USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=7 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00557) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 TYR OH : rot 72:sc= 1.03 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 86:sc= 0.0686 USER MOD Single : C 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 54 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00359) USER MOD Single : C 61 LYS NZ :NH3+ -122:sc= 0.61 (180deg=-0.0251) USER MOD Single : C 65 TYR OH : rot 98:sc= 0.529 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+ 180:sc= 0 (180deg=0) USER MOD Single : D 87 TYR OH : rot 74:sc= 1.02 USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 1 1.175 13.812 1.621 1.00 0.00 C HETATM 2 O ACE A 1 1.726 12.942 0.995 1.00 0.00 O HETATM 3 CH3 ACE A 1 1.968 14.642 2.587 1.00 0.00 C HETATM 0 H1 ACE A 1 1.918 15.690 2.292 1.00 0.00 H new HETATM 0 H2 ACE A 1 1.556 14.527 3.589 1.00 0.00 H new HETATM 0 H3 ACE A 1 3.007 14.313 2.582 1.00 0.00 H new ATOM 7 N ALA A 2 -0.120 14.031 1.536 1.00 0.00 N ATOM 8 CA ALA A 2 -1.010 13.195 0.774 1.00 0.00 C ATOM 9 C ALA A 2 -0.730 13.183 -0.707 1.00 0.00 C ATOM 10 O ALA A 2 -1.134 12.255 -1.374 1.00 0.00 O ATOM 11 CB ALA A 2 -2.446 13.604 1.033 1.00 0.00 C ATOM 0 H ALA A 2 -0.587 14.808 2.003 1.00 0.00 H new ATOM 0 HA ALA A 2 -0.836 12.175 1.116 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -3.116 12.968 0.454 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -2.670 13.495 2.094 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -2.587 14.644 0.738 1.00 0.00 H new ATOM 17 N LYS A 3 0.019 14.130 -1.251 1.00 0.00 N ATOM 18 CA LYS A 3 0.467 14.176 -2.619 1.00 0.00 C ATOM 19 C LYS A 3 1.339 13.001 -3.012 1.00 0.00 C ATOM 20 O LYS A 3 1.451 12.713 -4.194 1.00 0.00 O ATOM 21 CB LYS A 3 1.254 15.438 -2.930 1.00 0.00 C ATOM 22 CG LYS A 3 0.529 16.719 -2.689 1.00 0.00 C ATOM 23 CD LYS A 3 1.301 17.933 -3.073 1.00 0.00 C ATOM 24 CE LYS A 3 1.417 18.124 -4.434 1.00 0.00 C ATOM 25 NZ LYS A 3 2.346 19.093 -4.794 1.00 0.00 N ATOM 0 H LYS A 3 0.345 14.931 -0.710 1.00 0.00 H new ATOM 0 HA LYS A 3 -0.459 14.149 -3.194 1.00 0.00 H new ATOM 0 HB2 LYS A 3 2.163 15.436 -2.329 1.00 0.00 H new ATOM 0 HB3 LYS A 3 1.562 15.406 -3.975 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -0.408 16.705 -3.247 1.00 0.00 H new ATOM 0 HG3 LYS A 3 0.270 16.785 -1.632 1.00 0.00 H new ATOM 0 HD2 LYS A 3 0.821 18.808 -2.635 1.00 0.00 H new ATOM 0 HD3 LYS A 3 2.299 17.866 -2.641 1.00 0.00 H new ATOM 0 HE2 LYS A 3 1.695 17.179 -4.900 1.00 0.00 H new ATOM 0 HE3 LYS A 3 0.443 18.403 -4.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 2.375 19.178 -5.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 2.073 20.007 -4.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 3.286 18.820 -4.442 1.00 0.00 H new ATOM 39 N ALA A 4 1.878 12.259 -2.049 1.00 0.00 N ATOM 40 CA ALA A 4 2.512 10.972 -2.197 1.00 0.00 C ATOM 41 C ALA A 4 1.632 9.919 -2.842 1.00 0.00 C ATOM 42 O ALA A 4 2.098 8.830 -3.151 1.00 0.00 O ATOM 43 CB ALA A 4 3.013 10.535 -0.832 1.00 0.00 C ATOM 0 H ALA A 4 1.878 12.573 -1.078 1.00 0.00 H new ATOM 0 HA ALA A 4 3.344 11.081 -2.892 1.00 0.00 H new ATOM 0 HB1 ALA A 4 3.498 9.562 -0.917 1.00 0.00 H new ATOM 0 HB2 ALA A 4 3.729 11.266 -0.456 1.00 0.00 H new ATOM 0 HB3 ALA A 4 2.172 10.463 -0.142 1.00 0.00 H new ATOM 49 N ALA A 5 0.336 10.169 -2.996 1.00 0.00 N ATOM 50 CA ALA A 5 -0.674 9.204 -3.354 1.00 0.00 C ATOM 51 C ALA A 5 -0.473 8.604 -4.734 1.00 0.00 C ATOM 52 O ALA A 5 0.165 7.574 -4.884 1.00 0.00 O ATOM 53 CB ALA A 5 -2.051 9.779 -3.063 1.00 0.00 C ATOM 0 H ALA A 5 -0.049 11.104 -2.865 1.00 0.00 H new ATOM 0 HA ALA A 5 -0.575 8.323 -2.720 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -2.814 9.050 -3.334 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -2.131 10.011 -2.001 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -2.196 10.689 -3.645 1.00 0.00 H new ATOM 59 N ALA A 6 -0.983 9.221 -5.797 1.00 0.00 N ATOM 60 CA ALA A 6 -1.080 8.616 -7.097 1.00 0.00 C ATOM 61 C ALA A 6 0.241 8.390 -7.804 1.00 0.00 C ATOM 62 O ALA A 6 0.237 7.952 -8.936 1.00 0.00 O ATOM 63 CB ALA A 6 -2.059 9.390 -7.954 1.00 0.00 C ATOM 0 H ALA A 6 -1.344 10.174 -5.765 1.00 0.00 H new ATOM 0 HA ALA A 6 -1.457 7.607 -6.932 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -2.127 8.926 -8.938 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -3.041 9.384 -7.481 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -1.715 10.419 -8.061 1.00 0.00 H new ATOM 69 N ALA A 7 1.386 8.641 -7.185 1.00 0.00 N ATOM 70 CA ALA A 7 2.691 8.185 -7.605 1.00 0.00 C ATOM 71 C ALA A 7 3.047 6.854 -6.975 1.00 0.00 C ATOM 72 O ALA A 7 3.498 5.976 -7.628 1.00 0.00 O ATOM 73 CB ALA A 7 3.716 9.243 -7.251 1.00 0.00 C ATOM 0 H ALA A 7 1.425 9.198 -6.332 1.00 0.00 H new ATOM 0 HA ALA A 7 2.681 8.030 -8.684 1.00 0.00 H new ATOM 0 HB1 ALA A 7 4.706 8.910 -7.563 1.00 0.00 H new ATOM 0 HB2 ALA A 7 3.469 10.174 -7.761 1.00 0.00 H new ATOM 0 HB3 ALA A 7 3.712 9.407 -6.173 1.00 0.00 H new ATOM 79 N ALA A 8 2.823 6.641 -5.710 1.00 0.00 N ATOM 80 CA ALA A 8 3.214 5.447 -4.995 1.00 0.00 C ATOM 81 C ALA A 8 2.093 4.428 -5.013 1.00 0.00 C ATOM 82 O ALA A 8 2.373 3.258 -5.181 1.00 0.00 O ATOM 83 CB ALA A 8 3.569 5.820 -3.571 1.00 0.00 C ATOM 0 H ALA A 8 2.343 7.320 -5.119 1.00 0.00 H new ATOM 0 HA ALA A 8 4.082 5.000 -5.480 1.00 0.00 H new ATOM 0 HB1 ALA A 8 3.865 4.925 -3.024 1.00 0.00 H new ATOM 0 HB2 ALA A 8 4.394 6.532 -3.576 1.00 0.00 H new ATOM 0 HB3 ALA A 8 2.703 6.272 -3.087 1.00 0.00 H new ATOM 89 N ILE A 9 0.836 4.846 -4.905 1.00 0.00 N ATOM 90 CA ILE A 9 -0.331 4.006 -5.057 1.00 0.00 C ATOM 91 C ILE A 9 -0.358 3.359 -6.430 1.00 0.00 C ATOM 92 O ILE A 9 -0.650 2.174 -6.522 1.00 0.00 O ATOM 93 CB ILE A 9 -1.632 4.759 -4.811 1.00 0.00 C ATOM 94 CG1 ILE A 9 -1.742 5.382 -3.428 1.00 0.00 C ATOM 95 CG2 ILE A 9 -2.804 3.827 -5.056 1.00 0.00 C ATOM 96 CD1 ILE A 9 -1.631 4.439 -2.246 1.00 0.00 C ATOM 0 H ILE A 9 0.601 5.817 -4.701 1.00 0.00 H new ATOM 0 HA ILE A 9 -0.254 3.230 -4.295 1.00 0.00 H new ATOM 0 HB ILE A 9 -1.643 5.594 -5.512 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -0.964 6.140 -3.333 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -2.700 5.898 -3.363 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -3.737 4.362 -4.881 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -2.777 3.472 -6.086 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -2.741 2.977 -4.377 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -1.725 5.005 -1.319 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -2.425 3.694 -2.299 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -0.663 3.939 -2.269 1.00 0.00 H new ATOM 108 N LYS A 10 0.020 4.062 -7.495 1.00 0.00 N ATOM 109 CA LYS A 10 0.192 3.510 -8.814 1.00 0.00 C ATOM 110 C LYS A 10 1.126 2.317 -8.842 1.00 0.00 C ATOM 111 O LYS A 10 0.750 1.248 -9.292 1.00 0.00 O ATOM 112 CB LYS A 10 0.601 4.646 -9.730 1.00 0.00 C ATOM 113 CG LYS A 10 -0.563 5.303 -10.443 1.00 0.00 C ATOM 114 CD LYS A 10 -1.054 4.504 -11.627 1.00 0.00 C ATOM 115 CE LYS A 10 -2.222 5.118 -12.344 1.00 0.00 C ATOM 116 NZ LYS A 10 -1.905 6.343 -13.009 1.00 0.00 N ATOM 0 H LYS A 10 0.218 5.062 -7.450 1.00 0.00 H new ATOM 0 HA LYS A 10 -0.746 3.087 -9.173 1.00 0.00 H new ATOM 0 HB2 LYS A 10 1.130 5.399 -9.146 1.00 0.00 H new ATOM 0 HB3 LYS A 10 1.303 4.267 -10.473 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -1.383 5.440 -9.738 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -0.263 6.295 -10.780 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -0.233 4.381 -12.333 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -1.334 3.507 -11.287 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -2.604 4.406 -13.075 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -3.023 5.300 -11.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -2.746 6.694 -13.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -1.600 7.049 -12.