.499 7.833 -1.252 1.00 0.00 H new ATOM 623 N ALA C 49 -5.802 9.002 1.449 1.00 0.00 N ATOM 624 CA ALA C 49 -4.427 8.721 1.779 1.00 0.00 C ATOM 625 C ALA C 49 -4.254 8.247 3.208 1.00 0.00 C ATOM 626 O ALA C 49 -4.222 7.053 3.464 1.00 0.00 O ATOM 627 CB ALA C 49 -3.512 9.820 1.281 1.00 0.00 C ATOM 0 H ALA C 49 -5.956 9.989 1.241 1.00 0.00 H new ATOM 0 HA ALA C 49 -4.088 7.846 1.224 1.00 0.00 H new ATOM 0 HB1 ALA C 49 -2.481 9.582 1.544 1.00 0.00 H new ATOM 0 HB2 ALA C 49 -3.600 9.904 0.198 1.00 0.00 H new ATOM 0 HB3 ALA C 49 -3.795 10.766 1.743 1.00 0.00 H new ATOM 633 N ALA C 50 -4.082 9.155 4.167 1.00 0.00 N ATOM 634 CA ALA C 50 -3.807 8.758 5.524 1.00 0.00 C ATOM 635 C ALA C 50 -4.900 7.942 6.169 1.00 0.00 C ATOM 636 O ALA C 50 -4.638 7.130 7.026 1.00 0.00 O ATOM 637 CB ALA C 50 -3.426 9.974 6.328 1.00 0.00 C ATOM 0 H ALA C 50 -4.130 10.163 4.019 1.00 0.00 H new ATOM 0 HA ALA C 50 -2.963 8.068 5.500 1.00 0.00 H new ATOM 0 HB1 ALA C 50 -3.217 9.679 7.356 1.00 0.00 H new ATOM 0 HB2 ALA C 50 -2.538 10.433 5.894 1.00 0.00 H new ATOM 0 HB3 ALA C 50 -4.248 10.690 6.316 1.00 0.00 H new ATOM 643 N ALA C 51 -6.132 8.024 5.697 1.00 0.00 N ATOM 644 CA ALA C 51 -7.250 7.198 6.080 1.00 0.00 C ATOM 645 C ALA C 51 -7.168 5.749 5.643 1.00 0.00 C ATOM 646 O ALA C 51 -7.983 4.933 6.049 1.00 0.00 O ATOM 647 CB ALA C 51 -8.519 7.841 5.561 1.00 0.00 C ATOM 0 H ALA C 51 -6.388 8.715 4.992 1.00 0.00 H new ATOM 0 HA ALA C 51 -7.240 7.148 7.169 1.00 0.00 H new ATOM 0 HB1 ALA C 51 -9.377 7.230 5.841 1.00 0.00 H new ATOM 0 HB2 ALA C 51 -8.626 8.836 5.993 1.00 0.00 H new ATOM 0 HB3 ALA C 51 -8.469 7.920 4.475 1.00 0.00 H new ATOM 653 N ALA C 52 -6.137 5.393 4.883 1.00 0.00 N ATOM 654 CA ALA C 52 -5.715 4.029 4.690 1.00 0.00 C ATOM 655 C ALA C 52 -4.281 3.838 5.107 1.00 0.00 C ATOM 656 O ALA C 52 -3.969 3.001 5.936 1.00 0.00 O ATOM 657 CB ALA C 52 -5.950 3.659 3.257 1.00 0.00 C ATOM 0 H ALA C 52 -5.565 6.069 4.377 1.00 0.00 H new ATOM 0 HA ALA C 52 -6.300 3.363 5.324 1.00 0.00 H new ATOM 0 HB1 ALA C 52 -5.636 2.628 3.091 1.00 0.00 H new ATOM 0 HB2 ALA C 52 -7.011 3.757 3.025 1.00 0.00 H new ATOM 0 HB3 ALA C 52 -5.374 4.322 2.611 1.00 0.00 H new ATOM 663 N ILE C 53 -3.365 4.594 4.512 1.00 0.00 N ATOM 664 CA ILE C 53 -1.941 4.384 4.592 1.00 0.00 C ATOM 665 C ILE C 53 -1.410 4.539 6.007 1.00 0.00 C ATOM 666 O ILE C 53 -0.427 3.914 6.376 1.00 0.00 O ATOM 667 CB ILE C 53 -1.213 5.286 3.607 1.00 0.00 C ATOM 668 CG1 ILE C 53 -1.747 5.275 2.184 1.00 0.00 C ATOM 669 CG2 ILE C 53 0.256 4.898 3.556 1.00 0.00 C ATOM 670 CD1 ILE C 53 -2.052 3.904 1.636 1.00 0.00 C ATOM 0 H ILE C 53 -3.614 5.401 3.939 1.00 0.00 H new ATOM 0 HA ILE C 53 -1.744 3.349 4.311 1.00 0.00 H new ATOM 0 HB ILE C 53 -1.374 6.295 3.987 1.00 0.00 H new ATOM 0 HG12 ILE C 53 -2.655 5.877 2.147 1.00 0.00 H new ATOM 0 HG13 ILE C 53 -1.018 5.758 1.533 1.00 0.00 H new ATOM 0 HG21 ILE C 53 0.779 5.544 2.850 1.00 0.00 H new ATOM 0 HG22 ILE C 53 0.697 5.011 4.546 1.00 0.00 H new ATOM 0 HG23 ILE C 53 0.347 3.860 3.235 1.00 0.00 H new ATOM 0 HD11 ILE C 53 -2.427 3.995 0.617 1.00 0.00 H new ATOM 0 HD12 ILE C 53 -1.143 3.302 1.636 1.00 0.00 H new ATOM 0 HD13 ILE C 53 -2.806 3.423 2.259 1.00 0.00 H new ATOM 682 N LYS C 54 -2.070 5.313 6.861 1.00 0.00 N ATOM 683 CA LYS C 54 -1.556 5.583 8.183 1.00 0.00 C ATOM 684 C LYS C 54 -1.759 4.407 9.113 1.00 0.00 C ATOM 685 O LYS C 54 -0.868 4.117 9.886 1.00 0.00 O ATOM 686 CB LYS C 54 -2.208 6.870 8.667 1.00 0.00 C ATOM 687 CG LYS C 54 -1.402 7.800 9.556 1.00 