USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=8 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+ -173:sc= -31.8! (180deg=-31.9!) USER MOD Single : A 21 TYR OH : rot 80:sc= 1.13 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 106:sc= 0.714 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 106:sc= 0.203 USER MOD Single : D 69 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0111) USER MOD Single : D 76 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0378) USER MOD Single : D 83 LYS NZ :NH3+ -135:sc= 0.903 (180deg=0.075) USER MOD Single : D 87 TYR OH : rot 106:sc= -0.135 USER MOD ----------------------------------------------------------------- ATOM 17 N LYS A 3 1.209 14.025 -0.671 1.00 0.00 N ATOM 18 CA LYS A 3 1.284 14.098 -2.107 1.00 0.00 C ATOM 19 C LYS A 3 1.786 12.850 -2.795 1.00 0.00 C ATOM 20 O LYS A 3 1.512 12.628 -3.964 1.00 0.00 O ATOM 21 CB LYS A 3 2.182 15.221 -2.561 1.00 0.00 C ATOM 22 CG LYS A 3 1.856 16.584 -2.053 1.00 0.00 C ATOM 23 CD LYS A 3 2.740 17.588 -2.641 1.00 0.00 C ATOM 24 CE LYS A 3 2.613 18.964 -2.119 1.00 0.00 C ATOM 25 NZ LYS A 3 3.505 19.882 -2.643 1.00 0.00 N ATOM 0 HA LYS A 3 0.244 14.255 -2.393 1.00 0.00 H new ATOM 0 HB2 LYS A 3 3.203 14.982 -2.264 1.00 0.00 H new ATOM 0 HB3 LYS A 3 2.166 15.251 -3.650 1.00 0.00 H new ATOM 0 HG2 LYS A 3 0.819 16.825 -2.288 1.00 0.00 H new ATOM 0 HG3 LYS A 3 1.950 16.603 -0.967 1.00 0.00 H new ATOM 0 HD2 LYS A 3 3.770 17.262 -2.497 1.00 0.00 H new ATOM 0 HD3 LYS A 3 2.561 17.613 -3.716 1.00 0.00 H new ATOM 0 HE2 LYS A 3 1.600 19.316 -2.313 1.00 0.00 H new ATOM 0 HE3 LYS A 3 2.739 18.937 -1.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 3.335 20.814 -2.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 4.478 19.578 -2.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 3.373 19.945 -3.673 1.00 0.00 H new ATOM 39 N ALA A 4 2.502 12.011 -2.054 1.00 0.00 N ATOM 40 CA ALA A 4 2.934 10.689 -2.404 1.00 0.00 C ATOM 41 C ALA A 4 1.813 9.741 -2.779 1.00 0.00 C ATOM 42 O ALA A 4 2.077 8.638 -3.235 1.00 0.00 O ATOM 43 CB ALA A 4 3.710 10.156 -1.222 1.00 0.00 C ATOM 0 H ALA A 4 2.814 12.273 -1.119 1.00 0.00 H new ATOM 0 HA ALA A 4 3.544 10.754 -3.305 1.00 0.00 H new ATOM 0 HB1 ALA A 4 4.061 9.148 -1.442 1.00 0.00 H new ATOM 0 HB2 ALA A 4 4.565 10.803 -1.026 1.00 0.00 H new ATOM 0 HB3 ALA A 4 3.065 10.132 -0.344 1.00 0.00 H new ATOM 49 N ALA A 5 0.569 10.171 -2.600 1.00 0.00 N ATOM 50 CA ALA A 5 -0.665 9.456 -2.826 1.00 0.00 C ATOM 51 C ALA A 5 -0.792 8.878 -4.225 1.00 0.00 C ATOM 52 O ALA A 5 -0.306 7.787 -4.493 1.00 0.00 O ATOM 53 CB ALA A 5 -1.854 10.254 -2.312 1.00 0.00 C ATOM 0 H ALA A 5 0.392 11.117 -2.262 1.00 0.00 H new ATOM 0 HA ALA A 5 -0.650 8.549 -2.221 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -2.773 9.696 -2.493 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -1.740 10.428 -1.242 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -1.902 11.211 -2.832 1.00 0.00 H new ATOM 59 N ALA A 6 -1.336 9.620 -5.186 1.00 0.00 N ATOM 60 CA ALA A 6 -1.503 9.140 -6.536 1.00 0.00 C ATOM 61 C ALA A 6 -0.230 9.239 -7.356 1.00 0.00 C ATOM 62 O ALA A 6 -0.246 9.503 -8.543 1.00 0.00 O ATOM 63 CB ALA A 6 -2.698 9.832 -7.170 1.00 0.00 C ATOM 0 H ALA A 6 -1.671 10.572 -5.040 1.00 0.00 H new ATOM 0 HA ALA A 6 -1.714 8.071 -6.509 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -2.828 9.472 -8.191 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -3.595 9.612 -6.591 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -2.530 10.909 -7.184 1.00 0.00 H new ATOM 69 N ALA A 7 0.905 9.005 -6.722 1.00 0.00 N ATOM 70 CA ALA A 7 2.251 8.806 -7.209 1.00 0.00 C ATOM 71 C ALA A 7 2.751 7.411 -6.884 1.00 0.00 C ATOM 72 O ALA A 7 3.338 6.785 -7.745 1.00 0.00 O ATOM 73 CB ALA A 7 3.171 9.852 -6.600 1.00 0.00 C ATOM 0 H ALA A 7 0.895 8.942 -5.704 1.00 0.00 H new ATOM 0 HA ALA A 7 2.247 8.913 -8.294 1.00 0.00 H new ATOM 0 HB1 ALA A 7 4.186 9.702 -6.967 1.00 0.00 H new ATOM 0 HB2 ALA A 7 2.827 10.847 -6.881 1.00 0.00 H new ATOM 0 HB3 ALA A 7 3.160 9.758 -5.514 1.00 0.00 H new ATOM 79 N ALA A 8 2.444 6.878 -5.714 1.00 0.00 N ATOM 80 CA ALA A 8 2.800 5.550 -5.272 1.00 0.00 C ATOM 81 C ALA A 8 1.626 4.600 -5.406 1.00 0.00 C ATOM 82 O ALA A 8 1.793 3.505 -5.902 1.00 0.00 O ATOM 83 CB ALA A 8 3.246 5.623 -3.823 1.00 0.00 C ATOM 0 H ALA A 8 1.911 7.392 -5.013 1.00 0.00 H new ATOM 0 HA ALA A 8 3.609 5.170 -5.896 1.00 0.00 H new ATOM 0 HB1 ALA A 8 3.518 4.626 -3.475 1.00 0.00 H new ATOM 0 HB2 ALA A 8 4.109 6.284 -3.741 1.00 0.00 H new ATOM 0 HB3 ALA A 8 2.432 6.011 -3.211 1.00 0.00 H new ATOM 89 N ILE A 9 0.431 5.004 -4.988 1.00 0.00 N ATOM 90 CA ILE A 9 -0.779 4.218 -5.075 1.00 0.00 C ATOM 91 C ILE A 9 -1.108 3.879 -6.519 1.00 0.00 C ATOM 92 O ILE A 9 -1.614 2.797 -6.770 1.00 0.00 O ATOM 93 CB ILE A 9 -1.963 4.928 -4.438 1.00 0.00 C ATOM 94 CG1 ILE A 9 -1.717 5.356 -3.004 1.00 0.00 C ATOM 95 CG2 ILE A 9 -3.269 4.151 -4.511 1.00 0.00 C ATOM 96 CD1 ILE A 9 -1.444 4.266 -2.046 1.00 0.00 C ATOM 0 H ILE A 9 0.281 5.920 -4.566 1.00 0.00 H new ATOM 0 HA ILE A 9 -0.594 3.296 -4.523 1.00 0.00 H new ATOM 0 HB ILE A 9 -2.069 5.822 -5.053 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -0.873 6.046 -2.990 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -2.588 5.911 -2.656 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -4.062 4.727 -4.034 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -3.528 3.972 -5.555 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -3.154 3.197 -3.996 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -1.283 4.686 -1.053 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -2.294 3.584 -2.019 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -0.553 3.722 -2.358 1.00 0.00 H new ATOM 108 N LYS A 10 -0.799 4.754 -7.469 1.00 0.00 N ATOM 109 CA LYS A 10 -1.030 4.499 -8.873 1.00 0.00 C ATOM 110 C LYS A 10 -0.332 3.234 -9.345 1.00 0.00 C ATOM 111 O LYS A 10 -0.958 2.293 -9.816 1.00 0.00 O ATOM 112 CB LYS A 10 -0.641 5.722 -9.690 1.00 0.00 C ATOM 113 CG LYS A 10 0.738 6.352 -9.617 1.00 0.00 C ATOM 114 CD LYS A 10 0.894 7.317 -10.775 1.00 0.00 C ATOM 115 CE LYS A 10 2.278 7.858 -10.903 1.00 0.00 C ATOM 116 NZ LYS A 10 2.556 8.138 -12.142 1.00 0.00 N ATOM 0 H LYS A 10 -0.379 5.664 -7.278 1.00 0.00 H new ATOM 0 HA LYS A 10 -2.094 4.319 -9.024 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -0.810 5.464 -10.735 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -1.355 6.506 -9.436 1.00 0.00 H new ATOM 0 HG2 LYS A 10 0.864 6.876 -8.669 1.00 0.00 H new ATOM 0 HG3 LYS A 10 1.508 5.582 -9.661 1.00 0.00 H new ATOM 0 HD2 LYS A 10 0.621 6.811 -11.701 1.00 0.00 H new ATOM 0 HD3 LYS A 10 0.197 8.145 -10.647 1.00 0.00 H new ATOM 0 HE2 LYS A 10 2.380 8.755 -10.292 1.00 0.00 H new ATOM 0 HE3 LYS A 10 2.994 7.130 -10.