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -1.138 6.179 -13.692 1.00 0.00 H new ATOM 130 N ALA A 11 2.309 2.475 -8.257 1.00 0.00 N ATOM 131 CA ALA A 11 3.304 1.458 -8.009 1.00 0.00 C ATOM 132 C ALA A 11 2.936 0.406 -6.979 1.00 0.00 C ATOM 133 O ALA A 11 3.749 -0.464 -6.697 1.00 0.00 O ATOM 134 CB ALA A 11 4.603 2.187 -7.698 1.00 0.00 C ATOM 0 H ALA A 11 2.612 3.389 -7.922 1.00 0.00 H new ATOM 0 HA ALA A 11 3.402 0.842 -8.903 1.00 0.00 H new ATOM 0 HB1 ALA A 11 5.391 1.459 -7.502 1.00 0.00 H new ATOM 0 HB2 ALA A 11 4.885 2.807 -8.549 1.00 0.00 H new ATOM 0 HB3 ALA A 11 4.465 2.818 -6.820 1.00 0.00 H new ATOM 140 N ILE A 12 1.701 0.411 -6.482 1.00 0.00 N ATOM 141 CA ILE A 12 0.990 -0.697 -5.885 1.00 0.00 C ATOM 142 C ILE A 12 -0.138 -1.164 -6.790 1.00 0.00 C ATOM 143 O ILE A 12 -0.062 -2.313 -7.210 1.00 0.00 O ATOM 144 CB ILE A 12 0.444 -0.474 -4.484 1.00 0.00 C ATOM 145 CG1 ILE A 12 1.351 0.355 -3.605 1.00 0.00 C ATOM 146 CG2 ILE A 12 0.150 -1.765 -3.793 1.00 0.00 C ATOM 147 CD1 ILE A 12 0.727 0.836 -2.330 1.00 0.00 C ATOM 0 H ILE A 12 1.135 1.260 -6.491 1.00 0.00 H new ATOM 0 HA ILE A 12 1.759 -1.462 -5.775 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.479 0.086 -4.633 1.00 0.00 H new ATOM 0 HG12 ILE A 12 2.234 -0.235 -3.360 1.00 0.00 H new ATOM 0 HG13 ILE A 12 1.693 1.220 -4.174 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.238 -1.563 -2.795 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -0.591 -2.323 -4.365 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.065 -2.352 -3.715 1.00 0.00 H new ATOM 0 HD11 ILE A 12 1.454 1.421 -1.767 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -0.139 1.457 -2.560 1.00 0.00 H new ATOM 0 HD13 ILE A 12 0.411 -0.020 -1.734 1.00 0.00 H new ATOM 159 N ALA A 13 -1.170 -0.399 -7.141 1.00 0.00 N ATOM 160 CA ALA A 13 -2.359 -0.849 -7.819 1.00 0.00 C ATOM 161 C ALA A 13 -2.082 -1.561 -9.130 1.00 0.00 C ATOM 162 O ALA A 13 -2.779 -2.509 -9.466 1.00 0.00 O ATOM 163 CB ALA A 13 -3.255 0.357 -8.015 1.00 0.00 C ATOM 0 H ALA A 13 -1.189 0.602 -6.945 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.850 -1.602 -7.203 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.168 0.053 -8.527 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.508 0.784 -7.044 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.734 1.104 -8.615 1.00 0.00 H new ATOM 169 N ALA A 14 -1.038 -1.151 -9.845 1.00 0.00 N ATOM 170 CA ALA A 14 -0.505 -1.824 -11.009 1.00 0.00 C ATOM 171 C ALA A 14 0.170 -3.141 -10.677 1.00 0.00 C ATOM 172 O ALA A 14 0.010 -4.120 -11.393 1.00 0.00 O ATOM 173 CB ALA A 14 0.488 -0.907 -11.692 1.00 0.00 C ATOM 0 H ALA A 14 -0.523 -0.302 -9.612 1.00 0.00 H new ATOM 0 HA ALA A 14 -1.344 -2.056 -11.665 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.897 -1.404 -12.572 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -0.014 0.012 -11.995 1.00 0.00 H new ATOM 0 HB3 ALA A 14 1.297 -0.668 -11.002 1.00 0.00 H new ATOM 179 N ILE A 15 0.931 -3.186 -9.587 1.00 0.00 N ATOM 180 CA ILE A 15 1.583 -4.354 -9.037 1.00 0.00 C ATOM 181 C ILE A 15 0.568 -5.304 -8.430 1.00 0.00 C ATOM 182 O ILE A 15 0.758 -6.504 -8.536 1.00 0.00 O ATOM 183 CB ILE A 15 2.639 -3.908 -8.036 1.00 0.00 C ATOM 184 CG1 ILE A 15 3.929 -3.435 -8.689 1.00 0.00 C ATOM 185 CG2 ILE A 15 3.013 -5.006 -7.051 1.00 0.00 C ATOM 186 CD1 ILE A 15 3.768 -2.189 -9.542 1.00 0.00 C ATOM 0 H ILE A 15 1.116 -2.349 -9.034 1.00 0.00 H new ATOM 0 HA ILE A 15 2.082 -4.910 -9.831 1.00 0.00 H new ATOM 0 HB ILE A 15 2.166 -3.075 -7.516 1.00 0.00 H new ATOM 0 HG12 ILE A 15 4.667 -3.238 -7.911 1.00 0.00 H new ATOM 0 HG13 ILE A 15 4.326 -4.239 -9.309 1.00 0.00 H new ATOM 0 HG21 ILE A 15 3.770 -4.633 -6.361 1.00 0.00 H new ATOM 0 HG22 ILE A 15 2.128 -5.309 -6.491 1.00 0.00 H new ATOM 0 HG23 ILE A 15 3.409 -5.863 -7.595 1.00 0.00 H new ATOM 0 HD11 ILE A 15 4.731 -1.916 -9.972 1.00 0.00 H new ATOM 0 HD12 ILE A 15 3.055 -2.386 -10.343 1.00 0.00 H new ATOM 0 HD13 ILE A 15 3.401 -1.370 -8.924 1.00 0.00 H new ATOM 198 N ILE A 16 -0.526 -4.853 -7.827 1.00 0.00 N ATOM 199 CA ILE A 16 -1.601 -5.701 -7.373 1.00 0.00 C ATOM 200 C ILE A 16 -2.077 -6.618 -8.487 1.00 0.00 C ATOM 201 O ILE A 16 -2.186 -7.819 -8.292 1.00 0.00 O ATOM 202 CB ILE A 16 -2.735 -4.858 -6.807 1.00 0.00 C ATOM 203 CG1 ILE A 16 -2.307 -4.047 -5.599 1.00 0.00 C ATOM 204 CG2 ILE A 16 -3.916 -5.761 -6.482 1.00 0.00 C ATOM 205 CD1 ILE A 16 -3.369 -3.378 -4.752 1.00 0.00 C ATOM 0 H ILE A 16 -0.685 -3.863 -7.640 1.00 0.00 H new ATOM 0 HA ILE A 16 -1.230 -6.339 -6.571 1.00 0.00 H new ATOM 0 HB ILE A 16 -3.033 -4.132 -7.564 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -1.732 -4.705 -4.947 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -1.626 -3.270 -5.948 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -4.731 -5.162 -6.076 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -4.251 -6.262 -7.390 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -3.613 -6.506 -5.747 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -2.894 -2.840 -3.931 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -3.935 -2.677 -5.365 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -4.043 -4.134 -4.349 1.00 0.00 H new ATOM 217 N LYS A 17 -2.290 -6.058 -9.676 1.00 0.00 N ATOM 218 CA LYS A 17 -2.690 -6.763 -10.872 1.00 0.00 C ATOM 219 C LYS A 17 -1.571 -7.556 -11.520 1.00 0.00 C ATOM 220 O LYS A 17 -1.766 -8.717 -11.846 1.00 0.00 O ATOM 221 CB LYS A 17 -3.294 -5.739 -11.821 1.00 0.00 C ATOM 222 CG LYS A 17 -4.692 -5.317 -11.421 1.00 0.00 C ATOM 223 CD LYS A 17 -5.301 -4.400 -12.436 1.00 0.00 C ATOM 224 CE LYS A 17 -6.680 -3.974 -12.044 1.00 0.00 C ATOM 225 NZ LYS A 17 -7.315 -3.102 -12.935 1.00 0.00 N ATOM 0 H LYS A 17 -2.181 -5.055 -9.829 1.00 0.00 H new ATOM 0 HA LYS A 17 -3.425 -7.523 -10.606 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -2.651 -4.860 -11.856 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -3.320 -6.155 -12.828 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.320 -6.200 -11.304 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.659 -4.819 -10.452 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -4.669 -3.520 -12.556 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -5.337 -4.901 -13.403 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -7.298 -4.864 -11.931 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -6.630 -3.494 -11.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -8.262 -2.867 -12.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -6.754 -2.231 -13.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -7.402 -3.559 -13.865 1.00 0.00 H new ATOM 239 N ALA A 18 -0.385 -6.972 -11.644 1.00 0.00 N ATOM 240 CA ALA A 18 0.709 -7.552 -12.384 1.00 0.00 C ATOM 241 C ALA A 18 1.491 -8.565 -11.596 1.00 0.00 C ATOM 242 O ALA A 18 1.770 -9.634 -12.093 1.00 0.00 O ATOM 243 CB ALA A 18 1.606 -6.480 -12.922 1.00 0.00 C ATOM 0 H ALA A 18 -0.162 -6.070 -11.224 1.00 0.00 H new ATOM 0 HA ALA A 18 0.266 -8.097 -13.217 1.00 0.00 H new ATOM 0 HB1 ALA A 18 2.426 -6.936 -13.477 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.037 -5.828 -13.585 1.00 0.00 H new ATOM 0 HB3 ALA A 18 2.009 -5.894 -12.096 1.00 0.00 H new ATOM 249 N GLY A 19 1.782 -8.278 -10.339 1.00 0.00 N ATOM 250 CA GLY A 19 2.218 -9.220 -9.341 1.00 0.00 C ATOM 251 C GLY A 19 1.180 -10.285 -9.043 1.00 0.00 C ATOM 252 O GLY A 19 1.538 -11.429 -8.836 1.00 0.00 O ATOM 0 H GLY A 19 1.714 -7.328 -9.975 1.00 0.00 H new ATOM 0 HA2 GLY A 19 3.137 -9.699 -9.678 1.00 0.00 H new ATOM 0 HA3 GLY A 19 2.456 -8.684 -8.422 1.00 0.00 H new ATOM 256 N GLY A 20 -0.093 -9.935 -9.055 1.00 0.00 N ATOM 257 CA GLY A 20 -1.229 -10.788 -8.823 1.00 0.00 C ATOM 258 C GLY A 20 -1.358 -11.191 -7.369 1.00 0.00 C ATOM 259 O GLY A 20 -1.284 -12.377 -7.125 1.00 0.00 O ATOM 0 H GLY A 20 -0.374 -8.972 -9.242 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -2.137 -10.273 -9.137 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -1.141 -11.683 -9.439 1.00 0.00 H new