0.00 C ATOM 688 CD LYS C 54 -1.211 7.356 10.989 1.00 0.00 C ATOM 689 CE LYS C 54 -2.490 7.324 11.770 1.00 0.00 C ATOM 690 NZ LYS C 54 -2.267 7.109 13.176 1.00 0.00 N ATOM 0 H LYS C 54 -2.962 5.761 6.654 1.00 0.00 H new ATOM 0 HA LYS C 54 -0.475 5.722 8.163 1.00 0.00 H new ATOM 0 HB2 LYS C 54 -2.517 7.436 7.788 1.00 0.00 H new ATOM 0 HB3 LYS C 54 -3.116 6.599 9.207 1.00 0.00 H new ATOM 0 HG2 LYS C 54 -0.419 7.937 9.106 1.00 0.00 H new ATOM 0 HG3 LYS C 54 -1.889 8.775 9.562 1.00 0.00 H new ATOM 0 HD2 LYS C 54 -0.761 6.363 10.999 1.00 0.00 H new ATOM 0 HD3 LYS C 54 -0.509 8.029 11.481 1.00 0.00 H new ATOM 0 HE2 LYS C 54 -3.023 8.264 11.629 1.00 0.00 H new ATOM 0 HE3 LYS C 54 -3.131 6.533 11.381 1.00 0.00 H new ATOM 0 HZ1 LYS C 54 -3.180 7.095 13.674 1.00 0.00 H new ATOM 0 HZ2 LYS C 54 -1.782 6.200 13.316 1.00 0.00 H new ATOM 0 HZ3 LYS C 54 -1.678 7.877 13.555 1.00 0.00 H new ATOM 704 N ALA C 55 -2.879 3.706 8.992 1.00 0.00 N ATOM 705 CA ALA C 55 -3.038 2.378 9.538 1.00 0.00 C ATOM 706 C ALA C 55 -2.167 1.346 8.848 1.00 0.00 C ATOM 707 O ALA C 55 -1.514 0.555 9.508 1.00 0.00 O ATOM 708 CB ALA C 55 -4.499 1.997 9.470 1.00 0.00 C ATOM 0 H ALA C 55 -3.706 4.053 8.506 1.00 0.00 H new ATOM 0 HA ALA C 55 -2.704 2.394 10.576 1.00 0.00 H new ATOM 0 HB1 ALA C 55 -4.633 0.996 9.879 1.00 0.00 H new ATOM 0 HB2 ALA C 55 -5.088 2.708 10.050 1.00 0.00 H new ATOM 0 HB3 ALA C 55 -4.831 2.012 8.432 1.00 0.00 H new ATOM 714 N ILE C 56 -2.102 1.361 7.522 1.00 0.00 N ATOM 715 CA ILE C 56 -1.478 0.309 6.752 1.00 0.00 C ATOM 716 C ILE C 56 0.019 0.358 6.987 1.00 0.00 C ATOM 717 O ILE C 56 0.610 -0.696 7.161 1.00 0.00 O ATOM 718 CB ILE C 56 -1.903 0.353 5.301 1.00 0.00 C ATOM 719 CG1 ILE C 56 -3.319 -0.122 5.126 1.00 0.00 C ATOM 720 CG2 ILE C 56 -0.974 -0.388 4.363 1.00 0.00 C ATOM 721 CD1 ILE C 56 -3.595 -1.587 5.253 1.00 0.00 C ATOM 0 H ILE C 56 -2.487 2.114 6.952 1.00 0.00 H new ATOM 0 HA ILE C 56 -1.819 -0.670 7.089 1.00 0.00 H new ATOM 0 HB ILE C 56 -1.844 1.404 5.020 1.00 0.00 H new ATOM 0 HG12 ILE C 56 -3.937 0.398 5.858 1.00 0.00 H new ATOM 0 HG13 ILE C 56 -3.657 0.196 4.140 1.00 0.00 H new ATOM 0 HG21 ILE C 56 -1.348 -0.309 3.342 1.00 0.00 H new ATOM 0 HG22 ILE C 56 0.023 0.049 4.419 1.00 0.00 H new ATOM 0 HG23 ILE C 56 -0.927 -1.438 4.652 1.00 0.00 H new ATOM 0 HD11 ILE C 56 -4.659 -1.771 5.101 1.00 0.00 H new ATOM 0 HD12 ILE C 56 -3.022 -2.132 4.503 1.00 0.00 H new ATOM 0 HD13 ILE C 56 -3.306 -1.927 6.248 1.00 0.00 H new ATOM 733 N ALA C 57 0.661 1.516 7.104 1.00 0.00 N ATOM 734 CA ALA C 57 2.070 1.571 7.404 1.00 0.00 C ATOM 735 C ALA C 57 2.473 1.038 8.766 1.00 0.00 C ATOM 736 O ALA C 57 3.621 0.710 9.006 1.00 0.00 O ATOM 737 CB ALA C 57 2.522 3.003 7.187 1.00 0.00 C ATOM 0 H ALA C 57 0.217 2.428 6.993 1.00 0.00 H new ATOM 0 HA ALA C 57 2.582 0.886 6.728 1.00 0.00 H new ATOM 0 HB1 ALA C 57 3.587 3.085 7.405 1.00 0.00 H new ATOM 0 HB2 ALA C 57 2.340 3.289 6.151 1.00 0.00 H new ATOM 0 HB3 ALA C 57 1.964 3.665 7.849 1.00 0.00 H new ATOM 743 N ALA C 58 1.518 0.895 9.671 1.00 0.00 N ATOM 744 CA ALA C 58 1.681 0.312 10.981 1.00 0.00 C ATOM 745 C ALA C 58 1.378 -1.175 10.958 1.00 0.00 C ATOM 746 O ALA C 58 2.056 -1.992 11.558 1.00 0.00 O ATOM 747 CB ALA C 58 0.833 1.069 11.979 1.00 0.00 C ATOM 0 H ALA C 58 0.561 1.200 9.496 1.00 0.00 H new ATOM 0 HA ALA C 58 2.721 0.402 11.294 1.00 0.00 H new ATOM 0 HB1 ALA C 58 0.956 0.629 12.969 1.00 0.00 H new ATOM 0 HB2 ALA C 58 1.146 2.113 12.005 1.00 0.00 H new ATOM 0 HB3 ALA C 58 -0.215 1.011 11.684 