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 3.524 8.513 -12.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 2.481 7.275 -12.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 1.886 8.850 -12.496 1.00 0.00 H new ATOM 130 N ALA A 11 0.979 3.256 -9.120 1.00 0.00 N ATOM 131 CA ALA A 11 1.878 2.140 -9.265 1.00 0.00 C ATOM 132 C ALA A 11 1.386 0.926 -8.499 1.00 0.00 C ATOM 133 O ALA A 11 1.277 -0.138 -9.090 1.00 0.00 O ATOM 134 CB ALA A 11 3.300 2.524 -8.907 1.00 0.00 C ATOM 0 H ALA A 11 1.458 4.104 -8.816 1.00 0.00 H new ATOM 0 HA ALA A 11 1.891 1.855 -10.317 1.00 0.00 H new ATOM 0 HB1 ALA A 11 3.952 1.659 -9.027 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.637 3.326 -9.564 1.00 0.00 H new ATOM 0 HB3 ALA A 11 3.336 2.864 -7.872 1.00 0.00 H new ATOM 140 N ILE A 12 0.995 1.076 -7.236 1.00 0.00 N ATOM 141 CA ILE A 12 0.609 -0.014 -6.370 1.00 0.00 C ATOM 142 C ILE A 12 -0.687 -0.651 -6.836 1.00 0.00 C ATOM 143 O ILE A 12 -0.710 -1.861 -6.978 1.00 0.00 O ATOM 144 CB ILE A 12 0.638 0.347 -4.895 1.00 0.00 C ATOM 145 CG1 ILE A 12 1.638 -0.517 -4.165 1.00 0.00 C ATOM 146 CG2 ILE A 12 -0.684 0.302 -4.163 1.00 0.00 C ATOM 147 CD1 ILE A 12 1.358 -2.001 -4.090 1.00 0.00 C ATOM 0 H ILE A 12 0.939 1.988 -6.782 1.00 0.00 H new ATOM 0 HA ILE A 12 1.374 -0.785 -6.457 1.00 0.00 H new ATOM 0 HB ILE A 12 0.927 1.398 -4.891 1.00 0.00 H new ATOM 0 HG12 ILE A 12 2.609 -0.382 -4.641 1.00 0.00 H new ATOM 0 HG13 ILE A 12 1.727 -0.140 -3.146 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.532 0.579 -3.120 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.380 1.001 -4.626 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -1.094 -0.707 -4.214 1.00 0.00 H new ATOM 0 HD11 ILE A 12 2.158 -2.495 -3.538 1.00 0.00 H new ATOM 0 HD12 ILE A 12 0.409 -2.167 -3.580 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.305 -2.413 -5.098 1.00 0.00 H new ATOM 159 N ALA A 13 -1.713 0.088 -7.251 1.00 0.00 N ATOM 160 CA ALA A 13 -2.917 -0.528 -7.754 1.00 0.00 C ATOM 161 C ALA A 13 -2.729 -1.271 -9.062 1.00 0.00 C ATOM 162 O ALA A 13 -3.504 -2.155 -9.374 1.00 0.00 O ATOM 163 CB ALA A 13 -3.981 0.557 -7.798 1.00 0.00 C ATOM 0 H ALA A 13 -1.726 1.108 -7.245 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.235 -1.328 -7.086 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.914 0.137 -8.174 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.139 0.952 -6.795 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -3.654 1.361 -8.457 1.00 0.00 H new ATOM 169 N ALA A 14 -1.663 -0.991 -9.800 1.00 0.00 N ATOM 170 CA ALA A 14 -1.234 -1.750 -10.952 1.00 0.00 C ATOM 171 C ALA A 14 -0.391 -2.949 -10.573 1.00 0.00 C ATOM 172 O ALA A 14 -0.585 -4.035 -11.089 1.00 0.00 O ATOM 173 CB ALA A 14 -0.551 -0.799 -11.910 1.00 0.00 C ATOM 0 H ALA A 14 -1.055 -0.197 -9.599 1.00 0.00 H new ATOM 0 HA ALA A 14 -2.096 -2.189 -11.454 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -0.217 -1.347 -12.791 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -1.252 -0.021 -12.212 1.00 0.00 H new ATOM 0 HB3 ALA A 14 0.308 -0.343 -11.419 1.00 0.00 H new ATOM 179 N ILE A 15 0.543 -2.773 -9.643 1.00 0.00 N ATOM 180 CA ILE A 15 1.470 -3.765 -9.143 1.00 0.00 C ATOM 181 C ILE A 15 0.707 -4.802 -8.335 1.00 0.00 C ATOM 182 O ILE A 15 1.119 -5.951 -8.328 1.00 0.00 O ATOM 183 CB ILE A 15 2.563 -3.078 -8.337 1.00 0.00 C ATOM 184 CG1 ILE A 15 3.531 -2.322 -9.228 1.00 0.00 C ATOM 185 CG2 ILE A 15 3.353 -4.056 -7.483 1.00 0.00 C ATOM 186 CD1 ILE A 15 4.293 -1.243 -8.482 1.00 0.00 C ATOM 0 H ILE A 15 0.675 -1.868 -9.192 1.00 0.00 H new ATOM 0 HA ILE A 15 1.958 -4.288 -9.966 1.00 0.00 H new ATOM 0 HB ILE A 15 2.045 -2.376 -7.684 1.00 0.00 H new ATOM 0 HG12 ILE A 15 4.240 -3.025 -9.666 1.00 0.00 H new ATOM 0 HG13 ILE A 15 2.981 -1.869 -10.053 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.120 -3.517 -6.928 1.00 0.00 H new ATOM 0 HG22 ILE A 15 2.681 -4.553 -6.784 1.00 0.00 H new ATOM 0 HG23 ILE A 15 3.825 -4.800 -8.124 1.00 0.00 H new ATOM 0 HD11 ILE A 15 4.970 -0.735 -9.169 1.00 0.00 H new ATOM 0 HD12 ILE A 15 3.589 -0.522 -8.067 1.00 0.00 H new ATOM 0 HD13 ILE A 15 4.868 -1.696 -7.674 1.00 0.00 H new ATOM 198 N ILE A 16 -0.419 -4.481 -7.707 1.00 0.00 N ATOM 199 CA ILE A 16 -1.296 -5.454 -7.093 1.00 0.00 C ATOM 200 C ILE A 16 -1.743 -6.491 -8.105 1.00 0.00 C ATOM 201 O ILE A 16 -1.594 -7.682 -7.888 1.00 0.00 O ATOM 202 CB ILE A 16 -2.466 -4.741 -6.434 1.00 0.00 C ATOM 203 CG1 ILE A 16 -1.971 -4.062 -5.172 1.00 0.00 C ATOM 204 CG2 ILE A 16 -3.581 -5.707 -6.094 1.00 0.00 C ATOM 205 CD1 ILE A 16 -3.004 -3.285 -4.386 1.00 0.00 C ATOM 0 H ILE A 16 -0.747 -3.520 -7.612 1.00 0.00 H new ATOM 0 HA ILE A 16 -0.755 -5.994 -6.316 1.00 0.00 H new ATOM 0 HB ILE A 16 -2.868 -4.005 -7.130 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -1.543 -4.822 -4.519 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -1.163 -3.382 -5.442 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -4.402 -5.165 -5.624 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -3.938 -6.187 -7.006 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -3.208 -6.466 -5.407 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -2.536 -2.844 -3.506 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -3.418 -2.494 -5.012 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -3.804 -3.956 -4.073 1.00 0.00 H new ATOM 217 N LYS A 17 -2.271 -6.013 -9.230 1.00 0.00 N ATOM 218 CA LYS A 17 -2.708 -6.800 -10.357 1.00 0.00 C ATOM 219 C LYS A 17 -1.581 -7.531 -11.057 1.00 0.00 C ATOM 220 O LYS A 17 -1.731 -8.688 -11.396 1.00 0.00 O ATOM 221 CB LYS A 17 -3.454 -5.900 -11.328 1.00 0.00 C ATOM 222 CG LYS A 17 -4.905 -5.775 -10.914 1.00 0.00 C ATOM 223 CD LYS A 17 -5.708 -4.915 -11.853 1.00 0.00 C ATOM 224 CE LYS A 17 -7.166 -5.019 -11.589 1.00 0.00 C ATOM 225 NZ LYS A 17 -7.794 -4.302 -11.708 1.00 0.00 N ATOM 0 H LYS A 17 -2.408 -5.013 -9.377 1.00 0.00 H new ATOM 0 HA LYS A 17 -3.369 -7.579 -9.977 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -2.989 -4.915 -11.353 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -3.390 -6.308 -12.337 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.351 -6.768 -10.867 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.957 -5.354 -9.910 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -5.394 -3.876 -11.752 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -5.503 -5.211 -12.882 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -7.526 -5.841 -12.207 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -7.263 -5.335 -10.