ATOM 263 N TYR A 21 -1.557 -10.269 -6.437 1.00 0.00 N ATOM 264 CA TYR A 21 -1.587 -10.553 -5.038 1.00 0.00 C ATOM 265 C TYR A 21 -2.536 -11.639 -4.621 1.00 0.00 C ATOM 266 O TYR A 21 -2.183 -12.459 -3.811 1.00 0.00 O ATOM 267 CB TYR A 21 -1.896 -9.304 -4.230 1.00 0.00 C ATOM 268 CG TYR A 21 -0.694 -8.492 -3.843 1.00 0.00 C ATOM 269 CD1 TYR A 21 0.302 -8.989 -3.004 1.00 0.00 C ATOM 270 CD2 TYR A 21 -0.662 -7.158 -4.255 1.00 0.00 C ATOM 271 CE1 TYR A 21 1.377 -8.167 -2.675 1.00 0.00 C ATOM 272 CE2 TYR A 21 0.440 -6.346 -3.988 1.00 0.00 C ATOM 273 CZ TYR A 21 1.469 -6.864 -3.186 1.00 0.00 C ATOM 274 OH TYR A 21 2.547 -6.073 -2.935 1.00 0.00 O ATOM 0 H TYR A 21 -1.704 -9.283 -6.655 1.00 0.00 H new ATOM 0 HA TYR A 21 -0.582 -10.920 -4.828 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -2.573 -8.673 -4.806 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -2.427 -9.596 -3.324 1.00 0.00 H new ATOM 0 HD1 TYR A 21 0.241 -9.995 -2.616 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -1.506 -6.748 -4.790 1.00 0.00 H new ATOM 0 HE1 TYR A 21 2.150 -8.538 -2.018 1.00 0.00 H new ATOM 0 HE2 TYR A 21 0.500 -5.345 -4.388 1.00 0.00 H new ATOM 0 HH TYR A 21 3.320 -6.404 -3.439 1.00 0.00 H new HETATM 284 N NH2 A 22 -3.730 -11.677 -5.128 1.00 0.00 N TER 287 NH2 A 22 HETATM 288 C ACE B 23 1.675 -14.026 -4.709 1.00 0.00 C HETATM 289 O ACE B 23 1.898 -12.914 -5.120 1.00 0.00 O HETATM 290 CH3 ACE B 23 1.184 -15.091 -5.631 1.00 0.00 C HETATM 0 H1 ACE B 23 1.894 -15.918 -5.642 1.00 0.00 H new HETATM 0 H2 ACE B 23 0.214 -15.450 -5.288 1.00 0.00 H new HETATM 0 H3 ACE B 23 1.085 -14.684 -6.637 1.00 0.00 H new ATOM 294 N ALA B 24 1.835 -14.381 -3.451 1.00 0.00 N ATOM 295 CA ALA B 24 2.224 -13.503 -2.394 1.00 0.00 C ATOM 296 C ALA B 24 3.545 -12.822 -2.600 1.00 0.00 C ATOM 297 O ALA B 24 3.754 -11.741 -2.108 1.00 0.00 O ATOM 298 CB ALA B 24 2.206 -14.275 -1.102 1.00 0.00 C ATOM 0 H ALA B 24 1.687 -15.339 -3.134 1.00 0.00 H new ATOM 0 HA ALA B 24 1.502 -12.687 -2.371 1.00 0.00 H new ATOM 0 HB1 ALA B 24 2.501 -13.620 -0.282 1.00 0.00 H new ATOM 0 HB2 ALA B 24 1.201 -14.655 -0.919 1.00 0.00 H new ATOM 0 HB3 ALA B 24 2.903 -15.110 -1.167 1.00 0.00 H new ATOM 304 N LYS B 25 4.412 -13.367 -3.427 1.00 0.00 N ATOM 305 CA LYS B 25 5.651 -12.777 -3.837 1.00 0.00 C ATOM 306 C LYS B 25 5.562 -11.423 -4.497 1.00 0.00 C ATOM 307 O LYS B 25 6.556 -10.730 -4.552 1.00 0.00 O ATOM 308 CB LYS B 25 6.343 -13.700 -4.802 1.00 0.00 C ATOM 309 CG LYS B 25 6.877 -14.955 -4.174 1.00 0.00 C ATOM 310 CD LYS B 25 7.577 -15.847 -5.142 1.00 0.00 C ATOM 311 CE LYS B 25 8.244 -16.991 -4.484 1.00 0.00 C ATOM 312 NZ LYS B 25 8.958 -17.776 -5.404 1.00 0.00 N ATOM 0 H LYS B 25 4.255 -14.282 -3.849 1.00 0.00 H new ATOM 0 HA LYS B 25 6.196 -12.626 -2.905 1.00 0.00 H new ATOM 0 HB2 LYS B 25 5.644 -13.971 -5.593 1.00 0.00 H new ATOM 0 HB3 LYS B 25 7.166 -13.164 -5.274 1.00 0.00 H new ATOM 0 HG2 LYS B 25 7.566 -14.687 -3.373 1.00 0.00 H new ATOM 0 HG3 LYS B 25 6.053 -15.503 -3.716 1.00 0.00 H new ATOM 0 HD2 LYS B 25 6.858 -16.221 -5.871 1.00 0.00 H new ATOM 0 HD3 LYS B 25 8.318 -15.268 -5.693 1.00 0.00 H new ATOM 0 HE2 LYS B 25 8.924 -16.623 -3.715 1.00 0.00 H new ATOM 0 HE3 LYS B 25 7.498 -17.607 -3.982 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 9.412 -18.568 -4.906 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 8.305 -18.148 -6.123 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 9.686 -17.194 -5.865 1.00 0.00 H new ATOM 326 N ALA B 26 4.385 -11.017 -4.936 1.00 0.00 N ATOM 327 CA ALA B 26 4.013 -9.688 -5.331 1.00 0.00 C ATOM 328 C ALA B 26 4.334 -8.649 -4.277 1.00 0.00 C ATOM 329 O ALA B 26 4.271 -7.461 -4.557 1.00 0.00 O ATOM 330 CB ALA B 26 2.534 -9.688 -5.671 1.00 0.00 C ATOM 0 H ALA B 26 3.606 -11.669 -5.030 1.00 0.00 H new ATOM 0 HA ALA B 26 4.602 -9.408 -6.205 1.00 0.00 H new ATOM 0 HB1 ALA B 26 2.230 -8.686 -5.974 1.00 0.00 H new ATOM 0 HB2 ALA B 26 2.348 -10.386 -6.487 1.00 0.00 H new ATOM 0 HB3 ALA B 26 1.960 -9.992 -4.796 1.00 0.00 H new ATOM 336 N ALA B 27 4.643 -9.076 -3.056 1.00 0.00 N ATOM 337 CA ALA B 27 4.807 -8.292 -1.854 1.00 0.00 C ATOM 338 C ALA B 27 5.914 -7.269 -2.035 1.00 0.00 C ATOM 339 O ALA B 27 5.618 -6.130 -2.361 1.00 0.00 O ATOM 340 CB ALA B 27 4.901 -9.224 -0.653 1.00 0.00 C ATOM 0 H ALA B 27 4.797 -10.068 -2.876 1.00 0.00 H new ATOM 0 HA ALA B 27 3.935 -7.673 -1.644 1.00 0.00 H new ATOM 0 HB1 ALA B 27 5.025 -8.635 0.256 1.00 0.00 H new ATOM 0 HB2 ALA B 27 3.989 -9.816 -0.580 1.00 0.00 H new ATOM 0 HB3 ALA B 27 5.757 -9.888 -0.774 1.00 0.00 H new ATOM 346 N ALA B 28 7.174 -7.666 -1.869 1.00 0.00 N ATOM 347 CA ALA B 28 8.257 -6.715 -1.812 1.00 0.00 C ATOM 348 C ALA B 28 8.400 -5.900 -3.081 1.00 0.00 C ATOM 349 O ALA B 28 8.772 -4.741 -3.039 1.00 0.00 O ATOM 350 CB ALA B 28 9.543 -7.452 -1.482 1.00 0.00 C ATOM 0 H ALA B 28 7.459 -8.641 -1.773 1.00 0.00 H new ATOM 0 HA ALA B 28 8.030 -5.993 -1.027 1.00 0.00 H new ATOM 0 HB1 ALA B 28 10.368 -6.741 -1.437 1.00 0.00 H new ATOM 0 HB2 ALA B 28 9.440 -7.950 -0.518 1.00 0.00 H new ATOM 0 HB3 ALA B 28 9.745 -8.194 -2.254 1.00 0.00 H new ATOM 356 N ALA B 29 7.978 -6.444 -4.218 1.00 0.00 N ATOM 357 CA ALA B 29 8.018 -5.739 -5.480 1.00 0.00 C ATOM 358 C ALA B 29 7.069 -4.568 -5.580 1.00 0.00 C ATOM 359 O ALA B 29 7.196 -3.752 -6.465 1.00 0.00 O ATOM 360 CB ALA B 29 7.781 -6.748 -6.581 1.00 0.00 C ATOM 0 H ALA B 29 7.599 -7.389 -4.283 1.00 0.00 H new ATOM 0 HA ALA B 29 9.002 -5.279 -5.575 1.00 0.00 H new ATOM 0 HB1 ALA B 29 7.806 -6.244 -7.547 1.00 0.00 H new ATOM 0 HB2 ALA B 29 8.559 -7.511 -6.549 1.00 0.00 H new ATOM 0 HB3 ALA B 29 6.807 -7.217 -6.441 1.00 0.00 H new ATOM 366 N ALA B 30 6.129 -4.416 -4.663 1.00 0.00 N ATOM 367 CA ALA B 30 5.583 -3.146 -4.257 1.00 0.00 C ATOM 368 C ALA B 30 6.138 -2.749 -2.905 1.00 0.00 C ATOM 369 O ALA B 30 6.881 -1.789 -2.784 1.00 0.00 O ATOM 370 CB ALA B 30 4.077 -3.178 -4.214 1.00 0.00 C ATOM 0 H ALA B 30 5.715 -5.205 -4.167 1.00 0.00 H new ATOM 0 HA ALA B 30 5.877 -2.403 -4.998 1.00 0.00 H new ATOM 0 HB1 ALA B 30 3.701 -2.203 -3.904 1.00 0.00 H new ATOM 0 HB2 ALA B 30 3.690 -3.418 -5.204 1.00 0.00 H new ATOM 0 HB3 ALA B 30 3.749 -3.936 -3.503 1.00 0.00 H new ATOM 376 N ILE B 31 5.759 -3.450 -1.845 1.00 0.00 N ATOM 377 CA ILE B 31 5.776 -3.031 -0.463 1.00 0.00 C ATOM 378 C ILE B 31 7.155 -2.638 0.037 1.00 0.00 C ATOM 379 O ILE B 31 7.262 -1.809 0.930 1.00 0.00 O ATOM 380 CB ILE B 31 5.169 -4.061 0.475 1.00 0.00 C ATOM 381 CG1 ILE B 31 3.844 -4.658 0.039 1.00 0.00 C ATOM 382 CG2 ILE B 31 4.991 -3.508 1.879 1.00 0.00 C ATOM 383 CD1 ILE B 31 2.811 -3.633 -0.331 1.00 0.00 C ATOM 0 H ILE B 31 5.405 -4.401 -1.945 1.00 0.00 H new ATOM 0 HA ILE B 31 5.151 -2.138 -0.450 1.00 0.00 H new ATOM 0 HB ILE B 31 5.903 -4.866 0.451 1.00 0.00 H new ATOM 0 HG12 ILE B 31 4.015 -5.313 -0.815 1.00 0.00 H new ATOM 0 HG13 ILE B 31 3.453 -5.280 0.845 1.00 0.00 H new ATOM 0 HG21 ILE B 31 4.554 -4.275 2.519 1.00 0.00 H new ATOM 0 HG22 ILE B 31 5.961 -3.210 2.278 1.00 0.00 H new ATOM 0 HG23 ILE B 31 4.330 -2.642 1.848 1.00 0.00 H new ATOM 0 HD11 ILE B 31 1.892 -4.135 -0.632 1.00 0.00 H new ATOM 0 HD12 ILE B 31 2.610 -2.992 0.528 1.00 0.00 H new ATOM 0 HD13 ILE B 31 3.180 -3.026 -1.158 1.00 0.00 H new ATOM 395 N LYS B 32 8.232 -3.185 -0.516 1.00 0.00 N ATOM 396 CA LYS B 32 9.574 -2.941 -0.038 1.00 0.00 C ATOM 397 C LYS B 32 10.111 -1.607 -0.523 1.00 0.00 C ATOM 398 O LYS B 32 10.681 -0.872 0.265 1.00 0.00 O ATOM 399 CB LYS B 32 10.426 -4.126 -0.473 1.00 0.00 C ATOM 400 CG LYS B 32 11.810 -4.267 0.136 1.00 0.00 C ATOM 401 CD LYS B 32 12.819 -3.292 -0.399 1.00 0.00 C ATOM 402 CE LYS B 32 14.202 -3.896 -0.475 1.00 0.00 C ATOM 403 NZ LYS B 32 14.822 -4.115 0.783 1.00 0.00 N ATOM 0 H LYS B 32 8.190 -3.816 -1.317 1.00 0.00 H new ATOM 0 HA LYS B 32 9.592 -2.862 1.049 1.00 0.00 H new ATOM 0 HB2 LYS B 32 9.869 -5.037 -0.253 1.00 0.00 H new ATOM 0 HB3 LYS B 32 10.540 -4.076 -1.556 1.00 0.00 H new ATOM 0 HG2 LYS B 32 11.735 -4.139 1.216 1.00 0.00 H new ATOM 