1.00 0.00 H new ATOM 753 N ILE C 59 0.341 -1.582 10.234 1.00 0.00 N ATOM 754 CA ILE C 59 -0.027 -2.927 9.868 1.00 0.00 C ATOM 755 C ILE C 59 1.119 -3.559 9.104 1.00 0.00 C ATOM 756 O ILE C 59 1.385 -4.733 9.303 1.00 0.00 O ATOM 757 CB ILE C 59 -1.339 -2.905 9.107 1.00 0.00 C ATOM 758 CG1 ILE C 59 -2.474 -2.634 10.072 1.00 0.00 C ATOM 759 CG2 ILE C 59 -1.613 -4.164 8.302 1.00 0.00 C ATOM 760 CD1 ILE C 59 -3.711 -2.050 9.411 1.00 0.00 C ATOM 0 H ILE C 59 -0.322 -0.905 9.857 1.00 0.00 H new ATOM 0 HA ILE C 59 -0.198 -3.547 10.748 1.00 0.00 H new ATOM 0 HB ILE C 59 -1.261 -2.104 8.372 1.00 0.00 H new ATOM 0 HG12 ILE C 59 -2.745 -3.564 10.571 1.00 0.00 H new ATOM 0 HG13 ILE C 59 -2.127 -1.947 10.844 1.00 0.00 H new ATOM 0 HG21 ILE C 59 -2.570 -4.067 7.789 1.00 0.00 H new ATOM 0 HG22 ILE C 59 -0.820 -4.306 7.568 1.00 0.00 H new ATOM 0 HG23 ILE C 59 -1.646 -5.024 8.971 1.00 0.00 H new ATOM 0 HD11 ILE C 59 -4.481 -1.883 10.164 1.00 0.00 H new ATOM 0 HD12 ILE C 59 -3.457 -1.103 8.935 1.00 0.00 H new ATOM 0 HD13 ILE C 59 -4.084 -2.745 8.659 1.00 0.00 H new ATOM 772 N ILE C 60 1.875 -2.818 8.302 1.00 0.00 N ATOM 773 CA ILE C 60 3.057 -3.286 7.613 1.00 0.00 C ATOM 774 C ILE C 60 4.142 -3.701 8.589 1.00 0.00 C ATOM 775 O ILE C 60 4.698 -4.786 8.516 1.00 0.00 O ATOM 776 CB ILE C 60 3.554 -2.232 6.635 1.00 0.00 C ATOM 777 CG1 ILE C 60 2.721 -2.429 5.380 1.00 0.00 C ATOM 778 CG2 ILE C 60 5.038 -2.318 6.342 1.00 0.00 C ATOM 779 CD1 ILE C 60 3.088 -1.706 4.099 1.00 0.00 C ATOM 0 H ILE C 60 1.668 -1.838 8.111 1.00 0.00 H new ATOM 0 HA ILE C 60 2.789 -4.175 7.042 1.00 0.00 H new ATOM 0 HB ILE C 60 3.436 -1.236 7.062 1.00 0.00 H new ATOM 0 HG12 ILE C 60 2.717 -3.496 5.159 1.00 0.00 H new ATOM 0 HG13 ILE C 60 1.696 -2.151 5.626 1.00 0.00 H new ATOM 0 HG21 ILE C 60 5.316 -1.534 5.637 1.00 0.00 H new ATOM 0 HG22 ILE C 60 5.600 -2.190 7.267 1.00 0.00 H new ATOM 0 HG23 ILE C 60 5.268 -3.292 5.910 1.00 0.00 H new ATOM 0 HD11 ILE C 60 2.379 -1.972 3.315 1.00 0.00 H new ATOM 0 HD12 ILE C 60 3.056 -0.629 4.267 1.00 0.00 H new ATOM 0 HD13 ILE C 60 4.093 -1.996 3.793 1.00 0.00 H new ATOM 791 N LYS C 61 4.447 -2.818 9.522 1.00 0.00 N ATOM 792 CA LYS C 61 5.410 -2.979 10.588 1.00 0.00 C ATOM 793 C LYS C 61 5.084 -4.156 11.482 1.00 0.00 C ATOM 794 O LYS C 61 5.942 -4.922 11.858 1.00 0.00 O ATOM 795 CB LYS C 61 5.552 -1.693 11.376 1.00 0.00 C ATOM 796 CG LYS C 61 6.716 -1.698 12.337 1.00 0.00 C ATOM 797 CD LYS C 61 7.021 -0.341 12.924 1.00 0.00 C ATOM 798 CE LYS C 61 6.033 0.226 13.822 1.00 0.00 C ATOM 799 NZ LYS C 61 6.021 -0.370 15.066 1.00 0.00 N ATOM 0 H LYS C 61 3.994 -1.905 9.554 1.00 0.00 H new ATOM 0 HA LYS C 61 6.374 -3.202 10.131 1.00 0.00 H new ATOM 0 HB2 LYS C 61 5.669 -0.862 10.681 1.00 0.00 H new ATOM 0 HB3 LYS C 61 4.632 -1.515 11.933 1.00 0.00 H new ATOM 0 HG2 LYS C 61 6.504 -2.396 13.147 1.00 0.00 H new ATOM 0 HG3 LYS C 61 7.601 -2.068 11.820 1.00 0.00 H new ATOM 0 HD2 LYS C 61 7.967 -0.409 13.461 1.00 0.00 H new ATOM 0 HD3 LYS C 61 7.171 0.358 12.101 1.00 0.00 H new ATOM 0 HE2 LYS C 61 6.228 1.292 13.939 1.00 0.00 H new ATOM 0 HE3 LYS C 61 5.045 0.130 13.371 1.00 0.00 H new ATOM 0 HZ1 LYS C 61 5.295 0.080 15.659 1.00 0.00 H new ATOM 0 HZ2 LYS C 61 5.807 -1.383 14.964 1.00 0.00 H new ATOM 0 HZ3 LYS C 61 6.953 -0.257 15.514 1.00 0.00 H new ATOM 813 N ALA C 62 3.803 -4.361 11.749 1.00 0.00 N ATOM 814 CA ALA C 62 3.258 -5.488 12.458 1.00 0.00 C ATOM 815 C ALA C 62 3.296 -6.776 11.662 1.00 0.00 C ATOM 816 O ALA C 62 3.550 -7.841 12.191 