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -8.724 -4.592 -11.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -7.465 -3.463 -11.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -7.873 -4.074 -12.720 1.00 0.00 H new ATOM 239 N ALA A 18 -0.451 -6.872 -11.280 1.00 0.00 N ATOM 240 CA ALA A 18 0.642 -7.378 -12.073 1.00 0.00 C ATOM 241 C ALA A 18 1.582 -8.252 -11.283 1.00 0.00 C ATOM 242 O ALA A 18 2.150 -9.180 -11.808 1.00 0.00 O ATOM 243 CB ALA A 18 1.349 -6.215 -12.720 1.00 0.00 C ATOM 0 H ALA A 18 -0.273 -5.943 -10.899 1.00 0.00 H new ATOM 0 HA ALA A 18 0.239 -8.030 -12.848 1.00 0.00 H new ATOM 0 HB1 ALA A 18 2.179 -6.584 -13.323 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.650 -5.673 -13.357 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.730 -5.546 -11.948 1.00 0.00 H new ATOM 249 N GLY A 19 1.744 -7.980 -10.000 1.00 0.00 N ATOM 250 CA GLY A 19 2.401 -8.765 -8.994 1.00 0.00 C ATOM 251 C GLY A 19 1.615 -10.019 -8.687 1.00 0.00 C ATOM 252 O GLY A 19 2.177 -11.093 -8.730 1.00 0.00 O ATOM 0 H GLY A 19 1.378 -7.113 -9.607 1.00 0.00 H new ATOM 0 HA2 GLY A 19 3.402 -9.033 -9.333 1.00 0.00 H new ATOM 0 HA3 GLY A 19 2.519 -8.174 -8.086 1.00 0.00 H new ATOM 256 N GLY A 20 0.313 -9.913 -8.468 1.00 0.00 N ATOM 257 CA GLY A 20 -0.609 -10.992 -8.297 1.00 0.00 C ATOM 258 C GLY A 20 -1.027 -11.271 -6.888 1.00 0.00 C ATOM 259 O GLY A 20 -1.187 -12.411 -6.537 1.00 0.00 O ATOM 0 H GLY A 20 -0.144 -9.003 -8.403 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -1.501 -10.780 -8.886 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -0.162 -11.896 -8.710 1.00 0.00 H new ATOM 263 N TYR A 21 -1.189 -10.271 -6.037 1.00 0.00 N ATOM 264 CA TYR A 21 -1.673 -10.444 -4.696 1.00 0.00 C ATOM 265 C TYR A 21 -3.012 -11.131 -4.674 1.00 0.00 C ATOM 266 O TYR A 21 -3.892 -10.845 -5.435 1.00 0.00 O ATOM 267 CB TYR A 21 -1.729 -9.100 -4.001 1.00 0.00 C ATOM 268 CG TYR A 21 -0.438 -8.427 -3.624 1.00 0.00 C ATOM 269 CD1 TYR A 21 0.493 -8.986 -2.753 1.00 0.00 C ATOM 270 CD2 TYR A 21 -0.274 -7.110 -4.023 1.00 0.00 C ATOM 271 CE1 TYR A 21 1.579 -8.222 -2.326 1.00 0.00 C ATOM 272 CE2 TYR A 21 0.805 -6.324 -3.617 1.00 0.00 C ATOM 273 CZ TYR A 21 1.744 -6.905 -2.754 1.00 0.00 C ATOM 274 OH TYR A 21 2.836 -6.190 -2.366 1.00 0.00 O ATOM 0 H TYR A 21 -0.981 -9.301 -6.273 1.00 0.00 H new ATOM 0 HA TYR A 21 -0.981 -11.091 -4.156 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -2.281 -8.417 -4.646 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -2.316 -9.223 -3.091 1.00 0.00 H new ATOM 0 HD1 TYR A 21 0.375 -10.003 -2.411 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -1.014 -6.673 -4.677 1.00 0.00 H new ATOM 0 HE1 TYR A 21 2.303 -8.657 -1.653 1.00 0.00 H new ATOM 0 HE2 TYR A 21 0.913 -5.304 -3.956 1.00 0.00 H new ATOM 0 HH TYR A 21 3.604 -6.439 -2.921 1.00 0.00 H new ATOM 294 N ALA B 24 1.915 -14.208 -4.188 1.00 0.00 N ATOM 295 CA ALA B 24 2.276 -13.577 -2.949 1.00 0.00 C ATOM 296 C ALA B 24 3.635 -12.929 -2.883 1.00 0.00 C ATOM 297 O ALA B 24 3.820 -11.998 -2.132 1.00 0.00 O ATOM 298 CB ALA B 24 2.127 -14.573 -1.861 1.00 0.00 C ATOM 0 HA ALA B 24 1.594 -12.733 -2.844 1.00 0.00 H new ATOM 0 HB1 ALA B 24 2.396 -14.115 -0.909 1.00 0.00 H new ATOM 0 HB2 ALA B 24 1.093 -14.915 -1.820 1.00 0.00 H new ATOM 0 HB3 ALA B 24 2.782 -15.423 -2.053 1.00 0.00 H new ATOM 304 N LYS B 25 4.586 -13.333 -3.700 1.00 0.00 N ATOM 305 CA LYS B 25 5.868 -12.703 -3.851 1.00 0.00 C ATOM 306 C LYS B 25 5.848 -11.269 -4.350 1.00 0.00 C ATOM 307 O LYS B 25 6.827 -10.578 -4.159 1.00 0.00 O ATOM 308 CB LYS B 25 6.766 -13.468 -4.775 1.00 0.00 C ATOM 309 CG LYS B 25 7.124 -14.828 -4.286 1.00 0.00 C ATOM 310 CD LYS B 25 8.108 -15.520 -5.191 1.00 0.00 C ATOM 311 CE LYS B 25 7.802 -16.371 -6.055 1.00 0.00 C ATOM 312 NZ LYS B 25 8.753 -17.081 -6.856 1.00 0.00 N ATOM 0 H LYS B 25 4.474 -14.149 -4.302 1.00 0.00 H new ATOM 0 HA LYS B 25 6.241 -12.697 -2.827 1.00 0.00 H new ATOM 0 HB2 LYS B 25 6.278 -13.559 -5.746 1.00 0.00 H new ATOM 0 HB3 LYS B 25 7.681 -12.897 -4.931 1.00 0.00 H new ATOM 0 HG2 LYS B 25 7.547 -14.752 -3.284 1.00 0.00 H new ATOM 0 HG3 LYS B 25 6.220 -15.432 -4.206 1.00 0.00 H new ATOM 0 HD2 LYS B 25 8.637 -14.729 -5.722 1.00 0.00 H new ATOM 0 HD3 LYS B 25 8.832 -16.003 -4.535 1.00 0.00 H new ATOM 0 HE2 LYS B 25 7.213 -17.129 -5.539 1.00 0.00 H new ATOM 0 HE3 LYS B 25 7.133 -15.868 -6.753 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 8.252 -17.729 -7.497 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 9.310 -16.404 -7.415 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 9.388 -17.626 -6.239 1.00 0.00 H new ATOM 326 N ALA B 26 4.708 -10.782 -4.819 1.00 0.00 N ATOM 327 CA ALA B 26 4.370 -9.388 -4.967 1.00 0.00 C ATOM 328 C ALA B 26 4.670 -8.544 -3.746 1.00 0.00 C ATOM 329 O ALA B 26 4.763 -7.333 -3.843 1.00 0.00 O ATOM 330 CB ALA B 26 2.896 -9.289 -5.330 1.00 0.00 C ATOM 0 H ALA B 26 3.952 -11.395 -5.123 1.00 0.00 H new ATOM 0 HA ALA B 26 5.002 -8.982 -5.757 1.00 0.00 H new ATOM 0 HB1 ALA B 26 2.620 -8.241 -5.447 1.00 0.00 H new ATOM 0 HB2 ALA B 26 2.715 -9.818 -6.266 1.00 0.00 H new ATOM 0 HB3 ALA B 26 2.295 -9.737 -4.538 1.00 0.00 H new ATOM 336 N ALA B 27 4.862 -9.168 -2.589 1.00 0.00 N ATOM 337 CA ALA B 27 5.021 -8.590 -1.281 1.00 0.00 C ATOM 338 C ALA B 27 6.256 -7.718 -1.143 1.00 0.00 C ATOM 339 O ALA B 27 6.178 -6.541 -1.465 1.00 0.00 O ATOM 340 CB ALA B 27 4.937 -9.713 -0.263 1.00 0.00 C ATOM 0 H ALA B 27 4.913 -10.186 -2.552 1.00 0.00 H new ATOM 0 HA ALA B 27 4.213 -7.882 -1.097 1.00 0.00 H new ATOM 0 HB1 ALA B 27 5.054 -9.304 0.740 1.00 0.00 H new ATOM 0 HB2 ALA B 27 3.968 -10.205 -0.343 1.00 0.00 H new ATOM 0 HB3 ALA B 27 5.729 -10.438 -0.454 1.00 0.00 H new ATOM 346 N ALA B 28 7.394 -8.283 -0.750 1.00 0.00 N ATOM 347 CA ALA B 28 8.619 -7.532 -0.619 1.00 0.00 C ATOM 348 C ALA B 28 9.307 -7.345 -1.954 1.00 0.00 C ATOM 349 O ALA B 28 10.510 -7.291 -2.041 1.00 0.00 O ATOM 350 CB ALA B 28 9.473 -8.217 0.421 1.00 0.00 C ATOM 0 H ALA B 28 7.483 -9.272 -0.516 1.00 0.00 H new ATOM 0 HA ALA B 28 8.415 -6.516 -0.280 1.00 0.00 H new ATOM 0 HB1 ALA B 28 10.408 -7.670 0.542 1.00 0.00 H new ATOM 0 HB2 ALA B 28 8.940 -8.239 1.372 1.00 0.00 H new ATOM 0 HB3 ALA B 28 9.688 -9.237 