0 HG3 LYS B 32 12.171 -5.280 -0.040 1.00 0.00 H new ATOM 0 HD2 LYS B 32 12.513 -2.961 -1.391 1.00 0.00 H new ATOM 0 HD3 LYS B 32 12.843 -2.408 0.239 1.00 0.00 H new ATOM 0 HE2 LYS B 32 14.140 -4.846 -1.005 1.00 0.00 H new ATOM 0 HE3 LYS B 32 14.838 -3.240 -1.069 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 15.764 -4.530 0.638 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 14.916 -3.210 1.286 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 14.240 -4.766 1.348 1.00 0.00 H new ATOM 417 N ALA B 33 9.835 -1.234 -1.768 1.00 0.00 N ATOM 418 CA ALA B 33 9.968 0.107 -2.279 1.00 0.00 C ATOM 419 C ALA B 33 8.977 1.042 -1.611 1.00 0.00 C ATOM 420 O ALA B 33 9.340 2.107 -1.137 1.00 0.00 O ATOM 421 CB ALA B 33 9.796 0.064 -3.788 1.00 0.00 C ATOM 0 H ALA B 33 9.499 -1.893 -2.471 1.00 0.00 H new ATOM 0 HA ALA B 33 10.958 0.502 -2.050 1.00 0.00 H new ATOM 0 HB1 ALA B 33 9.893 1.071 -4.194 1.00 0.00 H new ATOM 0 HB2 ALA B 33 10.561 -0.578 -4.223 1.00 0.00 H new ATOM 0 HB3 ALA B 33 8.810 -0.331 -4.031 1.00 0.00 H new ATOM 427 N ILE B 34 7.727 0.627 -1.444 1.00 0.00 N ATOM 428 CA ILE B 34 6.651 1.501 -1.038 1.00 0.00 C ATOM 429 C ILE B 34 6.778 1.872 0.427 1.00 0.00 C ATOM 430 O ILE B 34 6.616 3.045 0.730 1.00 0.00 O ATOM 431 CB ILE B 34 5.307 0.932 -1.440 1.00 0.00 C ATOM 432 CG1 ILE B 34 5.014 1.155 -2.856 1.00 0.00 C ATOM 433 CG2 ILE B 34 4.154 1.324 -0.631 1.00 0.00 C ATOM 434 CD1 ILE B 34 5.265 1.617 -3.812 1.00 0.00 C ATOM 0 H ILE B 34 7.436 -0.340 -1.590 1.00 0.00 H new ATOM 0 HA ILE B 34 6.727 2.446 -1.576 1.00 0.00 H new ATOM 0 HB ILE B 34 5.442 -0.131 -1.241 1.00 0.00 H new ATOM 0 HG12 ILE B 34 4.959 0.116 -3.181 1.00 0.00 H new ATOM 0 HG13 ILE B 34 3.989 1.514 -2.761 1.00 0.00 H new ATOM 0 HG21 ILE B 34 3.255 0.849 -1.024 1.00 0.00 H new ATOM 0 HG22 ILE B 34 4.309 1.009 0.401 1.00 0.00 H new ATOM 0 HG23 ILE B 34 4.036 2.407 -0.666 1.00 0.00 H new ATOM 0 HD11 ILE B 34 4.526 1.330 -4.560 1.00 0.00 H new ATOM 0 HD12 ILE B 34 5.268 2.701 -3.702 1.00 0.00 H new ATOM 0 HD13 ILE B 34 6.252 1.282 -4.130 1.00 0.00 H new ATOM 446 N ALA B 35 7.175 0.976 1.328 1.00 0.00 N ATOM 447 CA ALA B 35 7.323 1.342 2.719 1.00 0.00 C ATOM 448 C ALA B 35 8.421 2.355 2.960 1.00 0.00 C ATOM 449 O ALA B 35 8.382 3.042 3.968 1.00 0.00 O ATOM 450 CB ALA B 35 7.592 0.073 3.507 1.00 0.00 C ATOM 0 H ALA B 35 7.396 0.003 1.115 1.00 0.00 H new ATOM 0 HA ALA B 35 6.402 1.825 3.045 1.00 0.00 H new ATOM 0 HB1 ALA B 35 7.708 0.318 4.563 1.00 0.00 H new ATOM 0 HB2 ALA B 35 6.756 -0.616 3.384 1.00 0.00 H new ATOM 0 HB3 ALA B 35 8.505 -0.396 3.141 1.00 0.00 H new ATOM 456 N ALA B 36 9.336 2.526 2.010 1.00 0.00 N ATOM 457 CA ALA B 36 10.354 3.550 1.976 1.00 0.00 C ATOM 458 C ALA B 36 9.905 4.820 1.273 1.00 0.00 C ATOM 459 O ALA B 36 10.159 5.904 1.767 1.00 0.00 O ATOM 460 CB ALA B 36 11.599 2.970 1.327 1.00 0.00 C ATOM 0 H ALA B 36 9.382 1.911 1.197 1.00 0.00 H new ATOM 0 HA ALA B 36 10.568 3.852 3.001 1.00 0.00 H new ATOM 0 HB1 ALA B 36 12.379 3.730 1.293 1.00 0.00 H new ATOM 0 HB2 ALA B 36 11.949 2.117 1.909 1.00 0.00 H new ATOM 0 HB3 ALA B 36 11.364 2.646 0.313 1.00 0.00 H new ATOM 466 N ILE B 37 9.161 4.699 0.180 1.00 0.00 N ATOM 467 CA ILE B 37 8.490 5.766 -0.531 1.00 0.00 C ATOM 468 C ILE B 37 7.436 6.408 0.352 1.00 0.00 C ATOM 469 O ILE B 37 7.228 7.608 0.290 1.00 0.00 O ATOM 470 CB ILE B 37 7.951 5.237 -1.854 1.00 0.00 C ATOM 471 CG1 ILE B 37 9.052 4.901 -2.842 1.00 0.00 C ATOM 472 CG2 ILE B 37 6.928 6.137 -2.511 1.00 0.00 C ATOM 473 CD1 ILE B 37 8.659 3.919 -3.918 1.00 0.00 C ATOM 0 H ILE B 37 9.004 3.791 -0.257 1.00 0.00 H new ATOM 0 HA ILE B 37 9.193 6.562 -0.777 1.00 0.00 H new ATOM 0 HB ILE B 37 7.436 4.317 -1.577 1.00 0.00 H new ATOM 0 HG12 ILE B 37 9.389 5.823 -3.316 1.00 0.00 H new ATOM 0 HG13 ILE B 37 9.902 4.496 -2.293 1.00 0.00 H new ATOM 0 HG21 ILE B 37 6.596 5.688 -3.447 1.00 0.00 H new ATOM 0 HG22 ILE B 37 6.074 6.263 -1.846 1.00 0.00 H new ATOM 0 HG23 ILE B 37 7.376 7.109 -2.715 1.00 0.00 H new ATOM 0 HD11 ILE B 37 9.509 3.741 -4.576 1.00 0.00 H new ATOM 0 HD12 ILE B 37 8.352 2.979 -3.459 1.00 0.00 H new ATOM 0 HD13 ILE B 37 7.831 4.327 -4.498 1.00 0.00 H new ATOM 485 N ILE B 38 6.808 5.667 1.257 1.00 0.00 N ATOM 486 CA ILE B 38 5.880 6.187 2.234 1.00 0.00 C ATOM 487 C ILE B 38 6.547 7.198 3.147 1.00 0.00 C ATOM 488 O ILE B 38 6.097 8.324 3.268 1.00 0.00 O ATOM 489 CB ILE B 38 5.246 5.028 2.986 1.00 0.00 C ATOM 490 CG1 ILE B 38 4.213 4.361 2.098 1.00 0.00 C ATOM 491 CG2 ILE B 38 4.604 5.514 4.273 1.00 0.00 C ATOM 492 CD1 ILE B 38 3.427 3.212 2.684 1.00 0.00 C ATOM 0 H ILE B 38 6.940 4.658 1.327 1.00 0.00 H new ATOM 0 HA ILE B 38 5.083 6.733 1.730 1.00 0.00 H new ATOM 0 HB ILE B 38 6.019 4.305 3.247 1.00 0.00 H new ATOM 0 HG12 ILE B 38 3.504 5.124 1.775 1.00 0.00 H new ATOM 0 HG13 ILE B 38 4.721 4.000 1.204 1.00 0.00 H new ATOM 0 HG21 ILE B 38 4.156 4.670 4.797 1.00 0.00 H new ATOM 0 HG22 ILE B 38 5.362 5.973 4.907 1.00 0.00 H new ATOM 0 HG23 ILE B 38 3.832 6.248 4.040 1.00 0.00 H new ATOM 0 HD11 ILE B 38 2.727 2.833 1.939 1.00 0.00 H new ATOM 0 HD12 ILE B 38 4.111 2.416 2.978 1.00 0.00 H new ATOM 0 HD13 ILE B 38 2.875 3.557 3.558 1.00 0.00 H new ATOM 504 N LYS B 39 7.656 6.788 3.750 1.00 0.00 N ATOM 505 CA LYS B 39 8.509 7.563 4.617 1.00 0.00 C ATOM 506 C LYS B 39 9.061 8.807 3.951 1.00 0.00 C ATOM 507 O LYS B 39 9.164 9.842 4.586 1.00 0.00 O ATOM 508 CB LYS B 39 9.612 6.634 5.097 1.00 0.00 C ATOM 509 CG LYS B 39 9.224 5.637 6.169 1.00 0.00 C ATOM 510 CD LYS B 39 10.401 4.729 6.391 1.00 0.00 C ATOM 511 CE LYS B 39 10.070 3.693 7.407 1.00 0.00 C ATOM 512 NZ LYS B 39 11.141 2.757 7.588 1.00 0.00 N ATOM 0 H LYS B 39 8.000 5.835 3.632 1.00 0.00 H new ATOM 0 HA LYS B 39 7.930 7.943 5.459 1.00 0.00 H new ATOM 0 HB2 LYS B 39 9.994 6.083 4.238 1.00 0.00 H new ATOM 0 HB3 LYS B 39 10.433 7.243 5.476 1.00 0.00 H new ATOM 0 HG2 LYS B 39 8.958 6.151 7.092 1.00 0.00 H new ATOM 0 HG3 LYS B 39 8.350 5.063 5.860 1.00 0.00 H new ATOM 0 HD2 LYS B 39 10.682 4.251 5.453 1.00 0.00 H new ATOM 0 HD3 LYS B 39 11.261 5.311 6.722 1.00 0.00 H new ATOM 0 HE2 LYS B 39 9.846 4.176 8.358 1.00 0.00 H new ATOM 0 HE3 LYS B 39 9.170 3.160 7.101 1.00 0.00 H new ATOM 0 HZ1 LYS B 39 10.869 2.053 8.304 1.00 0.00 H new ATOM 0 HZ2 LYS B 39 11.338 2.277 6.687 1.00 0.00 H new ATOM 0 HZ3 LYS B 39 11.993 3.262 7.905 1.00 0.00 H new ATOM 526 N ALA B 40 9.371 8.767 2.662 1.00 0.00 N ATOM 527 CA ALA B 40 9.803 9.898 1.884 1.00 0.00 C ATOM 528 C ALA B 40 8.671 10.770 1.403 1.00 0.00 C ATOM 529 O ALA B 40 8.842 11.951 1.238 1.00 0.00 O ATOM 530 CB ALA B 40 10.622 9.358 0.736 1.00 0.00 C ATOM 0 H ALA B 40 9.323 7.906 2.117 1.00 0.00 H new ATOM 0 HA ALA B 40 10.398 10.559 2.514 1.00 0.00 H new ATOM 0 HB1 ALA B 40 10.971 10.185 0.118 1.00 0.00 H new ATOM 0 HB2 ALA B 40 11.479 8.810 1.127 1.00 0.00 H new ATOM 0 HB3 ALA B 40 10.007 8.689 0.134 1.00 0.00 H new ATOM 536 N GLY B 41 7.511 10.184 1.186 1.00 0.00 N ATOM 537 CA GLY B 41 6.298 10.778 0.681 1.00 0.00 C ATOM 538 C GLY B 41 5.654 11.676 1.709 1.00 0.00 C ATOM 539 O GLY B 41 5.153 12.735 1.389 1.00 0.00 O ATOM 0 H GLY B 41 7.387 9.190 1.377 1.00 0.00 H new ATOM 0 HA2 GLY B 41 6.520 11.353 -0.218 1.00 0.00 H new ATOM 0 HA3 GLY B 41 5.599 9.993 0.393 1.00 0.00 H new ATOM 543 N GLY B 42 5.676 11.225 2.955 1.00 0.00 N ATOM 544 CA GLY B 42 5.165 11.906 4.113 1.00 0.00 C ATOM 545 C GLY B 42 3.701 11.670 4.369 1.00 0.00 C ATOM 546 O GLY B 42 3.039 12.555 4.896 1.00 0.00 O ATOM 0 H GLY B 42 6.078 10.317 3.187 1.00 0.00 H new ATOM 0 HA2 GLY B 42 5.732 11.587 4.988 1.00 0.00 H new ATOM 0 HA3 GLY B 42 5.334 12.976 3.996 1.00 0.00 H new ATOM 550 N TYR B 43 3.181 10.516 3.976 1.00 0.00 N ATOM 551 CA TYR B 43 1.812 10.134 3.962 1.00 0.00 C ATOM 552 C TYR B 43 1.116 10.273 5.276 1.00 0.00 C ATOM 553 O TYR B 43 -0.043 10.538 5.334 1.00 0.00 O ATOM 554 CB TYR B 43 1.774 8.673 3.540 1.00 0.00 C ATOM 555 CG TYR B 43 1.546 8.382 2.081 1.00 0.00 C ATOM 556 CD1 TYR B 43 0.366 8.688 1.406 1.00 0.00 C ATOM 557 