1.00 0.00 O ATOM 817 CB ALA C 62 1.868 -5.137 12.927 1.00 0.00 C ATOM 0 H ALA C 62 3.082 -3.702 11.456 1.00 0.00 H new ATOM 0 HA ALA C 62 3.890 -5.690 13.322 1.00 0.00 H new ATOM 0 HB1 ALA C 62 1.442 -5.983 13.467 1.00 0.00 H new ATOM 0 HB2 ALA C 62 1.915 -4.271 13.588 1.00 0.00 H new ATOM 0 HB3 ALA C 62 1.242 -4.903 12.066 1.00 0.00 H new ATOM 823 N GLY C 63 3.067 -6.696 10.360 1.00 0.00 N ATOM 824 CA GLY C 63 2.959 -7.763 9.402 1.00 0.00 C ATOM 825 C GLY C 63 4.241 -8.520 9.141 1.00 0.00 C ATOM 826 O GLY C 63 4.198 -9.655 8.738 1.00 0.00 O ATOM 0 H GLY C 63 2.941 -5.788 9.914 1.00 0.00 H new ATOM 0 HA2 GLY C 63 2.203 -8.467 9.749 1.00 0.00 H new ATOM 0 HA3 GLY C 63 2.601 -7.350 8.459 1.00 0.00 H new ATOM 830 N GLY C 64 5.385 -7.899 9.364 1.00 0.00 N ATOM 831 CA GLY C 64 6.688 -8.440 9.109 1.00 0.00 C ATOM 832 C GLY C 64 7.178 -8.385 7.678 1.00 0.00 C ATOM 833 O GLY C 64 8.055 -9.134 7.297 1.00 0.00 O ATOM 0 H GLY C 64 5.421 -6.955 9.748 1.00 0.00 H new ATOM 0 HA2 GLY C 64 7.405 -7.909 9.735 1.00 0.00 H new ATOM 0 HA3 GLY C 64 6.693 -9.481 9.431 1.00 0.00 H new ATOM 837 N TYR C 65 6.573 -7.537 6.849 1.00 0.00 N ATOM 838 CA TYR C 65 6.893 -7.274 5.470 1.00 0.00 C ATOM 839 C TYR C 65 8.338 -6.938 5.178 1.00 0.00 C ATOM 840 O TYR C 65 8.792 -7.177 4.116 1.00 0.00 O ATOM 841 CB TYR C 65 5.987 -6.122 5.080 1.00 0.00 C ATOM 842 CG TYR C 65 4.661 -6.459 4.462 1.00 0.00 C ATOM 843 CD1 TYR C 65 4.514 -7.105 3.248 1.00 0.00 C ATOM 844 CD2 TYR C 65 3.528 -5.981 5.122 1.00 0.00 C ATOM 845 CE1 TYR C 65 3.270 -7.211 2.628 1.00 0.00 C ATOM 846 CE2 TYR C 65 2.286 -6.003 4.497 1.00 0.00 C ATOM 847 CZ TYR C 65 2.168 -6.612 3.241 1.00 0.00 C ATOM 848 OH TYR C 65 0.931 -6.700 2.689 1.00 0.00 O ATOM 0 H TYR C 65 5.782 -6.975 7.163 1.00 0.00 H new ATOM 0 HA TYR C 65 6.738 -8.185 4.892 1.00 0.00 H new ATOM 0 HB2 TYR C 65 5.800 -5.525 5.972 1.00 0.00 H new ATOM 0 HB3 TYR C 65 6.532 -5.488 4.381 1.00 0.00 H new ATOM 0 HD1 TYR C 65 5.381 -7.536 2.770 1.00 0.00 H new ATOM 0 HD2 TYR C 65 3.616 -5.591 6.125 1.00 0.00 H new ATOM 0 HE1 TYR C 65 3.161 -7.744 1.695 1.00 0.00 H new ATOM 0 HE2 TYR C 65 1.425 -5.557 4.973 1.00 0.00 H new ATOM 0 HH TYR C 65 0.325 -7.148 3.315 1.00 0.00 H new ATOM 868 N ALA D 68 4.389 -13.017 4.610 1.00 0.00 N ATOM 869 CA ALA D 68 3.523 -13.630 3.658 1.00 0.00 C ATOM 870 C ALA D 68 2.050 -13.559 3.964 1.00 0.00 C ATOM 871 O ALA D 68 1.229 -13.500 3.079 1.00 0.00 O ATOM 872 CB ALA D 68 3.937 -15.045 3.562 1.00 0.00 C ATOM 0 HA ALA D 68 3.627 -13.074 2.726 1.00 0.00 H new ATOM 0 HB1 ALA D 68 3.302 -15.562 2.842 1.00 0.00 H new ATOM 0 HB2 ALA D 68 4.975 -15.099 3.234 1.00 0.00 H new ATOM 0 HB3 ALA D 68 3.840 -15.520 4.538 1.00 0.00 H new ATOM 878 N LYS D 69 1.695 -13.532 5.234 1.00 0.00 N ATOM 879 CA LYS D 69 0.347 -13.389 5.728 1.00 0.00 C ATOM 880 C LYS D 69 -0.166 -11.968 5.700 1.00 0.00 C ATOM 881 O LYS D 69 -1.252 -11.703 5.212 1.00 0.00 O ATOM 882 CB LYS D 69 0.274 -13.862 7.161 1.00 0.00 C ATOM 883 CG LYS D 69 0.420 -15.343 7.315 1.00 0.00 C ATOM 884 CD LYS D 69 0.233 -15.822 8.694 1.00 0.00 C ATOM 885 CE LYS D 69 0.338 -17.274 8.795 1.00 0.00 C ATOM 886 NZ LYS D 69 0.190 -17.799 10.086 1.00 0.00 N ATOM 0 H LYS D 69 2.379 -13.614 5.986 1.00 0.00 H new ATOM 0 HA LYS D 69 -0.273 -13.988 5.061 1.00 0.00 H new ATOM 0 HB2 LYS D 69 1.055 -13.367 7.738 1.00 0.00 H new ATOM 0 HB3 LYS D 69 -0.681 -13.554 7.588 1.00 0.00 H new ATOM 0 HG2 LYS D 69 -0.304 -15.838 6.668 1.00 0.00 H new ATOM 0 HG3 LYS D 69 1.411 -15.638 6.970 