0.101 1.00 0.00 H new ATOM 356 N ALA B 29 8.513 -7.183 -2.996 1.00 0.00 N ATOM 357 CA ALA B 29 8.840 -6.614 -4.284 1.00 0.00 C ATOM 358 C ALA B 29 8.180 -5.267 -4.500 1.00 0.00 C ATOM 359 O ALA B 29 8.768 -4.420 -5.126 1.00 0.00 O ATOM 360 CB ALA B 29 8.396 -7.601 -5.349 1.00 0.00 C ATOM 0 H ALA B 29 7.536 -7.473 -2.955 1.00 0.00 H new ATOM 0 HA ALA B 29 9.915 -6.440 -4.337 1.00 0.00 H new ATOM 0 HB1 ALA B 29 8.629 -7.201 -6.336 1.00 0.00 H new ATOM 0 HB2 ALA B 29 8.918 -8.547 -5.209 1.00 0.00 H new ATOM 0 HB3 ALA B 29 7.321 -7.764 -5.268 1.00 0.00 H new ATOM 366 N ALA B 30 6.970 -5.069 -3.996 1.00 0.00 N ATOM 367 CA ALA B 30 6.297 -3.788 -4.004 1.00 0.00 C ATOM 368 C ALA B 30 6.468 -3.046 -2.693 1.00 0.00 C ATOM 369 O ALA B 30 6.948 -1.927 -2.626 1.00 0.00 O ATOM 370 CB ALA B 30 4.837 -3.986 -4.355 1.00 0.00 C ATOM 0 H ALA B 30 6.422 -5.812 -3.563 1.00 0.00 H new ATOM 0 HA ALA B 30 6.758 -3.160 -4.766 1.00 0.00 H new ATOM 0 HB1 ALA B 30 4.330 -3.021 -4.361 1.00 0.00 H new ATOM 0 HB2 ALA B 30 4.759 -4.443 -5.341 1.00 0.00 H new ATOM 0 HB3 ALA B 30 4.370 -4.637 -3.616 1.00 0.00 H new ATOM 376 N ILE B 31 6.101 -3.701 -1.599 1.00 0.00 N ATOM 377 CA ILE B 31 6.115 -3.198 -0.245 1.00 0.00 C ATOM 378 C ILE B 31 7.468 -2.645 0.165 1.00 0.00 C ATOM 379 O ILE B 31 7.529 -1.672 0.894 1.00 0.00 O ATOM 380 CB ILE B 31 5.648 -4.240 0.759 1.00 0.00 C ATOM 381 CG1 ILE B 31 4.290 -4.865 0.484 1.00 0.00 C ATOM 382 CG2 ILE B 31 5.676 -3.682 2.171 1.00 0.00 C ATOM 383 CD1 ILE B 31 3.204 -3.881 0.245 1.00 0.00 C ATOM 0 H ILE B 31 5.764 -4.663 -1.645 1.00 0.00 H new ATOM 0 HA ILE B 31 5.405 -2.371 -0.236 1.00 0.00 H new ATOM 0 HB ILE B 31 6.367 -5.052 0.647 1.00 0.00 H new ATOM 0 HG12 ILE B 31 4.372 -5.517 -0.386 1.00 0.00 H new ATOM 0 HG13 ILE B 31 4.015 -5.495 1.330 1.00 0.00 H new ATOM 0 HG21 ILE B 31 5.338 -4.446 2.871 1.00 0.00 H new ATOM 0 HG22 ILE B 31 6.693 -3.383 2.424 1.00 0.00 H new ATOM 0 HG23 ILE B 31 5.017 -2.816 2.233 1.00 0.00 H new ATOM 0 HD11 ILE B 31 2.269 -4.409 0.057 1.00 0.00 H new ATOM 0 HD12 ILE B 31 3.091 -3.244 1.122 1.00 0.00 H new ATOM 0 HD13 ILE B 31 3.454 -3.266 -0.620 1.00 0.00 H new ATOM 395 N LYS B 32 8.550 -3.238 -0.334 1.00 0.00 N ATOM 396 CA LYS B 32 9.906 -2.778 -0.135 1.00 0.00 C ATOM 397 C LYS B 32 10.123 -1.314 -0.478 1.00 0.00 C ATOM 398 O LYS B 32 10.472 -0.476 0.343 1.00 0.00 O ATOM 399 CB LYS B 32 10.884 -3.707 -0.841 1.00 0.00 C ATOM 400 CG LYS B 32 10.799 -3.961 -2.330 1.00 0.00 C ATOM 401 CD LYS B 32 12.014 -4.667 -2.884 1.00 0.00 C ATOM 402 CE LYS B 32 12.820 -4.219 -3.547 1.00 0.00 C ATOM 403 NZ LYS B 32 13.929 -4.882 -4.155 1.00 0.00 N ATOM 0 H LYS B 32 8.496 -4.080 -0.907 1.00 0.00 H new ATOM 0 HA LYS B 32 10.104 -2.824 0.936 1.00 0.00 H new ATOM 0 HB2 LYS B 32 11.885 -3.324 -0.642 1.00 0.00 H new ATOM 0 HB3 LYS B 32 10.810 -4.677 -0.350 1.00 0.00 H new ATOM 0 HG2 LYS B 32 9.912 -4.559 -2.540 1.00 0.00 H new ATOM 0 HG3 LYS B 32 10.672 -3.010 -2.847 1.00 0.00 H new ATOM 0 HD2 LYS B 32 12.540 -5.063 -2.015 1.00 0.00 H new ATOM 0 HD3 LYS B 32 11.625 -5.522 -3.438 1.00 0.00 H new ATOM 0 HE2 LYS B 32 12.282 -3.752 -4.372 1.00 0.00 H new ATOM 0 HE3 LYS B 32 13.259 -3.415 -2.956 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 14.486 -4.196 -4.703 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 14.528 -5.304 -3.417 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 13.582 -5.630 -4.788 1.00 0.00 H new ATOM 417 N ALA B 33 9.875 -1.045 -1.757 1.00 0.00 N ATOM 418 CA ALA B 33 9.824 0.280 -2.333 1.00 0.00 C ATOM 419 C ALA B 33 8.789 1.132 -1.621 1.00 0.00 C ATOM 420 O ALA B 33 9.103 2.241 -1.222 1.00 0.00 O ATOM 421 CB ALA B 33 9.581 0.198 -3.828 1.00 0.00 C ATOM 0 H ALA B 33 9.698 -1.780 -2.442 1.00 0.00 H new ATOM 0 HA ALA B 33 10.788 0.769 -2.192 1.00 0.00 H new ATOM 0 HB1 ALA B 33 9.545 1.204 -4.247 1.00 0.00 H new ATOM 0 HB2 ALA B 33 10.390 -0.362 -4.298 1.00 0.00 H new ATOM 0 HB3 ALA B 33 8.633 -0.307 -4.015 1.00 0.00 H new ATOM 427 N ILE B 34 7.591 0.618 -1.356 1.00 0.00 N ATOM 428 CA ILE B 34 6.490 1.376 -0.821 1.00 0.00 C ATOM 429 C ILE B 34 6.778 1.798 0.604 1.00 0.00 C ATOM 430 O ILE B 34 6.565 2.963 0.902 1.00 0.00 O ATOM 431 CB ILE B 34 5.156 0.683 -1.024 1.00 0.00 C ATOM 432 CG1 ILE B 34 4.770 0.618 -2.488 1.00 0.00 C ATOM 433 CG2 ILE B 34 3.993 1.239 -0.225 1.00 0.00 C ATOM 434 CD1 ILE B 34 4.338 1.885 -3.187 1.00 0.00 C ATOM 0 H ILE B 34 7.365 -0.364 -1.515 1.00 0.00 H new ATOM 0 HA ILE B 34 6.391 2.299 -1.392 1.00 0.00 H new ATOM 0 HB ILE B 34 5.338 -0.318 -0.632 1.00 0.00 H new ATOM 0 HG12 ILE B 34 5.622 0.214 -3.035 1.00 0.00 H new ATOM 0 HG13 ILE B 34 3.959 -0.104 -2.583 1.00 0.00 H new ATOM 0 HG21 ILE B 34 3.092 0.668 -0.449 1.00 0.00 H new ATOM 0 HG22 ILE B 34 4.215 1.165 0.840 1.00 0.00 H new ATOM 0 HG23 ILE B 34 3.836 2.284 -0.491 1.00 0.00 H new ATOM 0 HD11 ILE B 34 4.097 1.663 -4.227 1.00 0.00 H new ATOM 0 HD12 ILE B 34 3.458 2.293 -2.690 1.00 0.00 H new ATOM 0 HD13 ILE B 34 5.147 2.615 -3.150 1.00 0.00 H new ATOM 446 N ALA B 35 7.303 0.951 1.482 1.00 0.00 N ATOM 447 CA ALA B 35 7.580 1.388 2.832 1.00 0.00 C ATOM 448 C ALA B 35 8.681 2.420 2.946 1.00 0.00 C ATOM 449 O ALA B 35 8.737 3.147 3.909 1.00 0.00 O ATOM 450 CB ALA B 35 7.872 0.157 3.664 1.00 0.00 C ATOM 0 H ALA B 35 7.539 -0.021 1.283 1.00 0.00 H new ATOM 0 HA ALA B 35 6.700 1.911 3.205 1.00 0.00 H new ATOM 0 HB1 ALA B 35 8.086 0.454 4.691 1.00 0.00 H new ATOM 0 HB2 ALA B 35 7.006 -0.505 3.650 1.00 0.00 H new ATOM 0 HB3 ALA B 35 8.735 -0.365 3.251 1.00 0.00 H new ATOM 456 N ALA B 36 9.504 2.553 1.914 1.00 0.00 N ATOM 457 CA ALA B 36 10.558 3.530 1.774 1.00 0.00 C ATOM 458 C ALA B 36 10.091 4.800 1.093 1.00 0.00 C ATOM 459 O ALA B 36 10.405 5.908 1.482 1.00 0.00 O ATOM 460 CB ALA B 36 11.730 2.863 1.081 1.00 0.00 C ATOM 0 H ALA B 36 9.443 1.937 1.103 1.00 0.00 H new ATOM 0 HA ALA B 36 10.881 3.868 2.759 1.00 0.00 H new ATOM 0 HB1 ALA B 36 12.541 3.582 0.963 1.00 0.00 H new ATOM 0 HB2 ALA B 36 12.076 2.021 1.681 1.00 0.00 H new ATOM 0 HB3 ALA B 36 11.417 2.505 0.100 1.00 0.00 H new ATOM 466 N ILE B 37 9.207 4.643 0.115 1.00 0.00 N ATOM 467 CA ILE B 37 8.479 5.684 -0.570 1.00 0.00 C ATOM 468 C ILE B 37 7.542 6.400 0.386 1.00 0.00 C ATOM 469 O ILE B 37 7.393 7.607 0.304 1.00 0.00 O ATOM 470 CB ILE B 37 7.767 5.099 -1.778 1.00 0.00 C ATOM 471 CG1 ILE B 37 8.732 4.858 -2.925 1.00 0.00 C ATOM 472 CG2 ILE B 37 6.544 5.867 -2.251 1.00 0.00 C ATOM 473 CD1 ILE B 37 8.251 3.883 -3.983 1.00 0.00 C ATOM 0 H ILE B 37 8.969 3.716 -0.239 1.00 0.00 H new ATOM 