CD2 TYR B 43 2.513 7.610 1.457 1.00 0.00 C ATOM 558 CE1 TYR B 43 0.123 8.144 0.142 1.00 0.00 C ATOM 559 CE2 TYR B 43 2.283 7.022 0.214 1.00 0.00 C ATOM 560 CZ TYR B 43 1.071 7.288 -0.432 1.00 0.00 C ATOM 561 OH TYR B 43 0.883 6.791 -1.684 1.00 0.00 O ATOM 0 H TYR B 43 3.780 9.766 3.630 1.00 0.00 H new ATOM 0 HA TYR B 43 1.286 10.801 3.279 1.00 0.00 H new ATOM 0 HB2 TYR B 43 2.718 8.213 3.832 1.00 0.00 H new ATOM 0 HB3 TYR B 43 0.988 8.178 4.110 1.00 0.00 H new ATOM 0 HD1 TYR B 43 -0.361 9.346 1.860 1.00 0.00 H new ATOM 0 HD2 TYR B 43 3.465 7.461 1.944 1.00 0.00 H new ATOM 0 HE1 TYR B 43 -0.788 8.382 -0.387 1.00 0.00 H new ATOM 0 HE2 TYR B 43 3.022 6.377 -0.239 1.00 0.00 H new ATOM 0 HH TYR B 43 1.221 7.431 -2.344 1.00 0.00 H new HETATM 571 N NH2 B 44 1.772 10.150 6.378 1.00 0.00 N TER 574 NH2 B 44 HETATM 575 C ACE C 45 -7.451 14.255 -2.584 1.00 0.00 C HETATM 576 O ACE C 45 -7.084 14.875 -1.612 1.00 0.00 O HETATM 577 CH3 ACE C 45 -8.453 14.863 -3.500 1.00 0.00 C HETATM 0 H1 ACE C 45 -8.025 14.954 -4.499 1.00 0.00 H new HETATM 0 H2 ACE C 45 -9.340 14.230 -3.541 1.00 0.00 H new HETATM 0 H3 ACE C 45 -8.729 15.851 -3.133 1.00 0.00 H new ATOM 581 N ALA C 46 -7.066 13.018 -2.873 1.00 0.00 N ATOM 582 CA ALA C 46 -6.088 12.224 -2.182 1.00 0.00 C ATOM 583 C ALA C 46 -6.360 11.909 -0.730 1.00 0.00 C ATOM 584 O ALA C 46 -5.544 11.273 -0.090 1.00 0.00 O ATOM 585 CB ALA C 46 -4.711 12.769 -2.412 1.00 0.00 C ATOM 0 H ALA C 46 -7.470 12.514 -3.663 1.00 0.00 H new ATOM 0 HA ALA C 46 -6.169 11.237 -2.638 1.00 0.00 H new ATOM 0 HB1 ALA C 46 -3.983 12.155 -1.881 1.00 0.00 H new ATOM 0 HB2 ALA C 46 -4.488 12.755 -3.479 1.00 0.00 H new ATOM 0 HB3 ALA C 46 -4.659 13.794 -2.044 1.00 0.00 H new ATOM 591 N LYS C 47 -7.514 12.253 -0.179 1.00 0.00 N ATOM 592 CA LYS C 47 -7.902 12.034 1.189 1.00 0.00 C ATOM 593 C LYS C 47 -7.972 10.577 1.602 1.00 0.00 C ATOM 594 O LYS C 47 -7.952 10.288 2.790 1.00 0.00 O ATOM 595 CB LYS C 47 -9.225 12.680 1.480 1.00 0.00 C ATOM 596 CG LYS C 47 -9.294 14.162 1.278 1.00 0.00 C ATOM 597 CD LYS C 47 -10.634 14.696 1.653 1.00 0.00 C ATOM 598 CE LYS C 47 -10.762 16.156 1.640 1.00 0.00 C ATOM 599 NZ LYS C 47 -10.809 16.704 0.412 1.00 0.00 N ATOM 0 H LYS C 47 -8.244 12.721 -0.716 1.00 0.00 H new ATOM 0 HA LYS C 47 -7.106 12.492 1.775 1.00 0.00 H new ATOM 0 HB2 LYS C 47 -9.981 12.212 0.849 1.00 0.00 H new ATOM 0 HB3 LYS C 47 -9.493 12.462 2.514 1.00 0.00 H new ATOM 0 HG2 LYS C 47 -8.525 14.649 1.877 1.00 0.00 H new ATOM 0 HG3 LYS C 47 -9.084 14.400 0.235 1.00 0.00 H new ATOM 0 HD2 LYS C 47 -11.375 14.278 0.971 1.00 0.00 H new ATOM 0 HD3 LYS C 47 -10.882 14.337 2.652 1.00 0.00 H new ATOM 0 HE2 LYS C 47 -11.666 16.433 2.182 1.00 0.00 H new ATOM 0 HE3 LYS C 47 -9.921 16.586 2.183 1.00 0.00 H new ATOM 0 HZ1 LYS C 47 -10.900 17.737 0.496 1.00 0.00 H new ATOM 0 HZ2 LYS C 47 -9.936 16.474 -0.104 1.00 0.00 H new ATOM 0 HZ3 LYS C 47 -11.628 16.326 -0.106 1.00 0.00 H new ATOM 613 N ALA C 48 -8.027 9.643 0.660 1.00 0.00 N ATOM 614 CA ALA C 48 -7.839 8.227 0.836 1.00 0.00 C ATOM 615 C ALA C 48 -6.533 7.852 1.506 1.00 0.00 C ATOM 616 O ALA C 48 -6.339 6.717 1.918 1.00 0.00 O ATOM 617 CB ALA C 48 -7.896 7.586 -0.538 1.00 0.00 C ATOM 0 H ALA C 48 -8.218 9.883 -0.313 1.00 0.00 H new ATOM 0 HA ALA C 48 -8.626 7.871 1.500 1.00 0.00 H new ATOM 0 HB1 ALA C 48 -7.757 6.509 -0.443 1.00 0.00 H new ATOM 0 HB2 ALA C 48 -8.865 7.788 -0.994 1.00 0.00 H new ATOM 0 HB3 ALA C 48 -7.107 8.000 -1.166 1.00 0.00 H new ATOM 623 N ALA C 49 -5.614 8.808 1.636 1.00 0.00 N ATOM 624 CA ALA C 49 -4.225 8.645 1.971 1.00 0.00 C ATOM 625 C ALA C 49 -4.073 8.140 3.392 1.00 0.00 C ATOM 626 O ALA C 49 -4.022 6.935 3.597 1.00 0.00 O ATOM 627 CB ALA C 49 -3.447 9.893 1.595 1.00 0.00 C ATOM 0 H ALA C 49 -5.854 9.789 1.496 1.00 0.00 H new ATOM 0 HA ALA C 49 -3.764 7.858 1.374 1.00 0.00 H new ATOM 0 HB1 ALA C 49 -2.397 9.758 1.853 1.00 0.00 H new ATOM 0 HB2 ALA C 49 -3.538 10.069 0.523 1.00 0.00 H new ATOM 0 HB3 ALA C 49 -3.847 10.749 2.138 1.00 0.00 H new ATOM 633 N ALA C 50 -4.015 8.999 4.402 1.00 0.00 N ATOM 634 CA ALA C 50 -3.833 8.532 5.756 1.00 0.00 C ATOM 635 C ALA C 50 -4.911 7.573 6.225 1.00 0.00 C ATOM 636 O ALA C 50 -4.648 6.643 6.969 1.00 0.00 O ATOM 637 CB ALA C 50 -3.698 9.722 6.683 1.00 0.00 C ATOM 0 H ALA C 50 -4.091 10.011 4.304 1.00 0.00 H new ATOM 0 HA ALA C 50 -2.914 7.946 5.776 1.00 0.00 H new ATOM 0 HB1 ALA C 50 -3.560 9.372 7.706 1.00 0.00 H new ATOM 0 HB2 ALA C 50 -2.837 10.320 6.385 1.00 0.00 H new ATOM 0 HB3 ALA C 50 -4.600 10.332 6.626 1.00 0.00 H new ATOM 643 N ALA C 51 -6.127 7.691 5.701 1.00 0.00 N ATOM 644 CA ALA C 51 -7.238 6.810 5.956 1.00 0.00 C ATOM 645 C ALA C 51 -7.029 5.371 5.529 1.00 0.00 C ATOM 646 O ALA C 51 -7.700 4.511 6.040 1.00 0.00 O ATOM 647 CB ALA C 51 -8.488 7.397 5.327 1.00 0.00 C ATOM 0 H ALA C 51 -6.366 8.444 5.056 1.00 0.00 H new ATOM 0 HA ALA C 51 -7.344 6.749 7.039 1.00 0.00 H new ATOM 0 HB1 ALA C 51 -9.334 6.737 5.515 1.00 0.00 H new ATOM 0 HB2 ALA C 51 -8.688 8.376 5.761 1.00 0.00 H new ATOM 0 HB3 ALA C 51 -8.340 7.500 4.252 1.00 0.00 H new ATOM 653 N ALA C 52 -6.067 5.061 4.684 1.00 0.00 N ATOM 654 CA ALA C 52 -5.460 3.762 4.561 1.00 0.00 C ATOM 655 C ALA C 52 -4.100 3.753 5.220 1.00 0.00 C ATOM 656 O ALA C 52 -3.858 2.995 6.144 1.00 0.00 O ATOM 657 CB ALA C 52 -5.341 3.401 3.091 1.00 0.00 C ATOM 0 H ALA C 52 -5.673 5.743 4.037 1.00 0.00 H new ATOM 0 HA ALA C 52 -6.085 3.023 5.062 1.00 0.00 H new ATOM 0 HB1 ALA C 52 -4.881 2.417 2.994 1.00 0.00 H new ATOM 0 HB2 ALA C 52 -6.333 3.384 2.639 1.00 0.00 H new ATOM 0 HB3 ALA C 52 -4.723 4.142 2.583 1.00 0.00 H new ATOM 663 N ILE C 53 -3.178 4.581 4.732 1.00 0.00 N ATOM 664 CA ILE C 53 -1.751 4.441 4.900 1.00 0.00 C ATOM 665 C ILE C 53 -1.325 4.601 6.350 1.00 0.00 C ATOM 666 O ILE C 53 -0.354 3.985 6.772 1.00 0.00 O ATOM 667 CB ILE C 53 -0.994 5.424 4.019 1.00 0.00 C ATOM 668 CG1 ILE C 53 -1.362 5.391 2.545 1.00 0.00 C ATOM 669 CG2 ILE C 53 0.496 5.146 4.107 1.00 0.00 C ATOM 670 CD1 ILE C 53 -1.441 4.016 1.918 1.00 0.00 C ATOM 0 H ILE C 53 -3.428 5.404 4.184 1.00 0.00 H new ATOM 0 HA ILE C 53 -1.499 3.427 4.591 1.00 0.00 H new ATOM 0 HB ILE C 53 -1.273 6.405 4.403 1.00 0.00 H new ATOM 0 HG12 ILE C 53 -2.326 5.883 2.419 1.00 0.00 H new ATOM 0 HG13 ILE C 53 -0.629 5.980 1.993 1.00 0.00 H new ATOM 0 HG21 ILE C 53 1.036 5.851 3.475 1.00 0.00 H new ATOM 0 HG22 ILE C 53 0.827 5.257 5.140 1.00 0.00 H new ATOM 0 HG23 ILE C 53 0.697 4.129 3.769 1.00 0.00 H new ATOM 0 HD11 ILE C 53 -1.710 4.111 0.866 1.00 0.00 H new ATOM 0 HD12 ILE C 53 -0.473 3.522 2.002 1.00 0.00 H new ATOM 0 HD13 ILE C 53 -2.197 3.424 2.434 1.00 0.00 H new ATOM 682 N LYS C 54 -2.069 5.351 7.157 1.00 0.00 N ATOM 683 CA LYS C 54 -1.744 5.579 8.548 1.00 0.00 C ATOM 684 C LYS C 54 -1.982 4.354 9.411 1.00 0.00 C ATOM 685 O LYS C 54 -1.142 4.010 10.224 1.00 0.00 O ATOM 686 CB LYS C 54 -2.487 6.829 8.992 1.00 0.00 C ATOM 687 CG LYS C 54 -1.767 7.731 9.975 1.00 0.00 C ATOM 688 CD LYS C 54 -1.779 7.242 11.273 1.00 0.00 C ATOM 689 CE LYS C 54 -1.076 8.116 12.258 1.00 0.00 C ATOM 690 NZ LYS C 54 -1.726 9.177 12.631 1.00 0.00 N ATOM 0 H LYS C 54 -2.923 5.820 6.854 1.00 0.00 H new ATOM 0 HA LYS C 54 -0.675 5.754 8.672 1.00 0.00 H new ATOM 0 HB2 LYS C 54 -2.729 7.415 8.105 1.00 0.00 H new ATOM 0 HB3 LYS C 54 -3.433 6.523 9.439 1.00 0.00 H new ATOM 0 HG2 LYS C 54 -0.734 7.860 9.651 1.00 0.00 H new ATOM 0 HG3 LYS C 54 -2.231 8.717 9.961 1.00 0.00 H new ATOM 0 HD2 LYS C 54 -2.813 7.112 11.592 1.00 0.00 H new ATOM 0 HD3 LYS C 54 -1.316 6.255 11.283 1.00 0.00 H new ATOM 0 HE2 LYS C 54 -0.845 7.523 13.143 1.00 0.00 H new ATOM 0 HE3 LYS C 54 -0.125 8.427 11.826 1.00 0.00 H new ATOM 0 HZ1 LYS C 54 -1.167 9.696 13.338 1.00 0.00 H new ATOM 0 HZ2 LYS C 54 -1.895 9.789 11.807 1.00 0.00 H new ATOM 0 HZ3 LYS C 54 -2.637 8.898 13.047 1.00 0.00 H new ATOM 704 N ALA C 55 -3.074 3.652 9.138 1.00 0.00 N ATOM 705 CA ALA C 55 -3.271 2.318 9.646 1.00 0.00 C ATOM 706 C ALA C 55 -2.312 1.326 9.017 1.00 0.00 C