1.00 0.00 H new ATOM 0 HD2 LYS D 69 0.979 -15.360 9.341 1.00 0.00 H new ATOM 0 HD3 LYS D 69 -0.744 -15.504 9.057 1.00 0.00 H new ATOM 0 HE2 LYS D 69 -0.418 -17.722 8.150 1.00 0.00 H new ATOM 0 HE3 LYS D 69 1.310 -17.579 8.406 1.00 0.00 H new ATOM 0 HZ1 LYS D 69 0.281 -18.834 10.052 1.00 0.00 H new ATOM 0 HZ2 LYS D 69 0.927 -17.407 10.707 1.00 0.00 H new ATOM 0 HZ3 LYS D 69 -0.747 -17.546 10.458 1.00 0.00 H new ATOM 900 N ALA D 70 0.710 -11.048 6.094 1.00 0.00 N ATOM 901 CA ALA D 70 0.647 -9.629 5.857 1.00 0.00 C ATOM 902 C ALA D 70 0.266 -9.327 4.421 1.00 0.00 C ATOM 903 O ALA D 70 -0.514 -8.433 4.124 1.00 0.00 O ATOM 904 CB ALA D 70 2.031 -9.080 6.141 1.00 0.00 C ATOM 0 H ALA D 70 1.541 -11.306 6.627 1.00 0.00 H new ATOM 0 HA ALA D 70 -0.110 -9.174 6.496 1.00 0.00 H new ATOM 0 HB1 ALA D 70 2.036 -8.003 5.975 1.00 0.00 H new ATOM 0 HB2 ALA D 70 2.300 -9.289 7.176 1.00 0.00 H new ATOM 0 HB3 ALA D 70 2.754 -9.553 5.476 1.00 0.00 H new ATOM 910 N ALA D 71 0.772 -10.145 3.506 1.00 0.00 N ATOM 911 CA ALA D 71 0.644 -10.010 2.072 1.00 0.00 C ATOM 912 C ALA D 71 -0.673 -10.529 1.525 1.00 0.00 C ATOM 913 O ALA D 71 -0.910 -10.457 0.333 1.00 0.00 O ATOM 914 CB ALA D 71 1.836 -10.610 1.356 1.00 0.00 C ATOM 0 H ALA D 71 1.314 -10.968 3.768 1.00 0.00 H new ATOM 0 HA ALA D 71 0.634 -8.939 1.868 1.00 0.00 H new ATOM 0 HB1 ALA D 71 1.711 -10.493 0.280 1.00 0.00 H new ATOM 0 HB2 ALA D 71 2.746 -10.100 1.673 1.00 0.00 H new ATOM 0 HB3 ALA D 71 1.911 -11.670 1.600 1.00 0.00 H new ATOM 920 N ALA D 72 -1.621 -10.945 2.352 1.00 0.00 N ATOM 921 CA ALA D 72 -3.038 -10.830 2.116 1.00 0.00 C ATOM 922 C ALA D 72 -3.698 -9.815 3.019 1.00 0.00 C ATOM 923 O ALA D 72 -4.311 -8.871 2.545 1.00 0.00 O ATOM 924 CB ALA D 72 -3.693 -12.192 2.218 1.00 0.00 C ATOM 0 H ALA D 72 -1.405 -11.391 3.244 1.00 0.00 H new ATOM 0 HA ALA D 72 -3.177 -10.455 1.102 1.00 0.00 H new ATOM 0 HB1 ALA D 72 -4.764 -12.095 2.038 1.00 0.00 H new ATOM 0 HB2 ALA D 72 -3.259 -12.861 1.475 1.00 0.00 H new ATOM 0 HB3 ALA D 72 -3.528 -12.601 3.215 1.00 0.00 H new ATOM 930 N ALA D 73 -3.521 -9.897 4.332 1.00 0.00 N ATOM 931 CA ALA D 73 -4.189 -9.142 5.363 1.00 0.00 C ATOM 932 C ALA D 73 -4.151 -7.644 5.185 1.00 0.00 C ATOM 933 O ALA D 73 -5.117 -7.004 5.487 1.00 0.00 O ATOM 934 CB ALA D 73 -3.579 -9.580 6.677 1.00 0.00 C ATOM 0 H ALA D 73 -2.847 -10.552 4.727 1.00 0.00 H new ATOM 0 HA ALA D 73 -5.257 -9.357 5.321 1.00 0.00 H new ATOM 0 HB1 ALA D 73 -4.051 -9.037 7.496 1.00 0.00 H new ATOM 0 HB2 ALA D 73 -3.737 -10.650 6.813 1.00 0.00 H new ATOM 0 HB3 ALA D 73 -2.510 -9.369 6.670 1.00 0.00 H new ATOM 940 N ALA D 74 -3.076 -7.073 4.687 1.00 0.00 N ATOM 941 CA ALA D 74 -3.001 -5.645 4.492 1.00 0.00 C ATOM 942 C ALA D 74 -3.530 -5.240 3.139 1.00 0.00 C ATOM 943 O ALA D 74 -4.313 -4.329 2.982 1.00 0.00 O ATOM 944 CB ALA D 74 -1.581 -5.148 4.651 1.00 0.00 C ATOM 0 H ALA D 74 -2.237 -7.582 4.409 1.00 0.00 H new ATOM 0 HA ALA D 74 -3.626 -5.187 5.258 1.00 0.00 H new ATOM 0 HB1 ALA D 74 -1.554 -4.069 4.499 1.00 0.00 H new ATOM 0 HB2 ALA D 74 -1.224 -5.382 5.654 1.00 0.00 H new ATOM 0 HB3 ALA D 74 -0.941 -5.634 3.915 1.00 0.00 H new ATOM 950 N ILE D 75 -3.112 -5.986 2.122 1.00 0.00 N ATOM 951 CA ILE D 75 -3.538 -5.831 0.755 1.00 0.00 C ATOM 952 C ILE D 75 -5.042 -5.899 0.569 1.00 0.00 C ATOM 953 O ILE D 75 -5.645 -5.094 -0.129 1.00 0.00 O ATOM 954 CB ILE D 75 -2.917 -6.887 -0.143 1.00 0.00 C ATOM 955 CG1 ILE D 75 -1.405 -7.018 -0.055 1.00 0.00 C ATOM 956 CG2 ILE D 75 -3.350 -6.692 -1.579 