0 HA ILE B 37 9.172 6.440 -0.939 1.00 0.00 H new ATOM 0 HB ILE B 37 7.377 4.145 -1.424 1.00 0.00 H new ATOM 0 HG12 ILE B 37 8.946 5.813 -3.405 1.00 0.00 H new ATOM 0 HG13 ILE B 37 9.672 4.489 -2.515 1.00 0.00 H new ATOM 0 HG21 ILE B 37 6.112 5.365 -3.117 1.00 0.00 H new ATOM 0 HG22 ILE B 37 5.807 5.907 -1.449 1.00 0.00 H new ATOM 0 HG23 ILE B 37 6.835 6.881 -2.527 1.00 0.00 H new ATOM 0 HD11 ILE B 37 9.012 3.781 -4.757 1.00 0.00 H new ATOM 0 HD12 ILE B 37 8.066 2.911 -3.525 1.00 0.00 H new ATOM 0 HD13 ILE B 37 7.328 4.255 -4.428 1.00 0.00 H new ATOM 485 N ILE B 38 6.926 5.668 1.309 1.00 0.00 N ATOM 486 CA ILE B 38 6.085 6.236 2.332 1.00 0.00 C ATOM 487 C ILE B 38 6.849 7.169 3.248 1.00 0.00 C ATOM 488 O ILE B 38 6.478 8.325 3.406 1.00 0.00 O ATOM 489 CB ILE B 38 5.326 5.150 3.077 1.00 0.00 C ATOM 490 CG1 ILE B 38 4.240 4.676 2.123 1.00 0.00 C ATOM 491 CG2 ILE B 38 4.729 5.669 4.374 1.00 0.00 C ATOM 492 CD1 ILE B 38 3.241 3.695 2.695 1.00 0.00 C ATOM 0 H ILE B 38 7.004 4.652 1.360 1.00 0.00 H new ATOM 0 HA ILE B 38 5.338 6.861 1.843 1.00 0.00 H new ATOM 0 HB ILE B 38 5.991 4.336 3.365 1.00 0.00 H new ATOM 0 HG12 ILE B 38 3.696 5.548 1.760 1.00 0.00 H new ATOM 0 HG13 ILE B 38 4.718 4.215 1.259 1.00 0.00 H new ATOM 0 HG21 ILE B 38 4.195 4.863 4.877 1.00 0.00 H new ATOM 0 HG22 ILE B 38 5.526 6.035 5.021 1.00 0.00 H new ATOM 0 HG23 ILE B 38 4.037 6.482 4.156 1.00 0.00 H new ATOM 0 HD11 ILE B 38 2.515 3.426 1.928 1.00 0.00 H new ATOM 0 HD12 ILE B 38 3.763 2.799 3.031 1.00 0.00 H new ATOM 0 HD13 ILE B 38 2.725 4.152 3.539 1.00 0.00 H new ATOM 504 N LYS B 39 7.970 6.689 3.774 1.00 0.00 N ATOM 505 CA LYS B 39 8.899 7.445 4.575 1.00 0.00 C ATOM 506 C LYS B 39 9.365 8.708 3.887 1.00 0.00 C ATOM 507 O LYS B 39 9.369 9.742 4.516 1.00 0.00 O ATOM 508 CB LYS B 39 10.056 6.548 4.968 1.00 0.00 C ATOM 509 CG LYS B 39 10.975 7.083 6.030 1.00 0.00 C ATOM 510 CD LYS B 39 10.363 7.307 7.377 1.00 0.00 C ATOM 511 CE LYS B 39 9.871 6.081 8.021 1.00 0.00 C ATOM 512 NZ LYS B 39 9.403 6.260 9.329 1.00 0.00 N ATOM 0 H LYS B 39 8.260 5.720 3.643 1.00 0.00 H new ATOM 0 HA LYS B 39 8.387 7.782 5.476 1.00 0.00 H new ATOM 0 HB2 LYS B 39 9.651 5.596 5.312 1.00 0.00 H new ATOM 0 HB3 LYS B 39 10.647 6.339 4.076 1.00 0.00 H new ATOM 0 HG2 LYS B 39 11.809 6.390 6.143 1.00 0.00 H new ATOM 0 HG3 LYS B 39 11.390 8.028 5.680 1.00 0.00 H new ATOM 0 HD2 LYS B 39 11.102 7.775 8.027 1.00 0.00 H new ATOM 0 HD3 LYS B 39 9.536 8.010 7.277 1.00 0.00 H new ATOM 0 HE2 LYS B 39 9.067 5.665 7.415 1.00 0.00 H new ATOM 0 HE3 LYS B 39 10.675 5.345 8.034 1.00 0.00 H new ATOM 0 HZ1 LYS B 39 9.076 5.349 9.708 1.00 0.00 H new ATOM 0 HZ2 LYS B 39 10.172 6.627 9.926 1.00 0.00 H new ATOM 0 HZ3 LYS B 39 8.614 6.937 9.326 1.00 0.00 H new ATOM 526 N ALA B 40 9.665 8.673 2.602 1.00 0.00 N ATOM 527 CA ALA B 40 10.020 9.800 1.770 1.00 0.00 C ATOM 528 C ALA B 40 8.865 10.662 1.294 1.00 0.00 C ATOM 529 O ALA B 40 9.059 11.751 0.829 1.00 0.00 O ATOM 530 CB ALA B 40 10.817 9.256 0.607 1.00 0.00 C ATOM 0 H ALA B 40 9.666 7.796 2.080 1.00 0.00 H new ATOM 0 HA ALA B 40 10.599 10.491 2.383 1.00 0.00 H new ATOM 0 HB1 ALA B 40 11.107 10.076 -0.050 1.00 0.00 H new ATOM 0 HB2 ALA B 40 11.711 8.756 0.980 1.00 0.00 H new ATOM 0 HB3 ALA B 40 10.208 8.543 0.051 1.00 0.00 H new ATOM 536 N GLY B 41 7.647 10.163 1.356 1.00 0.00 N ATOM 537 CA GLY B 41 6.451 10.652 0.715 1.00 0.00 C ATOM 538 C GLY B 41 5.629 11.666 1.481 1.00 0.00 C ATOM 539 O GLY B 41 4.781 12.314 0.905 1.00 0.00 O ATOM 0 H GLY B 41 7.456 9.327 1.909 1.00 0.00 H new ATOM 0 HA2 GLY B 41 6.735 11.097 -0.239 1.00 0.00 H new ATOM 0 HA3 GLY B 41 5.813 9.797 0.491 1.00 0.00 H new ATOM 543 N GLY B 42 5.832 11.779 2.787 1.00 0.00 N ATOM 544 CA GLY B 42 5.128 12.722 3.613 1.00 0.00 C ATOM 545 C GLY B 42 3.717 12.307 3.925 1.00 0.00 C ATOM 546 O GLY B 42 2.901 13.127 4.297 1.00 0.00 O ATOM 0 H GLY B 42 6.502 11.205 3.299 1.00 0.00 H new ATOM 0 HA2 GLY B 42 5.675 12.855 4.547 1.00 0.00 H new ATOM 0 HA3 GLY B 42 5.112 13.690 3.113 1.00 0.00 H new ATOM 550 N TYR B 43 3.363 11.040 3.749 1.00 0.00 N ATOM 551 CA TYR B 43 2.119 10.427 4.101 1.00 0.00 C ATOM 552 C TYR B 43 1.760 10.487 5.544 1.00 0.00 C ATOM 553 O TYR B 43 0.652 10.442 5.869 1.00 0.00 O ATOM 554 CB TYR B 43 2.226 8.996 3.612 1.00 0.00 C ATOM 555 CG TYR B 43 1.863 8.700 2.182 1.00 0.00 C ATOM 556 CD1 TYR B 43 0.567 8.809 1.686 1.00 0.00 C ATOM 557 CD2 TYR B 43 2.863 8.084 1.437 1.00 0.00 C ATOM 558 CE1 TYR B 43 0.250 8.229 0.462 1.00 0.00 C ATOM 559 CE2 TYR B 43 2.553 7.471 0.223 1.00 0.00 C ATOM 560 CZ TYR B 43 1.238 7.541 -0.250 1.00 0.00 C ATOM 561 OH TYR B 43 0.934 6.928 -1.422 1.00 0.00 O ATOM 0 H TYR B 43 4.003 10.372 3.319 1.00 0.00 H new ATOM 0 HA TYR B 43 1.305 10.981 3.634 1.00 0.00 H new ATOM 0 HB2 TYR B 43 3.253 8.667 3.769 1.00 0.00 H new ATOM 0 HB3 TYR B 43 1.593 8.379 4.250 1.00 0.00 H new ATOM 0 HD1 TYR B 43 -0.187 9.340 2.248 1.00 0.00 H new ATOM 0 HD2 TYR B 43 3.881 8.080 1.799 1.00 0.00 H new ATOM 0 HE1 TYR B 43 -0.751 8.309 0.065 1.00 0.00 H new ATOM 0 HE2 TYR B 43 3.314 6.952 -0.341 1.00 0.00 H new ATOM 0 HH TYR B 43 1.308 7.443 -2.167 1.00 0.00 H new ATOM 581 N ALA C 46 -7.744 11.829 -4.141 1.00 0.00 N ATOM 582 CA ALA C 46 -6.719 11.172 -3.394 1.00 0.00 C ATOM 583 C ALA C 46 -6.738 11.434 -1.908 1.00 0.00 C ATOM 584 O ALA C 46 -5.788 11.108 -1.236 1.00 0.00 O ATOM 585 CB ALA C 46 -5.392 11.444 -4.058 1.00 0.00 C ATOM 0 HA ALA C 46 -6.916 10.100 -3.422 1.00 0.00 H new ATOM 0 HB1 ALA C 46 -4.597 10.949 -3.500 1.00 0.00 H new ATOM 0 HB2 ALA C 46 -5.411 11.062 -5.079 1.00 0.00 H new ATOM 0 HB3 ALA C 46 -5.208 12.518 -4.076 1.00 0.00 H new ATOM 591 N LYS C 47 -7.801 11.979 -1.341 1.00 0.00 N ATOM 592 CA LYS C 47 -8.013 12.235 0.062 1.00 0.00 C ATOM 593 C LYS C 47 -8.008 10.984 0.911 1.00 0.00 C ATOM 594 O LYS C 47 -7.837 11.083 2.114 1.00 0.00 O ATOM 595 CB LYS C 47 -9.342 12.924 0.294 1.00 0.00 C ATOM 596 CG LYS C 47 -9.685 14.070 -0.621 1.00 0.00 C ATOM 597 CD LYS C 47 -8.794 15.271 -0.522 1.00 0.00 C ATOM 598 CE LYS C 47 -9.190 16.281 -1.533 1.00 0.00 C ATOM 599 NZ LYS C 47 -8.432 17.461 -1.436 1.00 0.00 N ATOM 0 H LYS C 47 -8.600 12.276 -1.902 1.00 0.00 H new ATOM 0 HA LYS C 47 -7.177 12.868 0.359 1.00 0.00 H new ATOM 0 HB2 LYS C 47 -10.131 12.176 0.211 1.00 0.00 H new ATOM 0 HB3 LYS C 47 -9.358 13.292 1.320 1.00 0.00 H new ATOM 0 HG2 LYS C 47 -9.664 13.709 -1.649 1.00 0.00 H new ATOM 0 HG3 LYS C 47 -10.709 14.382 -0.414 1.00 0.00 H new ATOM 0 HD2 LYS C 47 -8.859 15.700 0.478 1.00 0.00 H new ATOM 0 HD3 LYS C 