ATOM 707 O ALA C 55 -1.786 0.458 9.696 1.00 0.00 O ATOM 708 CB ALA C 55 -4.715 1.895 9.466 1.00 0.00 C ATOM 0 H ALA C 55 -3.840 3.997 8.560 1.00 0.00 H new ATOM 0 HA ALA C 55 -3.050 2.327 10.713 1.00 0.00 H new ATOM 0 HB1 ALA C 55 -4.849 0.885 9.854 1.00 0.00 H new ATOM 0 HB2 ALA C 55 -5.366 2.582 10.008 1.00 0.00 H new ATOM 0 HB3 ALA C 55 -4.970 1.913 8.406 1.00 0.00 H new ATOM 714 N ILE C 56 -2.057 1.448 7.720 1.00 0.00 N ATOM 715 CA ILE C 56 -1.404 0.415 6.949 1.00 0.00 C ATOM 716 C ILE C 56 0.093 0.448 7.185 1.00 0.00 C ATOM 717 O ILE C 56 0.667 -0.621 7.328 1.00 0.00 O ATOM 718 CB ILE C 56 -1.886 0.410 5.512 1.00 0.00 C ATOM 719 CG1 ILE C 56 -3.267 -0.206 5.483 1.00 0.00 C ATOM 720 CG2 ILE C 56 -0.961 -0.367 4.616 1.00 0.00 C ATOM 721 CD1 ILE C 56 -4.011 -0.168 4.173 1.00 0.00 C ATOM 0 H ILE C 56 -2.302 2.275 7.176 1.00 0.00 H new ATOM 0 HA ILE C 56 -1.698 -0.575 7.298 1.00 0.00 H new ATOM 0 HB ILE C 56 -1.908 1.435 5.141 1.00 0.00 H new ATOM 0 HG12 ILE C 56 -3.179 -1.248 5.791 1.00 0.00 H new ATOM 0 HG13 ILE C 56 -3.877 0.298 6.233 1.00 0.00 H new ATOM 0 HG21 ILE C 56 -1.341 -0.347 3.595 1.00 0.00 H new ATOM 0 HG22 ILE C 56 0.032 0.081 4.642 1.00 0.00 H new ATOM 0 HG23 ILE C 56 -0.903 -1.399 4.961 1.00 0.00 H new ATOM 0 HD11 ILE C 56 -4.985 -0.643 4.294 1.00 0.00 H new ATOM 0 HD12 ILE C 56 -4.148 0.868 3.862 1.00 0.00 H new ATOM 0 HD13 ILE C 56 -3.439 -0.702 3.414 1.00 0.00 H new ATOM 733 N ALA C 57 0.739 1.588 7.411 1.00 0.00 N ATOM 734 CA ALA C 57 2.125 1.638 7.820 1.00 0.00 C ATOM 735 C ALA C 57 2.397 1.012 9.175 1.00 0.00 C ATOM 736 O ALA C 57 3.517 0.637 9.462 1.00 0.00 O ATOM 737 CB ALA C 57 2.627 3.070 7.719 1.00 0.00 C ATOM 0 H ALA C 57 0.306 2.506 7.313 1.00 0.00 H new ATOM 0 HA ALA C 57 2.693 1.012 7.132 1.00 0.00 H new ATOM 0 HB1 ALA C 57 3.672 3.112 8.027 1.00 0.00 H new ATOM 0 HB2 ALA C 57 2.538 3.415 6.689 1.00 0.00 H new ATOM 0 HB3 ALA C 57 2.031 3.711 8.369 1.00 0.00 H new ATOM 743 N ALA C 58 1.366 0.841 9.977 1.00 0.00 N ATOM 744 CA ALA C 58 1.353 0.119 11.227 1.00 0.00 C ATOM 745 C ALA C 58 1.005 -1.345 11.065 1.00 0.00 C ATOM 746 O ALA C 58 1.628 -2.183 11.689 1.00 0.00 O ATOM 747 CB ALA C 58 0.450 0.804 12.229 1.00 0.00 C ATOM 0 H ALA C 58 0.451 1.232 9.754 1.00 0.00 H new ATOM 0 HA ALA C 58 2.372 0.137 11.614 1.00 0.00 H new ATOM 0 HB1 ALA C 58 0.454 0.244 13.164 1.00 0.00 H new ATOM 0 HB2 ALA C 58 0.810 1.817 12.410 1.00 0.00 H new ATOM 0 HB3 ALA C 58 -0.565 0.845 11.835 1.00 0.00 H new ATOM 753 N ILE C 59 0.097 -1.687 10.159 1.00 0.00 N ATOM 754 CA ILE C 59 -0.231 -3.027 9.726 1.00 0.00 C ATOM 755 C ILE C 59 0.945 -3.682 9.028 1.00 0.00 C ATOM 756 O ILE C 59 1.216 -4.860 9.224 1.00 0.00 O ATOM 757 CB ILE C 59 -1.499 -3.053 8.894 1.00 0.00 C ATOM 758 CG1 ILE C 59 -2.699 -2.735 9.769 1.00 0.00 C ATOM 759 CG2 ILE C 59 -1.750 -4.329 8.111 1.00 0.00 C ATOM 760 CD1 ILE C 59 -3.835 -2.064 9.022 1.00 0.00 C ATOM 0 H ILE C 59 -0.464 -0.983 9.679 1.00 0.00 H new ATOM 0 HA ILE C 59 -0.439 -3.625 10.613 1.00 0.00 H new ATOM 0 HB ILE C 59 -1.350 -2.286 8.134 1.00 0.00 H new ATOM 0 HG12 ILE C 59 -3.066 -3.658 10.218 1.00 0.00 H new ATOM 0 HG13 ILE C 59 -2.381 -2.088 10.586 1.00 0.00 H new ATOM 0 HG21 ILE C 59 -2.682 -4.236 7.554 1.00 0.00 H new ATOM 0 HG22 ILE C 59 -0.927 -4.497 7.416 1.00 0.00 H new ATOM 0 HG23 ILE C 59 -1.821 -5.171 8.800 1.00 0.00 H new ATOM 0 HD11 ILE C 59 -4.657 -1.867 9.710 1.00 0.00 H new ATOM 0 HD12 ILE C 59 -3.485 -1.124 8.596 1.00 0.00 H new ATOM 0 HD13 ILE C 59 -4.181 -2.718 8.222 1.00 0.00 H new ATOM 772 N ILE C 60 1.756 -2.944 8.272 1.00 0.00 N ATOM 773 CA ILE C 60 3.001 -3.381 7.681 1.00 0.00 C ATOM 774 C ILE C 60 3.970 -3.887 8.733 1.00 0.00 C ATOM 775 O ILE C 60 4.484 -4.988 8.605 1.00 0.00 O ATOM 776 CB ILE C 60 3.550 -2.231 6.850 1.00 0.00 C ATOM 777 CG1 ILE C 60 2.739 -2.203 5.570 1.00 0.00 C ATOM 778 CG2 ILE C 60 5.028 -2.349 6.520 1.00 0.00 C ATOM 779 CD1 ILE C 60 3.149 -1.197 4.513 1.00 0.00 C ATOM 0 H ILE C 60 1.542 -1.972 8.048 1.00 0.00 H new ATOM 0 HA ILE C 60 2.838 -4.236 7.025 1.00 0.00 H new ATOM 0 HB ILE C 60 3.463 -1.313 7.431 1.00 0.00 H new ATOM 0 HG12 ILE C 60 2.777 -3.197 5.124 1.00 0.00 H new ATOM 0 HG13 ILE C 60 1.699 -2.012 5.833 1.00 0.00 H new ATOM 0 HG21 ILE C 60 5.338 -1.489 5.926 1.00 0.00 H new ATOM 0 HG22 ILE C 60 5.606 -2.379 7.444 1.00 0.00 H new ATOM 0 HG23 ILE C 60 5.202 -3.264 5.953 1.00 0.00 H new ATOM 0 HD11 ILE C 60 2.487 -1.284 3.652 1.00 0.00 H new ATOM 0 HD12 ILE C 60 3.080 -0.190 4.923 1.00 0.00 H new ATOM 0 HD13 ILE C 60 4.175 -1.393 4.203 1.00 0.00 H new ATOM 791 N LYS C 61 4.199 -3.053 9.745 1.00 0.00 N ATOM 792 CA LYS C 61 5.018 -3.334 10.895 1.00 0.00 C ATOM 793 C LYS C 61 4.540 -4.532 11.691 1.00 0.00 C ATOM 794 O LYS C 61 5.345 -5.337 12.087 1.00 0.00 O ATOM 795 CB LYS C 61 5.048 -2.085 11.762 1.00 0.00 C ATOM 796 CG LYS C 61 5.981 -1.041 11.196 1.00 0.00 C ATOM 797 CD LYS C 61 5.925 0.227 12.020 1.00 0.00 C ATOM 798 CE LYS C 61 6.738 1.342 11.430 1.00 0.00 C ATOM 799 NZ LYS C 61 6.119 1.913 10.265 1.00 0.00 N ATOM 0 H LYS C 61 3.792 -2.118 9.775 1.00 0.00 H new ATOM 0 HA LYS C 61 6.019 -3.596 10.552 1.00 0.00 H new ATOM 0 HB2 LYS C 61 4.043 -1.671 11.841 1.00 0.00 H new ATOM 0 HB3 LYS C 61 5.365 -2.349 12.771 1.00 0.00 H new ATOM 0 HG2 LYS C 61 7.000 -1.427 11.181 1.00 0.00 H new ATOM 0 HG3 LYS C 61 5.708 -0.823 10.164 1.00 0.00 H new ATOM 0 HD2 LYS C 61 4.888 0.549 12.112 1.00 0.00 H new ATOM 0 HD3 LYS C 61 6.284 0.016 13.027 1.00 0.00 H new ATOM 0 HE2 LYS C 61 6.882 2.120 12.180 1.00 0.00 H new ATOM 0 HE3 LYS C 61 7.727 0.967 11.166 1.00 0.00 H new ATOM 0 HZ1 LYS C 61 6.767 1.836 9.455 1.00 0.00 H new ATOM 0 HZ2 LYS C 61 5.238 1.401 10.054 1.00 0.00 H new ATOM 0 HZ3 LYS C 61 5.903 2.915 10.442 1.00 0.00 H new ATOM 813 N ALA C 62 3.238 -4.721 11.836 1.00 0.00 N ATOM 814 CA ALA C 62 2.619 -5.850 12.484 1.00 0.00 C ATOM 815 C ALA C 62 2.630 -7.116 11.649 1.00 0.00 C ATOM 816 O ALA C 62 2.780 -8.198 12.158 1.00 0.00 O ATOM 817 CB ALA C 62 1.219 -5.525 12.947 1.00 0.00 C ATOM 0 H ALA C 62 2.554 -4.051 11.483 1.00 0.00 H new ATOM 0 HA ALA C 62 3.237 -6.056 13.358 1.00 0.00 H new ATOM 0 HB1 ALA C 62 0.784 -6.399 13.431 1.00 0.00 H new ATOM 0 HB2 ALA C 62 1.253 -4.698 13.656 1.00 0.00 H new ATOM 0 HB3 ALA C 62 0.608 -5.243 12.089 1.00 0.00 H new ATOM 823 N GLY C 63 2.482 -6.984 10.354 1.00 0.00 N ATOM 824 CA GLY C 63 2.480 -8.041 9.370 1.00 0.00 C ATOM 825 C GLY C 63 3.845 -8.624 9.093 1.00 0.00 C ATOM 826 O GLY C 63 3.944 -9.755 8.662 1.00 0.00 O ATOM 0 H GLY C 63 2.350 -6.067 9.928 1.00 0.00 H new ATOM 0 HA2 GLY C 63 1.818 -8.838 9.709 1.00 0.00 H new ATOM 0 HA3 GLY C 63 2.065 -7.656 8.439 1.00 0.00 H new ATOM 830 N GLY C 64 4.908 -7.873 9.309 1.00 0.00 N ATOM 831 CA GLY C 64 6.257 -8.308 9.116 1.00 0.00 C ATOM 832 C GLY C 64 6.676 -8.404 7.666 1.00 0.00 C ATOM 833 O GLY C 64 7.263 -9.390 7.256 1.00 0.00 O ATOM 0 H GLY C 64 4.841 -6.909 9.636 1.00 0.00 H new ATOM 0 HA2 GLY C 64 6.926 -7.619 9.631 1.00 0.00 H new ATOM 0 HA3 GLY C 64 6.383 -9.284 9.584 1.00 0.00 H new ATOM 837 N TYR C 65 6.311 -7.444 6.820 1.00 0.00 N ATOM 838 CA TYR C 65 6.676 -7.315 5.435 1.00 0.00 C ATOM 839 C TYR C 65 8.151 -7.113 5.226 1.00 0.00 C ATOM 840 O TYR C 65 8.670 -7.416 4.205 1.00 0.00 O ATOM 841 CB TYR C 65 5.903 -6.119 4.911 1.00 0.00 C ATOM 842 CG TYR C 65 4.570 -6.428 4.289 1.00 0.00 C ATOM 843 CD1 TYR C 65 4.407 -7.236 3.181 1.00 0.00 C ATOM 844 CD2 TYR C 65 3.472 -5.741 4.781 1.00 0.00 C ATOM 845 CE1 TYR C 65 3.147 -7.377 2.599 1.00 0.00 C ATOM 846 CE2 TYR C 65 2.220 -5.830 4.182 1.00 0.00 C ATOM 847 CZ TYR C 65 2.045 -6.672 3.082 1.00 0.00 C ATOM 848 OH TYR C 65 0.810 -6.849 2.567 1.00 0.00 O ATOM 0 H TYR C 65 5.704 -6.682 7.122 1.00 0.00 H new ATOM 0 HA TYR C 65 6.435 -8.237 4.905 1.00 0.00 H new ATOM 0 HB2 TYR C 65 5.747 -5.421 5.734 1.00 0.00 H new ATOM 0 HB3 TYR C 65 6.519 -5.607 4.172 1.00 0.00 H new ATOM 0 HD1 TYR C 65 5.255 -7.759 2.765 1.00 0.00 H new ATOM 0 HD2 TYR C 65 3.592 -5.118 5.655 1.00 0.00 