1.00 0.00 C ATOM 957 CD1 ILE D 75 -0.636 -5.739 -0.309 1.00 0.00 C ATOM 0 H ILE D 75 -2.440 -6.743 2.243 1.00 0.00 H new ATOM 0 HA ILE D 75 -3.200 -4.832 0.478 1.00 0.00 H new ATOM 0 HB ILE D 75 -3.301 -7.832 0.242 1.00 0.00 H new ATOM 0 HG12 ILE D 75 -1.145 -7.390 0.936 1.00 0.00 H new ATOM 0 HG13 ILE D 75 -1.078 -7.770 -0.774 1.00 0.00 H new ATOM 0 HG21 ILE D 75 -2.893 -7.459 -2.204 1.00 0.00 H new ATOM 0 HG22 ILE D 75 -4.435 -6.768 -1.645 1.00 0.00 H new ATOM 0 HG23 ILE D 75 -3.034 -5.708 -1.924 1.00 0.00 H new ATOM 0 HD11 ILE D 75 0.433 -5.934 -0.224 1.00 0.00 H new ATOM 0 HD12 ILE D 75 -0.859 -5.373 -1.311 1.00 0.00 H new ATOM 0 HD13 ILE D 75 -0.927 -4.988 0.425 1.00 0.00 H new ATOM 969 N LYS D 76 -5.667 -6.880 1.214 1.00 0.00 N ATOM 970 CA LYS D 76 -7.078 -7.172 1.132 1.00 0.00 C ATOM 971 C LYS D 76 -7.967 -6.056 1.644 1.00 0.00 C ATOM 972 O LYS D 76 -9.001 -5.791 1.048 1.00 0.00 O ATOM 973 CB LYS D 76 -7.325 -8.460 1.899 1.00 0.00 C ATOM 974 CG LYS D 76 -7.078 -9.753 1.167 1.00 0.00 C ATOM 975 CD LYS D 76 -8.145 -10.076 0.166 1.00 0.00 C ATOM 976 CE LYS D 76 -7.897 -11.437 -0.387 1.00 0.00 C ATOM 977 NZ LYS D 76 -8.857 -11.806 -1.364 1.00 0.00 N ATOM 0 H LYS D 76 -5.171 -7.519 1.836 1.00 0.00 H new ATOM 0 HA LYS D 76 -7.345 -7.278 0.081 1.00 0.00 H new ATOM 0 HB2 LYS D 76 -6.696 -8.450 2.789 1.00 0.00 H new ATOM 0 HB3 LYS D 76 -8.360 -8.457 2.240 1.00 0.00 H new ATOM 0 HG2 LYS D 76 -6.116 -9.697 0.658 1.00 0.00 H new ATOM 0 HG3 LYS D 76 -7.009 -10.565 1.890 1.00 0.00 H new ATOM 0 HD2 LYS D 76 -9.127 -10.034 0.637 1.00 0.00 H new ATOM 0 HD3 LYS D 76 -8.144 -9.338 -0.636 1.00 0.00 H new ATOM 0 HE2 LYS D 76 -6.901 -11.471 -0.829 1.00 0.00 H new ATOM 0 HE3 LYS D 76 -7.910 -12.164 0.425 1.00 0.00 H new ATOM 0 HZ1 LYS D 76 -8.642 -12.760 -1.719 1.00 0.00 H new ATOM 0 HZ2 LYS D 76 -9.806 -11.800 -0.938 1.00 0.00 H new ATOM 0 HZ3 LYS D 76 -8.828 -11.129 -2.153 1.00 0.00 H new ATOM 991 N ALA D 77 -7.536 -5.389 2.709 1.00 0.00 N ATOM 992 CA ALA D 77 -8.071 -4.107 3.101 1.00 0.00 C ATOM 993 C ALA D 77 -7.800 -3.076 2.022 1.00 0.00 C ATOM 994 O ALA D 77 -8.723 -2.469 1.508 1.00 0.00 O ATOM 995 CB ALA D 77 -7.491 -3.707 4.441 1.00 0.00 C ATOM 0 H ALA D 77 -6.799 -5.733 3.324 1.00 0.00 H new ATOM 0 HA ALA D 77 -9.153 -4.172 3.215 1.00 0.00 H new ATOM 0 HB1 ALA D 77 -7.895 -2.739 4.738 1.00 0.00 H new ATOM 0 HB2 ALA D 77 -7.754 -4.455 5.189 1.00 0.00 H new ATOM 0 HB3 ALA D 77 -6.406 -3.639 4.362 1.00 0.00 H new ATOM 1001 N ILE D 78 -6.555 -2.866 1.603 1.00 0.00 N ATOM 1002 CA ILE D 78 -6.144 -1.746 0.783 1.00 0.00 C ATOM 1003 C ILE D 78 -6.745 -1.788 -0.612 1.00 0.00 C ATOM 1004 O ILE D 78 -7.284 -0.769 -1.026 1.00 0.00 O ATOM 1005 CB ILE D 78 -4.636 -1.542 0.839 1.00 0.00 C ATOM 1006 CG1 ILE D 78 -4.272 -0.167 1.347 1.00 0.00 C ATOM 1007 CG2 ILE D 78 -3.871 -1.904 -0.417 1.00 0.00 C ATOM 1008 CD1 ILE D 78 -4.574 0.998 0.452 1.00 0.00 C ATOM 0 H ILE D 78 -5.786 -3.494 1.836 1.00 0.00 H new ATOM 0 HA ILE D 78 -6.567 -0.838 1.212 1.00 0.00 H new ATOM 0 HB ILE D 78 -4.300 -2.281 1.567 1.00 0.00 H new ATOM 0 HG12 ILE D 78 -4.790 -0.009 2.293 1.00 0.00 H new ATOM 0 HG13 ILE D 78 -3.204 -0.159 1.563 1.00 0.00 H new ATOM 0 HG21 ILE D 78 -2.808 -1.718 -0.262 1.00 0.00 H new ATOM 0 HG22 ILE D 78 -4.026 -2.958 -0.646 1.00 0.00 H new ATOM 0 HG23 ILE D 78 -4.228 -1.296 -1.248 1.00 0.00 H new ATOM 0 HD11 ILE D 78 -4.262 1.922 0.939 1.00 0.00 H new ATOM 0 HD12 ILE D 78 -4.035 0.884 -0.488 1.00 0.00 H new ATOM 0 HD13 ILE D 78 -5.645 1.036 