47 -7.756 14.977 -0.676 1.00 0.00 H new ATOM 0 HE2 LYS C 47 -9.073 15.858 -2.531 1.00 0.00 H new ATOM 0 HE3 LYS C 47 -10.246 16.520 -1.410 1.00 0.00 H new ATOM 0 HZ1 LYS C 47 -8.746 18.136 -2.163 1.00 0.00 H new ATOM 0 HZ2 LYS C 47 -8.563 17.881 -0.494 1.00 0.00 H new ATOM 0 HZ3 LYS C 47 -7.426 17.240 -1.580 1.00 0.00 H new ATOM 613 N ALA C 48 -8.164 9.812 0.313 1.00 0.00 N ATOM 614 CA ALA C 48 -8.088 8.485 0.865 1.00 0.00 C ATOM 615 C ALA C 48 -6.770 8.157 1.536 1.00 0.00 C ATOM 616 O ALA C 48 -6.586 7.069 2.052 1.00 0.00 O ATOM 617 CB ALA C 48 -8.435 7.523 -0.256 1.00 0.00 C ATOM 0 H ALA C 48 -8.370 9.775 -0.685 1.00 0.00 H new ATOM 0 HA ALA C 48 -8.799 8.399 1.686 1.00 0.00 H new ATOM 0 HB1 ALA C 48 -8.391 6.499 0.116 1.00 0.00 H new ATOM 0 HB2 ALA C 48 -9.441 7.734 -0.618 1.00 0.00 H new ATOM 0 HB3 ALA C 48 -7.723 7.644 -1.072 1.00 0.00 H new ATOM 623 N ALA C 49 -5.823 9.085 1.477 1.00 0.00 N ATOM 624 CA ALA C 49 -4.410 8.926 1.722 1.00 0.00 C ATOM 625 C ALA C 49 -4.060 8.617 3.166 1.00 0.00 C ATOM 626 O ALA C 49 -3.877 7.458 3.507 1.00 0.00 O ATOM 627 CB ALA C 49 -3.658 10.087 1.097 1.00 0.00 C ATOM 0 H ALA C 49 -6.053 10.049 1.235 1.00 0.00 H new ATOM 0 HA ALA C 49 -4.068 8.019 1.223 1.00 0.00 H new ATOM 0 HB1 ALA C 49 -2.590 9.970 1.280 1.00 0.00 H new ATOM 0 HB2 ALA C 49 -3.842 10.104 0.023 1.00 0.00 H new ATOM 0 HB3 ALA C 49 -4.001 11.023 1.538 1.00 0.00 H new ATOM 633 N ALA C 50 -4.017 9.616 4.043 1.00 0.00 N ATOM 634 CA ALA C 50 -3.681 9.479 5.440 1.00 0.00 C ATOM 635 C ALA C 50 -4.664 8.699 6.289 1.00 0.00 C ATOM 636 O ALA C 50 -4.414 8.497 7.466 1.00 0.00 O ATOM 637 CB ALA C 50 -3.410 10.854 6.013 1.00 0.00 C ATOM 0 H ALA C 50 -4.225 10.579 3.780 1.00 0.00 H new ATOM 0 HA ALA C 50 -2.786 8.857 5.477 1.00 0.00 H new ATOM 0 HB1 ALA C 50 -3.155 10.764 7.069 1.00 0.00 H new ATOM 0 HB2 ALA C 50 -2.580 11.314 5.477 1.00 0.00 H new ATOM 0 HB3 ALA C 50 -4.300 11.474 5.906 1.00 0.00 H new ATOM 643 N ALA C 51 -5.761 8.200 5.734 1.00 0.00 N ATOM 644 CA ALA C 51 -6.542 7.122 6.284 1.00 0.00 C ATOM 645 C ALA C 51 -5.894 5.790 5.956 1.00 0.00 C ATOM 646 O ALA C 51 -5.495 5.096 6.865 1.00 0.00 O ATOM 647 CB ALA C 51 -7.979 7.226 5.811 1.00 0.00 C ATOM 0 H ALA C 51 -6.138 8.555 4.855 1.00 0.00 H new ATOM 0 HA ALA C 51 -6.568 7.195 7.371 1.00 0.00 H new ATOM 0 HB1 ALA C 51 -8.561 6.406 6.232 1.00 0.00 H new ATOM 0 HB2 ALA C 51 -8.402 8.176 6.137 1.00 0.00 H new ATOM 0 HB3 ALA C 51 -8.009 7.170 4.723 1.00 0.00 H new ATOM 653 N ALA C 52 -5.815 5.410 4.695 1.00 0.00 N ATOM 654 CA ALA C 52 -5.418 4.085 4.286 1.00 0.00 C ATOM 655 C ALA C 52 -4.000 3.753 4.712 1.00 0.00 C ATOM 656 O ALA C 52 -3.812 2.776 5.414 1.00 0.00 O ATOM 657 CB ALA C 52 -5.503 3.899 2.781 1.00 0.00 C ATOM 0 H ALA C 52 -6.030 6.030 3.914 1.00 0.00 H new ATOM 0 HA ALA C 52 -6.119 3.414 4.782 1.00 0.00 H new ATOM 0 HB1 ALA C 52 -5.194 2.886 2.522 1.00 0.00 H new ATOM 0 HB2 ALA C 52 -6.529 4.061 2.452 1.00 0.00 H new ATOM 0 HB3 ALA C 52 -4.846 4.616 2.288 1.00 0.00 H new ATOM 663 N ILE C 53 -2.993 4.494 4.262 1.00 0.00 N ATOM 664 CA ILE C 53 -1.611 4.077 4.357 1.00 0.00 C ATOM 665 C ILE C 53 -1.122 4.092 5.793 1.00 0.00 C ATOM 666 O ILE C 53 -0.093 3.503 6.089 1.00 0.00 O ATOM 667 CB ILE C 53 -0.679 4.825 3.413 1.00 0.00 C ATOM 668 CG1 ILE C 53 0.032 6.018 4.013 1.00 0.00 C ATOM 669 CG2 ILE C 53 -1.291 5.230 2.088 1.00 0.00 C ATOM 670 CD1 ILE C 53 -0.882 7.075 4.588 1.00 0.00 C ATOM 0 H ILE C 53 -3.120 5.404 3.820 1.00 0.00 H new ATOM 0 HA ILE C 53 -1.584 3.042 4.015 1.00 0.00 H new ATOM 0 HB ILE C 53 0.067 4.054 3.220 1.00 0.00 H new ATOM 0 HG12 ILE C 53 0.700 5.668 4.800 1.00 0.00 H new ATOM 0 HG13 ILE C 53 0.656 6.475 3.245 1.00 0.00 H new ATOM 0 HG21 ILE C 53 -0.547 5.756 1.489 1.00 0.00 H new ATOM 0 HG22 ILE C 53 -1.624 4.340 1.554 1.00 0.00 H new ATOM 0 HG23 ILE C 53 -2.143 5.886 2.266 1.00 0.00 H new ATOM 0 HD11 ILE C 53 -0.284 7.891 4.995 1.00 0.00 H new ATOM 0 HD12 ILE C 53 -1.533 7.459 3.803 1.00 0.00 H new ATOM 0 HD13 ILE C 53 -1.489 6.639 5.381 1.00 0.00 H new ATOM 682 N LYS C 54 -1.888 4.729 6.673 1.00 0.00 N ATOM 683 CA LYS C 54 -1.522 5.139 8.010 1.00 0.00 C ATOM 684 C LYS C 54 -1.860 4.012 8.968 1.00 0.00 C ATOM 685 O LYS C 54 -1.023 3.663 9.780 1.00 0.00 O ATOM 686 CB LYS C 54 -2.306 6.424 8.220 1.00 0.00 C ATOM 687 CG LYS C 54 -1.795 7.434 9.202 1.00 0.00 C ATOM 688 CD LYS C 54 -1.973 7.055 10.628 1.00 0.00 C ATOM 689 CE LYS C 54 -1.713 8.190 11.524 1.00 0.00 C ATOM 690 NZ LYS C 54 -1.921 7.818 12.892 1.00 0.00 N ATOM 0 H LYS C 54 -2.848 4.987 6.447 1.00 0.00 H new ATOM 0 HA LYS C 54 -0.462 5.332 8.176 1.00 0.00 H new ATOM 0 HB2 LYS C 54 -2.391 6.919 7.253 1.00 0.00 H new ATOM 0 HB3 LYS C 54 -3.315 6.148 8.527 1.00 0.00 H new ATOM 0 HG2 LYS C 54 -0.734 7.600 9.014 1.00 0.00 H new ATOM 0 HG3 LYS C 54 -2.303 8.382 9.026 1.00 0.00 H new ATOM 0 HD2 LYS C 54 -2.989 6.692 10.785 1.00 0.00 H new ATOM 0 HD3 LYS C 54 -1.299 6.234 10.874 1.00 0.00 H new ATOM 0 HE2 LYS C 54 -0.689 8.538 11.389 1.00 0.00 H new ATOM 0 HE3 LYS C 54 -2.369 9.021 11.265 1.00 0.00 H new ATOM 0 HZ1 LYS C 54 -1.732 8.635 13.507 1.00 0.00 H new ATOM 0 HZ2 LYS C 54 -2.905 7.508 13.022 1.00 0.00 H new ATOM 0 HZ3 LYS C 54 -1.277 7.040 13.142 1.00 0.00 H new ATOM 704 N ALA C 55 -2.990 3.352 8.777 1.00 0.00 N ATOM 705 CA ALA C 55 -3.253 2.045 9.327 1.00 0.00 C ATOM 706 C ALA C 55 -2.324 1.008 8.727 1.00 0.00 C ATOM 707 O ALA C 55 -1.735 0.204 9.432 1.00 0.00 O ATOM 708 CB ALA C 55 -4.714 1.714 9.141 1.00 0.00 C ATOM 0 H ALA C 55 -3.762 3.723 8.223 1.00 0.00 H new ATOM 0 HA ALA C 55 -3.048 2.041 10.397 1.00 0.00 H new ATOM 0 HB1 ALA C 55 -4.919 0.727 9.555 1.00 0.00 H new ATOM 0 HB2 ALA C 55 -5.324 2.457 9.655 1.00 0.00 H new ATOM 0 HB3 ALA C 55 -4.956 1.719 8.078 1.00 0.00 H new ATOM 714 N ILE C 56 -2.154 0.985 7.408 1.00 0.00 N ATOM 715 CA ILE C 56 -1.415 -0.036 6.698 1.00 0.00 C ATOM 716 C ILE C 56 0.048 -0.031 7.099 1.00 0.00 C ATOM 717 O ILE C 56 0.568 -1.101 7.379 1.00 0.00 O ATOM 718 CB ILE C 56 -1.717 0.013 5.210 1.00 0.00 C ATOM 719 CG1 ILE C 56 -2.853 -0.924 4.871 1.00 0.00 C ATOM 720 CG2 ILE C 56 -0.551 -0.383 4.329 1.00 0.00 C ATOM 721 CD1 ILE C 56 -4.202 -0.542 5.348 1.00 0.00 C ATOM 0 H ILE C 56 -2.541 1.700 6.792 1.00 0.00 H new ATOM 0 HA ILE C 56 -1.756 -1.027 6.998 1.00 0.00 H new ATOM 0 HB ILE C 56 -1.965 1.056 5.012 1.00 0.00 H new ATOM 0 HG12 ILE C 56 -2.894 -1.029 3.787 1.00 0.00 H new ATOM 0 HG13 ILE C 56 -2.615 -1.907 5.278 1.00 0.00 H new ATOM 0 HG21 ILE C 56 -0.849 -0.322 3.282 1.00 0.00 H new ATOM 