H new ATOM 0 HE1 TYR C 65 3.023 -8.044 1.759 1.00 0.00 H new ATOM 0 HE2 TYR C 65 1.391 -5.253 4.564 1.00 0.00 H new ATOM 0 HH TYR C 65 0.305 -7.469 3.134 1.00 0.00 H new HETATM 858 N NH2 C 66 8.869 -6.609 6.158 1.00 0.00 N TER 861 NH2 C 66 HETATM 862 C ACE D 67 6.859 -11.385 3.643 1.00 0.00 C HETATM 863 O ACE D 67 6.701 -10.292 3.159 1.00 0.00 O HETATM 864 CH3 ACE D 67 8.099 -11.697 4.421 1.00 0.00 C HETATM 0 H1 ACE D 67 7.829 -11.977 5.439 1.00 0.00 H new HETATM 0 H2 ACE D 67 8.629 -12.523 3.946 1.00 0.00 H new HETATM 0 H3 ACE D 67 8.744 -10.819 4.445 1.00 0.00 H new ATOM 868 N ALA D 68 5.957 -12.338 3.551 1.00 0.00 N ATOM 869 CA ALA D 68 4.714 -12.241 2.841 1.00 0.00 C ATOM 870 C ALA D 68 3.536 -12.840 3.578 1.00 0.00 C ATOM 871 O ALA D 68 2.493 -13.073 2.990 1.00 0.00 O ATOM 872 CB ALA D 68 4.906 -12.813 1.457 1.00 0.00 C ATOM 0 H ALA D 68 6.084 -13.247 3.996 1.00 0.00 H new ATOM 0 HA ALA D 68 4.445 -11.188 2.759 1.00 0.00 H new ATOM 0 HB1 ALA D 68 3.970 -12.747 0.903 1.00 0.00 H new ATOM 0 HB2 ALA D 68 5.678 -12.248 0.934 1.00 0.00 H new ATOM 0 HB3 ALA D 68 5.209 -13.857 1.534 1.00 0.00 H new ATOM 878 N LYS D 69 3.631 -13.008 4.889 1.00 0.00 N ATOM 879 CA LYS D 69 2.527 -13.318 5.763 1.00 0.00 C ATOM 880 C LYS D 69 1.430 -12.276 5.689 1.00 0.00 C ATOM 881 O LYS D 69 0.275 -12.589 5.545 1.00 0.00 O ATOM 882 CB LYS D 69 3.034 -13.325 7.186 1.00 0.00 C ATOM 883 CG LYS D 69 4.083 -14.349 7.541 1.00 0.00 C ATOM 884 CD LYS D 69 4.480 -14.396 8.976 1.00 0.00 C ATOM 885 CE LYS D 69 5.183 -13.171 9.404 1.00 0.00 C ATOM 886 NZ LYS D 69 5.689 -13.254 10.710 1.00 0.00 N ATOM 0 H LYS D 69 4.518 -12.927 5.385 1.00 0.00 H new ATOM 0 HA LYS D 69 2.122 -14.282 5.455 1.00 0.00 H new ATOM 0 HB2 LYS D 69 3.439 -12.337 7.405 1.00 0.00 H new ATOM 0 HB3 LYS D 69 2.180 -13.473 7.848 1.00 0.00 H new ATOM 0 HG2 LYS D 69 3.716 -15.334 7.252 1.00 0.00 H new ATOM 0 HG3 LYS D 69 4.973 -14.153 6.943 1.00 0.00 H new ATOM 0 HD2 LYS D 69 3.592 -14.536 9.592 1.00 0.00 H new ATOM 0 HD3 LYS D 69 5.124 -15.259 9.144 1.00 0.00 H new ATOM 0 HE2 LYS D 69 6.004 -12.971 8.715 1.00 0.00 H new ATOM 0 HE3 LYS D 69 4.499 -12.325 9.339 1.00 0.00 H new ATOM 0 HZ1 LYS D 69 6.171 -12.365 10.953 1.00 0.00 H new ATOM 0 HZ2 LYS D 69 4.907 -13.417 11.376 1.00 0.00 H new ATOM 0 HZ3 LYS D 69 6.365 -14.042 10.771 1.00 0.00 H new ATOM 900 N ALA D 70 1.792 -11.006 5.676 1.00 0.00 N ATOM 901 CA ALA D 70 0.952 -9.832 5.610 1.00 0.00 C ATOM 902 C ALA D 70 0.197 -9.672 4.308 1.00 0.00 C ATOM 903 O ALA D 70 -0.607 -8.765 4.153 1.00 0.00 O ATOM 904 CB ALA D 70 1.876 -8.648 5.818 1.00 0.00 C ATOM 0 H ALA D 70 2.779 -10.750 5.715 1.00 0.00 H new ATOM 0 HA ALA D 70 0.175 -9.915 6.370 1.00 0.00 H new ATOM 0 HB1 ALA D 70 1.298 -7.724 5.779 1.00 0.00 H new ATOM 0 HB2 ALA D 70 2.361 -8.732 6.790 1.00 0.00 H new ATOM 0 HB3 ALA D 70 2.634 -8.636 5.034 1.00 0.00 H new ATOM 910 N ALA D 71 0.516 -10.495 3.322 1.00 0.00 N ATOM 911 CA ALA D 71 0.298 -10.248 1.914 1.00 0.00 C ATOM 912 C ALA D 71 -1.038 -10.686 1.346 1.00 0.00 C ATOM 913 O ALA D 71 -1.207 -10.673 0.133 1.00 0.00 O ATOM 914 CB ALA D 71 1.495 -10.745 1.122 1.00 0.00 C ATOM 0 H ALA D 71 0.956 -11.398 3.496 1.00 0.00 H new ATOM 0 HA ALA D 71 0.219 -9.166 1.807 1.00 0.00 H new ATOM 0 HB1 ALA D 71 1.331 -10.559 0.060 1.00 0.00 H new ATOM 0 HB2 ALA D 71 2.392 -10.218 1.449 1.00 0.00 H new ATOM 0 HB3 ALA D 71 1.622 -11.815 1.288 1.00 0.00 H new ATOM 920 N ALA D 72 -1.994 -11.027 2.196 1.00 0.00 N ATOM 921 CA ALA D 72 -3.406 -10.936 1.910 1.00 0.00 C ATOM 922 C ALA D 72 -3.988 -9.818 2.753 1.00 0.00 C ATOM 923 O ALA D 72 -4.512 -8.846 2.242 1.00 0.00 O ATOM 924 CB ALA D 72 -4.071 -12.296 2.054 1.00 0.00 C ATOM 0 H ALA D 72 -1.796 -11.385 3.130 1.00 0.00 H new ATOM 0 HA ALA D 72 -3.598 -10.667 0.871 1.00 0.00 H new ATOM 0 HB1 ALA D 72 -5.135 -12.206 1.834 1.00 0.00 H new ATOM 0 HB2 ALA D 72 -3.615 -13.000 1.358 1.00 0.00 H new ATOM 0 HB3 ALA D 72 -3.941 -12.659 3.074 1.00 0.00 H new ATOM 930 N ALA D 73 -3.880 -9.860 4.073 1.00 0.00 N ATOM 931 CA ALA D 73 -4.598 -9.051 5.027 1.00 0.00 C ATOM 932 C ALA D 73 -4.442 -7.556 4.833 1.00 0.00 C ATOM 933 O ALA D 73 -5.431 -6.852 4.898 1.00 0.00 O ATOM 934 CB ALA D 73 -4.109 -9.456 6.394 1.00 0.00 C ATOM 0 H ALA D 73 -3.240 -10.510 4.531 1.00 0.00 H new ATOM 0 HA ALA D 73 -5.664 -9.232 4.892 1.00 0.00 H new ATOM 0 HB1 ALA D 73 -4.625 -8.869 7.154 1.00 0.00 H new ATOM 0 HB2 ALA D 73 -4.312 -10.515 6.554 1.00 0.00 H new ATOM 0 HB3 ALA D 73 -3.036 -9.277 6.464 1.00 0.00 H new ATOM 940 N ALA D 74 -3.235 -7.078 4.569 1.00 0.00 N ATOM 941 CA ALA D 74 -3.026 -5.665 4.350 1.00 0.00 C ATOM 942 C ALA D 74 -3.427 -5.238 2.953 1.00 0.00 C ATOM 943 O ALA D 74 -3.873 -4.129 2.733 1.00 0.00 O ATOM 944 CB ALA D 74 -1.569 -5.319 4.596 1.00 0.00 C ATOM 0 H ALA D 74 -2.393 -7.649 4.503 1.00 0.00 H new ATOM 0 HA ALA D 74 -3.661 -5.125 5.052 1.00 0.00 H new ATOM 0 HB1 ALA D 74 -1.415 -4.253 4.430 1.00 0.00 H new ATOM 0 HB2 ALA D 74 -1.304 -5.568 5.624 1.00 0.00 H new ATOM 0 HB3 ALA D 74 -0.939 -5.887 3.911 1.00 0.00 H new ATOM 950 N ILE D 75 -3.254 -6.117 1.972 1.00 0.00 N ATOM 951 CA ILE D 75 -3.604 -5.890 0.589 1.00 0.00 C ATOM 952 C ILE D 75 -5.109 -5.831 0.396 1.00 0.00 C ATOM 953 O ILE D 75 -5.622 -5.012 -0.350 1.00 0.00 O ATOM 954 CB ILE D 75 -3.051 -7.011 -0.275 1.00 0.00 C ATOM 955 CG1 ILE D 75 -1.561 -7.220 -0.056 1.00 0.00 C ATOM 956 CG2 ILE D 75 -3.409 -6.804 -1.735 1.00 0.00 C ATOM 957 CD1 ILE D 75 -0.724 -5.991 -0.335 1.00 0.00 C ATOM 0 H ILE D 75 -2.850 -7.040 2.132 1.00 0.00 H new ATOM 0 HA ILE D 75 -3.173 -4.932 0.296 1.00 0.00 H new ATOM 0 HB ILE D 75 -3.530 -7.939 0.039 1.00 0.00 H new ATOM 0 HG12 ILE D 75 -1.395 -7.535 0.974 1.00 0.00 H new ATOM 0 HG13 ILE D 75 -1.220 -8.033 -0.696 1.00 0.00 H new ATOM 0 HG21 ILE D 75 -3.000 -7.621 -2.329 1.00 0.00 H new ATOM 0 HG22 ILE D 75 -4.493 -6.783 -1.844 1.00 0.00 H new ATOM 0 HG23 ILE D 75 -2.991 -5.859 -2.082 1.00 0.00 H new ATOM 0 HD11 ILE D 75 0.327 -6.218 -0.157 1.00 0.00 H new ATOM 0 HD12 ILE D 75 -0.858 -5.687 -1.373 1.00 0.00 H new ATOM 0 HD13 ILE D 75 -1.037 -5.181 0.324 1.00 0.00 H new ATOM 969 N LYS D 76 -5.816 -6.692 1.119 1.00 0.00 N ATOM 970 CA LYS D 76 -7.249 -6.846 1.043 1.00 0.00 C ATOM 971 C LYS D 76 -7.983 -5.678 1.668 1.00 0.00 C ATOM 972 O LYS D 76 -9.023 -5.306 1.158 1.00 0.00 O ATOM 973 CB LYS D 76 -7.588 -8.150 1.747 1.00 0.00 C ATOM 974 CG LYS D 76 -7.414 -9.358 0.855 1.00 0.00 C ATOM 975 CD LYS D 76 -7.662 -10.640 1.598 1.00 0.00 C ATOM 976 CE LYS D 76 -9.123 -10.788 1.943 1.00 0.00 C ATOM 977 NZ LYS D 76 -9.376 -12.046 2.582 1.00 0.00 N ATOM 0 H LYS D 76 -5.384 -7.321 1.796 1.00 0.00 H new ATOM 0 HA LYS D 76 -7.569 -6.869 0.001 1.00 0.00 H new ATOM 0 HB2 LYS D 76 -6.953 -8.259 2.627 1.00 0.00 H new ATOM 0 HB3 LYS D 76 -8.618 -8.110 2.100 1.00 0.00 H new ATOM 0 HG2 LYS D 76 -8.100 -9.288 0.011 1.00 0.00 H new ATOM 0 HG3 LYS D 76 -6.404 -9.365 0.445 1.00 0.00 H new ATOM 0 HD2 LYS D 76 -7.340 -11.486 0.990 1.00 0.00 H new ATOM 0 HD3 LYS D 76 -7.065 -10.658 2.510 1.00 0.00 H new ATOM 0 HE2 LYS D 76 -9.429 -9.974 2.600 1.00 0.00 H new ATOM 0 HE3 LYS D 76 -9.724 -10.709 1.037 1.00 0.00 H new ATOM 0 HZ1 LYS D 76 -10.388 -12.123 2.809 1.00 0.00 H new ATOM 0 HZ2 LYS D 76 -9.105 -12.821 1.943 1.00 0.00 H new ATOM 0 HZ3 LYS D 76 -8.819 -12.109 3.458 1.00 0.00 H new ATOM 991 N ALA D 77 -7.355 -5.076 2.674 1.00 0.00 N ATOM 992 CA ALA D 77 -7.649 -3.732 3.104 1.00 0.00 C ATOM 993 C ALA D 77 -7.445 -2.732 1.980 1.00 0.00 C ATOM 994 O ALA D 77 -8.405 -2.109 1.547 1.00 0.00 O ATOM 995 CB ALA D 77 -6.852 -3.474 4.372 1.00 0.00 C ATOM 0 H ALA D 77 -6.617 -5.525 3.216 1.00 0.00 H new ATOM 0 HA ALA D 77 -8.702 -3.605 3.353 1.00 0.00 H new ATOM 0 HB1 ALA D 77 -7.050 -2.463 4.727 1.00 0.00 H new ATOM 0 HB2 ALA D 77 -7.145 -4.192 5.138 1.00 0.00 H new ATOM 0 HB3 ALA D 77 -5.788 -3.582 4.161 1.00 0.00 H new ATOM 1001 N ILE D 78 -6.228 -2.594 1.461 1.00 0.00 N ATOM 1002 CA ILE D 78 -5.860 -1.513 0.576 1.00 0.00 C ATOM 