0.253 1.00 0.00 H new ATOM 1020 N ALA D 79 -6.797 -2.929 -1.294 1.00 0.00 N ATOM 1021 CA ALA D 79 -7.396 -2.969 -2.607 1.00 0.00 C ATOM 1022 C ALA D 79 -8.898 -2.754 -2.645 1.00 0.00 C ATOM 1023 O ALA D 79 -9.436 -2.425 -3.686 1.00 0.00 O ATOM 1024 CB ALA D 79 -7.034 -4.302 -3.243 1.00 0.00 C ATOM 0 H ALA D 79 -6.435 -3.821 -0.958 1.00 0.00 H new ATOM 0 HA ALA D 79 -6.993 -2.123 -3.164 1.00 0.00 H new ATOM 0 HB1 ALA D 79 -7.474 -4.361 -4.239 1.00 0.00 H new ATOM 0 HB2 ALA D 79 -5.950 -4.386 -3.320 1.00 0.00 H new ATOM 0 HB3 ALA D 79 -7.418 -5.115 -2.627 1.00 0.00 H new ATOM 1030 N ALA D 80 -9.573 -2.835 -1.501 1.00 0.00 N ATOM 1031 CA ALA D 80 -10.965 -2.499 -1.322 1.00 0.00 C ATOM 1032 C ALA D 80 -11.154 -1.063 -0.883 1.00 0.00 C ATOM 1033 O ALA D 80 -12.047 -0.381 -1.352 1.00 0.00 O ATOM 1034 CB ALA D 80 -11.553 -3.462 -0.318 1.00 0.00 C ATOM 0 H ALA D 80 -9.134 -3.153 -0.637 1.00 0.00 H new ATOM 0 HA ALA D 80 -11.483 -2.589 -2.277 1.00 0.00 H new ATOM 0 HB1 ALA D 80 -12.607 -3.229 -0.164 1.00 0.00 H new ATOM 0 HB2 ALA D 80 -11.457 -4.481 -0.692 1.00 0.00 H new ATOM 0 HB3 ALA D 80 -11.020 -3.372 0.628 1.00 0.00 H new ATOM 1040 N ILE D 81 -10.270 -0.584 -0.016 1.00 0.00 N ATOM 1041 CA ILE D 81 -10.187 0.778 0.461 1.00 0.00 C ATOM 1042 C ILE D 81 -9.756 1.694 -0.670 1.00 0.00 C ATOM 1043 O ILE D 81 -10.235 2.817 -0.735 1.00 0.00 O ATOM 1044 CB ILE D 81 -9.275 0.854 1.678 1.00 0.00 C ATOM 1045 CG1 ILE D 81 -9.867 0.193 2.913 1.00 0.00 C ATOM 1046 CG2 ILE D 81 -8.926 2.300 1.971 1.00 0.00 C ATOM 1047 CD1 ILE D 81 -8.846 -0.130 3.993 1.00 0.00 C ATOM 0 H ILE D 81 -9.550 -1.179 0.394 1.00 0.00 H new ATOM 0 HA ILE D 81 -11.168 1.121 0.789 1.00 0.00 H new ATOM 0 HB ILE D 81 -8.372 0.295 1.432 1.00 0.00 H new ATOM 0 HG12 ILE D 81 -10.629 0.849 3.333 1.00 0.00 H new ATOM 0 HG13 ILE D 81 -10.368 -0.728 2.614 1.00 0.00 H new ATOM 0 HG21 ILE D 81 -8.273 2.347 2.843 1.00 0.00 H new ATOM 0 HG22 ILE D 81 -8.415 2.732 1.111 1.00 0.00 H new ATOM 0 HG23 ILE D 81 -9.839 2.861 2.170 1.00 0.00 H new ATOM 0 HD11 ILE D 81 -9.348 -0.599 4.839 1.00 0.00 H new ATOM 0 HD12 ILE D 81 -8.096 -0.812 3.592 1.00 0.00 H new ATOM 0 HD13 ILE D 81 -8.361 0.789 4.322 1.00 0.00 H new ATOM 1059 N ILE D 82 -8.933 1.254 -1.621 1.00 0.00 N ATOM 1060 CA ILE D 82 -8.590 1.993 -2.812 1.00 0.00 C ATOM 1061 C ILE D 82 -9.812 2.356 -3.621 1.00 0.00 C ATOM 1062 O ILE D 82 -10.001 3.489 -4.009 1.00 0.00 O ATOM 1063 CB ILE D 82 -7.571 1.237 -3.654 1.00 0.00 C ATOM 1064 CG1 ILE D 82 -6.223 1.378 -2.981 1.00 0.00 C ATOM 1065 CG2 ILE D 82 -7.478 1.746 -5.081 1.00 0.00 C ATOM 1066 CD1 ILE D 82 -5.067 0.643 -3.609 1.00 0.00 C ATOM 0 H ILE D 82 -8.478 0.343 -1.572 1.00 0.00 H new ATOM 0 HA ILE D 82 -8.130 2.928 -2.491 1.00 0.00 H new ATOM 0 HB ILE D 82 -7.889 0.197 -3.719 1.00 0.00 H new ATOM 0 HG12 ILE D 82 -5.971 2.438 -2.944 1.00 0.00 H new ATOM 0 HG13 ILE D 82 -6.321 1.038 -1.950 1.00 0.00 H new ATOM 0 HG21 ILE D 82 -6.735 1.165 -5.627 1.00 0.00 H new ATOM 0 HG22 ILE D 82 -8.448 1.643 -5.568 1.00 0.00 H new ATOM 0 HG23 ILE D 82 -7.185 2.796 -5.074 1.00 0.00 H new ATOM 0 HD11 ILE D 82 -4.161 0.827 -3.031 1.00 0.00 H new ATOM 0 HD12 ILE D 82 -5.279 -0.426 -3.621 1.00 0.00 H new ATOM 0 HD13 ILE D 82 -4.923 0.996 -4.630 1.00 0.00 H new ATOM 1078 N LYS D 83 -10.644 1.362 -3.878 1.00 0.00 N ATOM 1079 CA LYS D 83 -11.862 1.421 -4.643 1.00 0.00 C ATOM 1080 C LYS D 83 -12.961 2.237 -4.009 1.00 0.00 C ATOM 1081 O LYS D 83 -13.678 2.915 -4.711 1.00 0.00 O ATOM 1082 CB LYS D 