1003 C ILE D 78 -6.566 -1.614 -0.764 1.00 0.00 C ATOM 1004 O ILE D 78 -7.100 -0.612 -1.221 1.00 0.00 O ATOM 1005 CB ILE D 78 -4.348 -1.359 0.500 1.00 0.00 C ATOM 1006 CG1 ILE D 78 -4.028 0.118 0.431 1.00 0.00 C ATOM 1007 CG2 ILE D 78 -3.647 -2.112 -0.610 1.00 0.00 C ATOM 1008 CD1 ILE D 78 -2.565 0.488 0.419 1.00 0.00 C ATOM 0 H ILE D 78 -5.465 -3.244 1.651 1.00 0.00 H new ATOM 0 HA ILE D 78 -6.220 -0.574 0.997 1.00 0.00 H new ATOM 0 HB ILE D 78 -3.953 -1.826 1.402 1.00 0.00 H new ATOM 0 HG12 ILE D 78 -4.491 0.526 -0.467 1.00 0.00 H new ATOM 0 HG13 ILE D 78 -4.498 0.609 1.283 1.00 0.00 H new ATOM 0 HG21 ILE D 78 -2.575 -1.922 -0.558 1.00 0.00 H new ATOM 0 HG22 ILE D 78 -3.832 -3.180 -0.498 1.00 0.00 H new ATOM 0 HG23 ILE D 78 -4.029 -1.777 -1.574 1.00 0.00 H new ATOM 0 HD11 ILE D 78 -2.464 1.572 0.368 1.00 0.00 H new ATOM 0 HD12 ILE D 78 -2.090 0.122 1.329 1.00 0.00 H new ATOM 0 HD13 ILE D 78 -2.083 0.037 -0.449 1.00 0.00 H new ATOM 1020 N ALA D 79 -6.698 -2.789 -1.378 1.00 0.00 N ATOM 1021 CA ALA D 79 -7.338 -2.870 -2.671 1.00 0.00 C ATOM 1022 C ALA D 79 -8.816 -2.524 -2.656 1.00 0.00 C ATOM 1023 O ALA D 79 -9.343 -2.141 -3.684 1.00 0.00 O ATOM 1024 CB ALA D 79 -7.061 -4.248 -3.251 1.00 0.00 C ATOM 0 H ALA D 79 -6.373 -3.679 -1.001 1.00 0.00 H new ATOM 0 HA ALA D 79 -6.909 -2.103 -3.316 1.00 0.00 H new ATOM 0 HB1 ALA D 79 -7.535 -4.333 -4.229 1.00 0.00 H new ATOM 0 HB2 ALA D 79 -5.985 -4.389 -3.356 1.00 0.00 H new ATOM 0 HB3 ALA D 79 -7.464 -5.011 -2.585 1.00 0.00 H new ATOM 1030 N ALA D 80 -9.449 -2.549 -1.486 1.00 0.00 N ATOM 1031 CA ALA D 80 -10.796 -2.076 -1.253 1.00 0.00 C ATOM 1032 C ALA D 80 -10.828 -0.598 -0.914 1.00 0.00 C ATOM 1033 O ALA D 80 -11.627 0.135 -1.466 1.00 0.00 O ATOM 1034 CB ALA D 80 -11.409 -2.941 -0.169 1.00 0.00 C ATOM 0 H ALA D 80 -9.011 -2.917 -0.642 1.00 0.00 H new ATOM 0 HA ALA D 80 -11.388 -2.166 -2.163 1.00 0.00 H new ATOM 0 HB1 ALA D 80 -12.428 -2.608 0.030 1.00 0.00 H new ATOM 0 HB2 ALA D 80 -11.425 -3.980 -0.498 1.00 0.00 H new ATOM 0 HB3 ALA D 80 -10.816 -2.858 0.742 1.00 0.00 H new ATOM 1040 N ILE D 81 -9.925 -0.151 -0.053 1.00 0.00 N ATOM 1041 CA ILE D 81 -9.744 1.220 0.366 1.00 0.00 C ATOM 1042 C ILE D 81 -9.307 2.079 -0.807 1.00 0.00 C ATOM 1043 O ILE D 81 -9.691 3.236 -0.891 1.00 0.00 O ATOM 1044 CB ILE D 81 -8.823 1.300 1.571 1.00 0.00 C ATOM 1045 CG1 ILE D 81 -9.398 0.590 2.790 1.00 0.00 C ATOM 1046 CG2 ILE D 81 -8.539 2.740 1.960 1.00 0.00 C ATOM 1047 CD1 ILE D 81 -8.393 0.214 3.863 1.00 0.00 C ATOM 0 H ILE D 81 -9.260 -0.781 0.396 1.00 0.00 H new ATOM 0 HA ILE D 81 -10.697 1.630 0.700 1.00 0.00 H new ATOM 0 HB ILE D 81 -7.902 0.803 1.267 1.00 0.00 H new ATOM 0 HG12 ILE D 81 -10.158 1.231 3.237 1.00 0.00 H new ATOM 0 HG13 ILE D 81 -9.903 -0.317 2.456 1.00 0.00 H new ATOM 0 HG21 ILE D 81 -7.877 2.759 2.826 1.00 0.00 H new ATOM 0 HG22 ILE D 81 -8.061 3.255 1.126 1.00 0.00 H new ATOM 0 HG23 ILE D 81 -9.475 3.241 2.208 1.00 0.00 H new ATOM 0 HD11 ILE D 81 -8.907 -0.285 4.684 1.00 0.00 H new ATOM 0 HD12 ILE D 81 -7.645 -0.457 3.442 1.00 0.00 H new ATOM 0 HD13 ILE D 81 -7.904 1.114 4.235 1.00 0.00 H new ATOM 1059 N ILE D 82 -8.582 1.519 -1.773 1.00 0.00 N ATOM 1060 CA ILE D 82 -8.233 2.190 -3.003 1.00 0.00 C ATOM 1061 C ILE D 82 -9.486 2.562 -3.777 1.00 0.00 C ATOM 1062 O ILE D 82 -9.666 3.714 -4.143 1.00 0.00 O ATOM 1063 CB ILE D 82 -7.255 1.366 -3.828 1.00 0.00 C ATOM 1064 CG1 ILE D 82 -5.874 1.383 -3.199 1.00 0.00 C ATOM 1065 CG2 ILE D 82 -7.201 1.861 -5.266 1.00 0.00 C ATOM 1066 CD1 ILE D 82 -4.859 0.445 -3.791 1.00 0.00 C ATOM 0 H ILE D 82 -8.218 0.568 -1.712 1.00 0.00 H new ATOM 0 HA ILE D 82 -7.716 3.118 -2.759 1.00 0.00 H new ATOM 0 HB ILE D 82 -7.610 0.336 -3.842 1.00 0.00 H new ATOM 0 HG12 ILE D 82 -5.481 2.398 -3.265 1.00 0.00 H new ATOM 0 HG13 ILE D 82 -5.978 1.149 -2.139 1.00 0.00 H new ATOM 0 HG21 ILE D 82 -6.495 1.255 -5.833 1.00 0.00 H new ATOM 0 HG22 ILE D 82 -8.191 1.781 -5.716 1.00 0.00 H new ATOM 0 HG23 ILE D 82 -6.879 2.902 -5.281 1.00 0.00 H new ATOM 0 HD11 ILE D 82 -3.914 0.549 -3.258 1.00 0.00 H new ATOM 0 HD12 ILE D 82 -5.216 -0.581 -3.701 1.00 0.00 H new ATOM 0 HD13 ILE D 82 -4.711 0.686 -4.844 1.00 0.00 H new ATOM 1078 N LYS D 83 -10.356 1.587 -4.003 1.00 0.00 N ATOM 1079 CA LYS D 83 -11.646 1.785 -4.620 1.00 0.00 C ATOM 1080 C LYS D 83 -12.575 2.699 -3.845 1.00 0.00 C ATOM 1081 O LYS D 83 -13.200 3.566 -4.424 1.00 0.00 O ATOM 1082 CB LYS D 83 -12.290 0.437 -4.904 1.00 0.00 C ATOM 1083 CG LYS D 83 -13.476 0.455 -5.840 1.00 0.00 C ATOM 1084 CD LYS D 83 -13.862 -0.930 -6.307 1.00 0.00 C ATOM 1085 CE LYS D 83 -14.388 -1.827 -5.223 1.00 0.00 C ATOM 1086 NZ LYS D 83 -15.672 -1.627 -4.861 1.00 0.00 N ATOM 0 H LYS D 83 -10.173 0.615 -3.754 1.00 0.00 H new ATOM 0 HA LYS D 83 -11.468 2.310 -5.558 1.00 0.00 H new ATOM 0 HB2 LYS D 83 -11.532 -0.225 -5.322 1.00 0.00 H new ATOM 0 HB3 LYS D 83 -12.606 0.001 -3.957 1.00 0.00 H new ATOM 0 HG2 LYS D 83 -14.326 0.916 -5.337 1.00 0.00 H new ATOM 0 HG3 LYS D 83 -13.243 1.076 -6.705 1.00 0.00 H new ATOM 0 HD2 LYS D 83 -14.619 -0.840 -7.086 1.00 0.00 H new ATOM 0 HD3 LYS D 83 -12.991 -1.402 -6.762 1.00 0.00 H new ATOM 0 HE2 LYS D 83 -14.280 -2.861 -5.550 1.00 0.00 H new ATOM 0 HE3 LYS D 83 -13.759 -1.705 -4.341 1.00 0.00 H new ATOM 0 HZ1 LYS D 83 -15.929 -2.298 -4.109 1.00 0.00 H new ATOM 0 HZ2 LYS D 83 -15.787 -0.654 -4.511 1.00 0.00 H new ATOM 0 HZ3 LYS D 83 -16.292 -1.775 -5.683 1.00 0.00 H new ATOM 1100 N ALA D 84 -12.678 2.505 -2.539 1.00 0.00 N ATOM 1101 CA ALA D 84 -13.559 3.238 -1.666 1.00 0.00 C ATOM 1102 C ALA D 84 -13.142 4.661 -1.397 1.00 0.00 C ATOM 1103 O ALA D 84 -13.966 5.564 -1.411 1.00 0.00 O ATOM 1104 CB ALA D 84 -13.733 2.479 -0.369 1.00 0.00 C ATOM 0 H ALA D 84 -12.125 1.803 -2.047 1.00 0.00 H new ATOM 0 HA ALA D 84 -14.509 3.319 -2.194 1.00 0.00 H new ATOM 0 HB1 ALA D 84 -14.400 3.034 0.291 1.00 0.00 H new ATOM 0 HB2 ALA D 84 -14.161 1.498 -0.576 1.00 0.00 H new ATOM 0 HB3 ALA D 84 -12.763 2.357 0.114 1.00 0.00 H new ATOM 1110 N GLY D 85 -11.839 4.842 -1.224 1.00 0.00 N ATOM 1111 CA GLY D 85 -11.140 6.081 -0.992 1.00 0.00 C ATOM 1112 C GLY D 85 -11.046 6.925 -2.245 1.00 0.00 C ATOM 1113 O GLY D 85 -11.098 8.132 -2.143 1.00 0.00 O ATOM 0 H GLY D 85 -11.196 4.050 -1.246 1.00 0.00 H new ATOM 0 HA2 GLY D 85 -11.652 6.645 -0.213 1.00 0.00 H new ATOM 0 HA3 GLY D 85 -10.137 5.867 -0.623 1.00 0.00 H new ATOM 1117 N GLY D 86 -10.885 6.295 -3.399 1.00 0.00 N ATOM 1118 CA GLY D 86 -10.797 6.936 -4.682 1.00 0.00 C ATOM 1119 C GLY D 86 -9.461 7.596 -4.956 1.00 0.00 C ATOM 1120 O GLY D 86 -9.419 8.765 -5.280 1.00 0.00 O ATOM 0 H GLY D 86 -10.810 5.279 -3.458 1.00 0.00 H new ATOM 0 HA2 GLY D 86 -10.990 6.197 -5.459 1.00 0.00 H new ATOM 0 HA3 GLY D 86 -11.583 7.688 -4.755 1.00 0.00 H new ATOM 1124 N TYR D 87 -8.363 6.870 -4.818 1.00 0.00 N ATOM 1125 CA TYR D 87 -7.040 7.330 -5.135 1.00 0.00 C ATOM 1126 C TYR D 87 -6.802 7.701 -6.579 1.00 0.00 C ATOM 1127 O TYR D 87 -6.019 8.532 -6.850 1.00 0.00 O ATOM 1128 CB TYR D 87 -6.047 6.264 -4.710 1.00 0.00 C ATOM 1129 CG TYR D 87 -5.685 6.188 -3.254 1.00 0.00 C ATOM 1130 CD1 TYR D 87 -5.069 7.223 -2.561 1.00 0.00 C ATOM 1131 CD2 TYR D 87 -5.867 4.956 -2.634 1.00 0.00 C ATOM 1132 CE1 TYR D 87 -4.597 6.976 -1.270 1.00 0.00 C ATOM 1133 CE2 TYR D 87 -5.445 4.700 -1.333 1.00 0.00 C ATOM 1134 CZ TYR D 87 -4.776 5.727 -0.660 1.00 0.00 C ATOM 1135 OH TYR D 87 -4.339 5.520 0.610 1.00 0.00 O ATOM 0 H TYR D 87 -8.380 5.912 -4.469 1.00 0.00 H new ATOM 0 HA TYR D 87 -6.909 8.263 -4.588 1.00 0.00 H new ATOM 0 HB2 TYR D 87 -6.448 5.295 -5.007 1.00 0.00 H new ATOM 0 HB3 TYR D 87 -5.128 6.416 -5.277 1.00 0.00 H new ATOM 0 HD1 TYR D 87 -4.958 8.198 -3.011 1.00 0.00 H new ATOM 0 HD2 TYR D 87 -6.356 4.166 -3.185 1.00 0.00 H new ATOM 0 HE1 TYR D 87 -4.085 7.761 -0.733 1.00 0.00 H new ATOM 0 HE2 TYR D 87 -5.627 3.746 -0.862 1.00 0.00 H new ATOM 0 HH TYR D 87 -4.934 5.979 1.239 1.00 0.00 H new HETATM 1145 N NH2 D 88 -7.445 7.143 -7.533 1.00 0.00 N TER 1148 NH2 D 88