83 -12.322 -0.006 -4.876 1.00 0.00 C ATOM 1083 CG LYS D 83 -11.522 -0.745 -5.909 1.00 0.00 C ATOM 1084 CD LYS D 83 -11.998 -2.129 -6.085 1.00 0.00 C ATOM 1085 CE LYS D 83 -11.141 -3.028 -6.910 1.00 0.00 C ATOM 1086 NZ LYS D 83 -10.065 -3.456 -6.263 1.00 0.00 N ATOM 0 H LYS D 83 -10.464 0.422 -3.526 1.00 0.00 H new ATOM 0 HA LYS D 83 -11.645 1.937 -5.578 1.00 0.00 H new ATOM 0 HB2 LYS D 83 -12.271 -0.551 -3.934 1.00 0.00 H new ATOM 0 HB3 LYS D 83 -13.368 0.006 -5.182 1.00 0.00 H new ATOM 0 HG2 LYS D 83 -11.581 -0.217 -6.861 1.00 0.00 H new ATOM 0 HG3 LYS D 83 -10.472 -0.756 -5.616 1.00 0.00 H new ATOM 0 HD2 LYS D 83 -12.113 -2.578 -5.099 1.00 0.00 H new ATOM 0 HD3 LYS D 83 -12.989 -2.094 -6.537 1.00 0.00 H new ATOM 0 HE2 LYS D 83 -11.730 -3.887 -7.232 1.00 0.00 H new ATOM 0 HE3 LYS D 83 -10.830 -2.499 -7.811 1.00 0.00 H new ATOM 0 HZ1 LYS D 83 -9.215 -3.238 -6.821 1.00 0.00 H new ATOM 0 HZ2 LYS D 83 -10.004 -2.982 -5.339 1.00 0.00 H new ATOM 0 HZ3 LYS D 83 -10.132 -4.484 -6.121 1.00 0.00 H new ATOM 1100 N ALA D 84 -13.065 2.229 -2.691 1.00 0.00 N ATOM 1101 CA ALA D 84 -13.956 3.047 -1.908 1.00 0.00 C ATOM 1102 C ALA D 84 -13.463 4.461 -1.703 1.00 0.00 C ATOM 1103 O ALA D 84 -14.192 5.398 -1.837 1.00 0.00 O ATOM 1104 CB ALA D 84 -14.244 2.334 -0.604 1.00 0.00 C ATOM 0 H ALA D 84 -12.494 1.614 -2.112 1.00 0.00 H new ATOM 0 HA ALA D 84 -14.884 3.174 -2.466 1.00 0.00 H new ATOM 0 HB1 ALA D 84 -14.918 2.940 0.001 1.00 0.00 H new ATOM 0 HB2 ALA D 84 -14.710 1.371 -0.811 1.00 0.00 H new ATOM 0 HB3 ALA D 84 -13.312 2.177 -0.062 1.00 0.00 H new ATOM 1110 N GLY D 85 -12.179 4.641 -1.439 1.00 0.00 N ATOM 1111 CA GLY D 85 -11.487 5.893 -1.309 1.00 0.00 C ATOM 1112 C GLY D 85 -11.419 6.692 -2.589 1.00 0.00 C ATOM 1113 O GLY D 85 -11.467 7.900 -2.530 1.00 0.00 O ATOM 0 H GLY D 85 -11.554 3.847 -1.301 1.00 0.00 H new ATOM 0 HA2 GLY D 85 -11.981 6.492 -0.544 1.00 0.00 H new ATOM 0 HA3 GLY D 85 -10.473 5.701 -0.958 1.00 0.00 H new ATOM 1117 N GLY D 86 -11.316 6.031 -3.734 1.00 0.00 N ATOM 1118 CA GLY D 86 -11.303 6.588 -5.058 1.00 0.00 C ATOM 1119 C GLY D 86 -10.000 7.261 -5.402 1.00 0.00 C ATOM 1120 O GLY D 86 -10.040 8.291 -6.023 1.00 0.00 O ATOM 0 H GLY D 86 -11.234 5.014 -3.750 1.00 0.00 H new ATOM 0 HA2 GLY D 86 -11.498 5.796 -5.781 1.00 0.00 H new ATOM 0 HA3 GLY D 86 -12.114 7.311 -5.150 1.00 0.00 H new ATOM 1124 N TYR D 87 -8.865 6.697 -5.009 1.00 0.00 N ATOM 1125 CA TYR D 87 -7.525 7.203 -5.136 1.00 0.00 C ATOM 1126 C TYR D 87 -7.153 7.737 -6.494 1.00 0.00 C ATOM 1127 O TYR D 87 -6.410 8.662 -6.616 1.00 0.00 O ATOM 1128 CB TYR D 87 -6.554 6.123 -4.698 1.00 0.00 C ATOM 1129 CG TYR D 87 -6.101 6.111 -3.266 1.00 0.00 C ATOM 1130 CD1 TYR D 87 -5.304 7.083 -2.689 1.00 0.00 C ATOM 1131 CD2 TYR D 87 -6.356 4.966 -2.555 1.00 0.00 C ATOM 1132 CE1 TYR D 87 -4.798 6.891 -1.403 1.00 0.00 C ATOM 1133 CE2 TYR D 87 -5.893 4.766 -1.254 1.00 0.00 C ATOM 1134 CZ TYR D 87 -5.100 5.744 -0.669 1.00 0.00 C ATOM 1135 OH TYR D 87 -4.684 5.582 0.613 1.00 0.00 O ATOM 0 H TYR D 87 -8.873 5.786 -4.550 1.00 0.00 H new ATOM 0 HA TYR D 87 -7.470 8.078 -4.489 1.00 0.00 H new ATOM 0 HB2 TYR D 87 -7.013 5.157 -4.910 1.00 0.00 H new ATOM 0 HB3 TYR D 87 -5.667 6.199 -5.327 1.00 0.00 H new ATOM 0 HD1 TYR D 87 -5.074 7.988 -3.232 1.00 0.00 H new ATOM 0 HD2 TYR D 87 -6.940 4.186 -3.022 1.00 0.00 H new ATOM 0 HE1 TYR D 87 -4.160 7.645 -0.967 1.00 0.00 H new ATOM 0 HE2 TYR D 87 -6.147 3.867 -0.712 1.00 0.00 H new ATOM 0 HH TYR D 87 -5.304 6.040 1.218 1.00 0.00 H new