0 HG22 ILE C 56 0.286 0.292 4.508 1.00 0.00 H new ATOM 0 HG23 ILE C 56 -0.250 -1.405 4.561 1.00 0.00 H new ATOM 0 HD11 ILE C 56 -4.925 -1.297 5.039 1.00 0.00 H new ATOM 0 HD12 ILE C 56 -4.196 -0.469 6.436 1.00 0.00 H new ATOM 0 HD13 ILE C 56 -4.479 0.422 4.921 1.00 0.00 H new ATOM 733 N ALA C 57 0.696 1.113 7.306 1.00 0.00 N ATOM 734 CA ALA C 57 2.072 1.103 7.734 1.00 0.00 C ATOM 735 C ALA C 57 2.338 0.453 9.075 1.00 0.00 C ATOM 736 O ALA C 57 3.428 -0.049 9.318 1.00 0.00 O ATOM 737 CB ALA C 57 2.574 2.531 7.737 1.00 0.00 C ATOM 0 H ALA C 57 0.289 2.040 7.184 1.00 0.00 H new ATOM 0 HA ALA C 57 2.610 0.476 7.023 1.00 0.00 H new ATOM 0 HB1 ALA C 57 3.615 2.550 8.058 1.00 0.00 H new ATOM 0 HB2 ALA C 57 2.497 2.946 6.732 1.00 0.00 H new ATOM 0 HB3 ALA C 57 1.972 3.127 8.423 1.00 0.00 H new ATOM 743 N ALA C 58 1.343 0.388 9.953 1.00 0.00 N ATOM 744 CA ALA C 58 1.394 -0.284 11.231 1.00 0.00 C ATOM 745 C ALA C 58 1.036 -1.754 11.110 1.00 0.00 C ATOM 746 O ALA C 58 1.674 -2.621 11.663 1.00 0.00 O ATOM 747 CB ALA C 58 0.471 0.470 12.169 1.00 0.00 C ATOM 0 H ALA C 58 0.439 0.826 9.777 1.00 0.00 H new ATOM 0 HA ALA C 58 2.408 -0.277 11.630 1.00 0.00 H new ATOM 0 HB1 ALA C 58 0.480 -0.007 13.149 1.00 0.00 H new ATOM 0 HB2 ALA C 58 0.812 1.501 12.264 1.00 0.00 H new ATOM 0 HB3 ALA C 58 -0.543 0.458 11.769 1.00 0.00 H new ATOM 753 N ILE C 59 0.080 -2.081 10.250 1.00 0.00 N ATOM 754 CA ILE C 59 -0.267 -3.418 9.841 1.00 0.00 C ATOM 755 C ILE C 59 0.884 -4.085 9.117 1.00 0.00 C ATOM 756 O ILE C 59 1.079 -5.277 9.267 1.00 0.00 O ATOM 757 CB ILE C 59 -1.547 -3.344 9.029 1.00 0.00 C ATOM 758 CG1 ILE C 59 -2.751 -3.003 9.890 1.00 0.00 C ATOM 759 CG2 ILE C 59 -1.816 -4.600 8.219 1.00 0.00 C ATOM 760 CD1 ILE C 59 -3.909 -2.381 9.136 1.00 0.00 C ATOM 0 H ILE C 59 -0.501 -1.374 9.799 1.00 0.00 H new ATOM 0 HA ILE C 59 -0.454 -4.054 10.706 1.00 0.00 H new ATOM 0 HB ILE C 59 -1.389 -2.531 8.320 1.00 0.00 H new ATOM 0 HG12 ILE C 59 -3.100 -3.912 10.380 1.00 0.00 H new ATOM 0 HG13 ILE C 59 -2.436 -2.317 10.677 1.00 0.00 H new ATOM 0 HG21 ILE C 59 -2.745 -4.482 7.662 1.00 0.00 H new ATOM 0 HG22 ILE C 59 -0.994 -4.767 7.523 1.00 0.00 H new ATOM 0 HG23 ILE C 59 -1.902 -5.454 8.890 1.00 0.00 H new ATOM 0 HD11 ILE C 59 -4.724 -2.171 9.829 1.00 0.00 H new ATOM 0 HD12 ILE C 59 -3.582 -1.452 8.668 1.00 0.00 H new ATOM 0 HD13 ILE C 59 -4.256 -3.072 8.367 1.00 0.00 H new ATOM 772 N ILE C 60 1.678 -3.339 8.358 1.00 0.00 N ATOM 773 CA ILE C 60 2.894 -3.803 7.728 1.00 0.00 C ATOM 774 C ILE C 60 3.923 -4.281 8.728 1.00 0.00 C ATOM 775 O ILE C 60 4.456 -5.367 8.581 1.00 0.00 O ATOM 776 CB ILE C 60 3.451 -2.727 6.812 1.00 0.00 C ATOM 777 CG1 ILE C 60 2.602 -2.704 5.556 1.00 0.00 C ATOM 778 CG2 ILE C 60 4.918 -2.858 6.454 1.00 0.00 C ATOM 779 CD1 ILE C 60 3.055 -1.776 4.445 1.00 0.00 C ATOM 0 H ILE C 60 1.479 -2.358 8.161 1.00 0.00 H new ATOM 0 HA ILE C 60 2.642 -4.675 7.124 1.00 0.00 H new ATOM 0 HB ILE C 60 3.401 -1.790 7.367 1.00 0.00 H new ATOM 0 HG12 ILE C 60 2.558 -3.717 5.156 1.00 0.00 H new ATOM 0 HG13 ILE C 60 1.586 -2.428 5.837 1.00 0.00 H new ATOM 0 HG21 ILE C 60 5.207 -2.038 5.797 1.00 0.00 H new ATOM 0 HG22 ILE C 60 5.519 -2.824 7.363 1.00 0.00 H new ATOM 0 HG23 ILE C 60 5.085 -3.807 5.944 1.00 0.00 H new ATOM 0 HD11 ILE C 60 2.366 -1.852 3.604 1.00 0.00 H new ATOM 0 HD12 ILE C 60 3.069 -0.750 4.811 1.00 0.00 H new ATOM 0 HD13 ILE C 60 4.056 -2.059 4.120 1.00 0.00 H new ATOM 791 N LYS C 61 4.184 -3.463 9.737 1.00 0.00 N ATOM 792 CA LYS C 61 5.118 -3.782 10.783 1.00 0.00 C ATOM 793 C LYS C 61 4.725 -4.968 11.621 1.00 0.00 C ATOM 794 O LYS C 61 5.560 -5.802 11.889 1.00 0.00 O ATOM 795 CB LYS C 61 5.292 -2.558 11.636 1.00 0.00 C ATOM 796 CG LYS C 61 6.425 -1.681 11.238 1.00 0.00 C ATOM 797 CD LYS C 61 7.771 -2.202 11.618 1.00 0.00 C ATOM 798 CE LYS C 61 8.808 -1.247 11.302 1.00 0.00 C ATOM 799 NZ LYS C 61 10.123 -1.751 11.454 1.00 0.00 N ATOM 0 H LYS C 61 3.743 -2.550 9.845 1.00 0.00 H new ATOM 0 HA LYS C 61 6.057 -4.075 10.313 1.00 0.00 H new ATOM 0 HB2 LYS C 61 4.371 -1.976 11.605 1.00 0.00 H new ATOM 0 HB3 LYS C 61 5.437 -2.870 12.670 1.00 0.00 H new ATOM 0 HG2 LYS C 61 6.396 -1.538 10.158 1.00 0.00 H new ATOM 0 HG3 LYS C 61 6.287 -0.700 11.693 1.00 0.00 H new ATOM 0 HD2 LYS C 61 7.790 -2.424 12.685 1.00 0.00 H new ATOM 0 HD3 LYS C 61 7.963 -3.138 11.094 1.00 0.00 H new ATOM 0 HE2 LYS C 61 8.676 -0.910 10.274 1.00 0.00 H new ATOM 0 HE3 LYS C 61 8.689 -0.373 11.942 1.00 0.00 H new ATOM 0 HZ1 LYS C 61 10.810 -1.009 11.209 1.00 0.00 H new ATOM 0 HZ2 LYS C 61 10.270 -2.047 12.440 1.00 0.00 H new ATOM 0 HZ3 LYS C 61 10.257 -2.568 10.824 1.00 0.00 H new ATOM 813 N ALA C 62 3.449 -5.123 11.929 1.00 0.00 N ATOM 814 CA ALA C 62 2.843 -6.316 12.454 1.00 0.00 C ATOM 815 C ALA C 62 2.852 -7.478 11.500 1.00 0.00 C ATOM 816 O ALA C 62 2.885 -8.604 11.923 1.00 0.00 O ATOM 817 CB ALA C 62 1.448 -5.970 12.879 1.00 0.00 C ATOM 0 H ALA C 62 2.774 -4.368 11.809 1.00 0.00 H new ATOM 0 HA ALA C 62 3.438 -6.657 13.301 1.00 0.00 H new ATOM 0 HB1 ALA C 62 0.960 -6.857 13.283 1.00 0.00 H new ATOM 0 HB2 ALA C 62 1.483 -5.195 13.644 1.00 0.00 H new ATOM 0 HB3 ALA C 62 0.885 -5.606 12.019 1.00 0.00 H new ATOM 823 N GLY C 63 2.777 -7.225 10.210 1.00 0.00 N ATOM 824 CA GLY C 63 2.664 -8.161 9.127 1.00 0.00 C ATOM 825 C GLY C 63 3.916 -8.921 8.781 1.00 0.00 C ATOM 826 O GLY C 63 3.877 -9.895 8.121 1.00 0.00 O ATOM 0 H GLY C 63 2.796 -6.264 9.868 1.00 0.00 H new ATOM 0 HA2 GLY C 63 1.883 -8.880 9.374 1.00 0.00 H new ATOM 0 HA3 GLY C 63 2.333 -7.622 8.240 1.00 0.00 H new ATOM 830 N GLY C 64 5.062 -8.467 9.188 1.00 0.00 N ATOM 831 CA GLY C 64 6.331 -9.096 8.927 1.00 0.00 C ATOM 832 C GLY C 64 6.827 -8.977 7.517 1.00 0.00 C ATOM 833 O GLY C 64 7.629 -9.783 7.081 1.00 0.00 O ATOM 0 H GLY C 64 5.147 -7.611 9.736 1.00 0.00 H new ATOM 0 HA2 GLY C 64 7.076 -8.664 9.595 1.00 0.00 H new ATOM 0 HA3 GLY C 64 6.252 -10.154 9.179 1.00 0.00 H new ATOM 837 N TYR C 65 6.332 -8.016 6.746 1.00 0.00 N ATOM 838 CA TYR C 65 6.703 -7.699 5.393 1.00 0.00 C ATOM 839 C TYR C 65 8.141 -7.334 5.151 1.00 0.00 C ATOM 840 O TYR C 65 8.603 -7.474 4.041 1.00 0.00 O ATOM 841 CB TYR C 65 5.815 -6.539 4.976 1.00 0.00 C ATOM 842 CG TYR C 65 4.497 -6.880 4.336 1.00 0.00 C ATOM 843 CD1 TYR C 65 4.378 -7.587 3.146 1.00 0.00 C ATOM 844 CD2 TYR C 65 3.392 -6.276 4.908 1.00 0.00 C ATOM 845 CE1 TYR C 65 3.133 -7.692 2.526 1.00 0.00 C ATOM 846 CE2 TYR C 65 2.151 -6.316 4.270 1.00 0.00 C ATOM 847 CZ TYR C 65 2.041 -6.998 3.055 1.00 0.00 C ATOM 848 OH TYR C 65 0.826 -7.084 2.464 1.00 0.00 O ATOM 0 H TYR C 65 5.601 -7.393 7.090 1.00 0.00 H new ATOM 0 HA TYR C 65 6.571 -8.609 4.808 1.00 0.00 H new ATOM 0 HB2 TYR C 65 5.615 -5.932 5.859 1.00 0.00 H new ATOM 0 HB3 TYR C 65 6.377 -5.916 4.281 1.00 0.00 H new ATOM 0 HD1 TYR C 65 5.246 -8.053 2.703 1.00 0.00 H new ATOM 0 HD2 TYR C 65 3.490 -5.769 5.857 1.00 0.00 H new ATOM 0 HE1 TYR C 65 3.014 -8.304 1.644 1.00 0.00 H new ATOM 0 HE2 TYR C 65 1.292 -5.829 4.707 1.00 0.00 H new ATOM 0 HH TYR C 65 0.236 -7.645 3.009 1.00 0.00 H new ATOM 868 N ALA D 68 6.467 -12.029 5.447 1.00 0.00 N ATOM 869 CA ALA D 68 5.676 -11.437 4.404 1.00 0.00 C ATOM 870 C ALA D 68 4.335 -12.082 4.133 1.00 0.00 C ATOM 871 O ALA D 68 3.723 -11.784 3.134 1.00 0.00 O ATOM 872 CB ALA D 68 6.514 -11.292 3.152 1.00 0.00 C ATOM 0 HA ALA D 68 5.388 -10.454 4.775 1.00 0.00 H new ATOM 0 HB1 ALA D 68 5.913 -10.843 2.362 1.00 0.00 H new ATOM 0 HB2 ALA D 68 7.373 -10.655 3.361 1.00 0.00 H new ATOM 0 HB3 ALA D 68 6.861 -12.274 2.830 1.00 0.00 H new ATOM 878 N LYS D 69 3.814 -12.907 5.036 1.00 0.00 N ATOM 879 CA LYS D 69 2.505 -13.504 4.962 1.00 0.00 C ATOM 880 C LYS D 69 1.329 -12.550 5.039 1.00 0.00 C ATOM 881 O LYS D 69 0.252 -12.941 4.632 1.00 0.00 O ATOM 882 CB LYS D 69 2.363 -14.586 6.014 1.00 0.00 C ATOM 883 CG LYS D 69 3.432 -15.657 6.048 1.00 0.00 C ATOM 884 CD LYS D 69 3.564 -16.387 4.740 1.00 0.00 C ATOM 885 CE LYS D 69 4.588 -17.502 4.773 1.00 0.00 C ATOM 886 NZ LYS D 69 5.917 -17.042 4.936 1.00 0.00 N ATOM 0 H LYS D 69 4.325 -13.184 5.874 1.00 0.00 H new ATOM 0 HA LYS D 69 2.455 -13.921 3.956 1.00 0.00 H new ATOM 0 HB2 LYS D 69 2.334 -14.106 6.992 1.00 0.00 H new ATOM 0 HB3 LYS D 69 1.399 -15.074 5.870 1.00 0.00 H new ATOM 0 HG2 LYS D 69 4.389 -15.202 6.303 1.00 0.00 H new ATOM 0 HG3 LYS D 69 3.199 -16.372 6.837 1.00 0.00 H new ATOM 0 HD2 LYS D 69 2.594 -16.802 4.465 1.00 0.00 H new ATOM 0 HD3 LYS D 69 3.838 -15.675 3.961 1.00 0.00 H new ATOM 0 HE2 LYS D 69 4.345 -18.184 5.588 1.00 0.00 H new ATOM 0 HE3 LYS D 69 4.521 -18.074 3.848 1.00 0.00 H new ATOM 0 HZ1 LYS D 69 6.571 -17.850 4.899 1.00 0.00 H new ATOM 0 HZ2 LYS D 69 6.149 -16.374 4.174 1.00 0.00 H new ATOM 0 HZ3 LYS D 69 6.009 -16.564 5.855 1.00 0.00 H new ATOM 900 N ALA D 70 1.542 -11.309 5.463 1.00 0.00 N ATOM 901 CA ALA D 70 0.594 -10.221 5.423 1.00 0.00 C ATOM 902 C ALA D 70 0.044 -9.865 4.061 1.00 0.00 C ATOM 903 O ALA D 70 -0.704 -8.910 3.928 1.00 0.00 O ATOM 904 CB ALA D 70 1.278 -9.031 6.065 1.00 0.00 C ATOM 0 H ALA D 70 2.436 -11.028 5.866 1.00 0.00 H new ATOM 0 HA ALA D 70 -0.298 -10.541 5.962 1.00 0.00 H new ATOM 0 HB1 ALA D 70 0.601 -8.176 6.061 1.00 0.00 H new ATOM 0 HB2 ALA D 70 1.546 -9.276 7.093 1.00 0.00 H new ATOM 0 HB3 ALA D 70 2.179 -8.783 5.504 1.00 0.00 H new ATOM 910 N ALA D 71 0.460 -10.591 3.032 1.00 0.00 N ATOM 911 CA ALA D 71 0.315 -10.283 1.629 1.00 0.00 C ATOM 912 C ALA D 71 -1.033 -10.626 1.020 1.00 0.00 C ATOM 913 O ALA D 71 -1.218 -10.400 -0.161 1.00 0.00 O ATOM 914 CB ALA D 71 1.483 -10.905 0.891 1.00 0.00 C ATOM 0 H ALA D 71 0.944 -11.477 3.176 1.00 0.00 H new ATOM 0 HA ALA D 71 0.336 -9.198 1.522 1.00 0.00 H new ATOM 0 HB1 ALA D 71 1.398 -10.687 -0.174 1.00 0.00 H new ATOM 0 HB2 ALA D 71 2.416 -10.491 1.273 1.00 0.00 H new ATOM 0 HB3 ALA D 71 1.476 -11.984 1.042 1.00 0.00 H new ATOM 920 N ALA D 72 -1.991 -11.057 1.827 1.00 0.00 N ATOM 921 CA ALA D 72 -3.384 -10.894 1.515 1.00 0.00 C ATOM 922 C ALA D 72 -4.007 -9.833 2.398 1.00 0.00 C ATOM 923 O ALA D 72 -4.501 -8.836 1.902 1.00 0.00 O ATOM 924 CB ALA D 72 -4.089 -12.235 1.574 1.00 0.00 C ATOM 0 H ALA D 72 -1.814 -11.528 2.714 1.00 0.00 H new ATOM 0 HA ALA D 72 -3.497 -10.532 0.493 1.00 0.00 H new ATOM 0 HB1 ALA D 72 -5.144 -12.102 1.336 1.00 0.00 H new ATOM 0 HB2 ALA D 72 -3.637 -12.916 0.852 1.00 0.00 H new ATOM 0 HB3 ALA D 72 -3.993 -12.653 2.576 1.00 0.00 H new ATOM 930 N ALA D 73 -3.922 -9.957 3.718 1.00 0.00 N ATOM 931 CA ALA D 73 -4.652 -9.197 4.704 1.00 0.00 C ATOM 932 C ALA D 73 -4.465 -7.699 4.583 1.00 0.00 C ATOM 933 O ALA D 73 -5.393 -6.947 4.716 1.00 0.00 O ATOM 934 CB ALA D 73 -4.261 -9.693 6.078 1.00 0.00 C ATOM 0 H ALA D 73 -3.297 -10.639 4.147 1.00 0.00 H new ATOM 0 HA ALA D 73 -5.716 -9.358 4.530 1.00 0.00 H new ATOM 0 HB1 ALA D 73 -4.804 -9.129 6.837 1.00 0.00 H new ATOM 0 HB2 ALA D 73 -4.508 -10.751 6.167 1.00 0.00 H new ATOM 0 HB3 ALA D 73 -3.189 -9.557 6.223 1.00 0.00 H new ATOM 940 N ALA D 74 -3.252 -7.242 4.314 1.00 0.00 N ATOM 941 CA ALA D 74 -2.963 -5.830 4.244 1.00 0.00 C ATOM 942 C ALA D 74 -3.371 -5.263 2.902 1.00 0.00 C ATOM 943 O ALA D 74 -3.907 -4.174 2.779 1.00 0.00 O ATOM 944 CB ALA D 74 -1.496 -5.578 4.528 1.00 0.00 C ATOM 0 H ALA D 74 -2.446 -7.843 4.139 1.00 0.00 H new ATOM 0 HA ALA D 74 -3.547 -5.317 5.008 1.00 0.00 H new ATOM 0 HB1 ALA D 74 -1.293 -4.509 4.472 1.00 0.00 H new ATOM 0 HB2 ALA D 74 -1.251 -5.942 5.526 1.00 0.00 H new ATOM 0 HB3 ALA D 74 -0.887 -6.102 3.791 1.00 0.00 H new ATOM 950 N ILE D 75 -3.202 -6.060 1.849 1.00 0.00 N ATOM 951 CA ILE D 75 -3.630 -5.744 0.504 1.00 0.00 C ATOM 952 C ILE D 75 -5.138 -5.698 0.348 1.00 0.00 C ATOM 953 O ILE D 75 -5.676 -4.784 -0.249 1.00 0.00 O ATOM 954 CB ILE D 75 -3.066 -6.772 -0.466 1.00 0.00 C ATOM 955 CG1 ILE D 75 -1.572 -7.008 -0.311 1.00 0.00 C ATOM 956 CG2 ILE D 75 -3.421 -6.325 -1.874 1.00 0.00 C ATOM 957 CD1 ILE D 75 -0.726 -5.756 -0.396 1.00 0.00 C ATOM 0 H ILE D 75 -2.748 -6.971 1.919 1.00 0.00 H new ATOM 0 HA ILE D 75 -3.251 -4.746 0.285 1.00 0.00 H new ATOM 0 HB ILE D 75 -3.515 -7.740 -0.243 1.00 0.00 H new ATOM 0 HG12 ILE D 75 -1.391 -7.489 0.650 1.00 0.00 H new ATOM 0 HG13 ILE D 75 -1.245 -7.705 -1.083 1.00 0.00 H new ATOM 0 HG21 ILE D 75 -3.029 -7.044 -2.594 1.00 0.00 H new ATOM 0 HG22 ILE D 75 -4.505 -6.265 -1.974 1.00 0.00 H new ATOM 0 HG23 ILE D 75 -2.984 -5.345 -2.066 1.00 0.00 H new ATOM 0 HD11 ILE D 75 0.325 -6.018 -0.275 1.00 0.00 H new ATOM 0 HD12 ILE D 75 -0.873 -5.283 -1.367 1.00 0.00 H new ATOM 0 HD13 ILE D 75 -1.020 -5.064 0.393 1.00 0.00 H new ATOM 969 N LYS D 76 -5.847 -6.664 0.917 1.00 0.00 N ATOM 970 CA LYS D 76 -7.282 -6.807 0.837 1.00 0.00 C ATOM 971 C LYS D 76 -8.012 -5.676 1.531 1.00 0.00 C ATOM 972 O LYS D 76 -9.080 -5.286 1.092 1.00 0.00 O ATOM 973 CB LYS D 76 -7.663 -8.140 1.456 1.00 0.00 C ATOM 974 CG LYS D 76 -7.495 -9.267 0.464 1.00 0.00 C ATOM 975 CD LYS D 76 -8.071 -10.531 1.011 1.00 0.00 C ATOM 976 CE LYS D 76 -7.923 -11.716 0.110 1.00 0.00 C ATOM 977 NZ LYS D 76 -8.573 -11.588 -1.108 1.00 0.00 N ATOM 0 H LYS D 76 -5.410 -7.400 1.471 1.00 0.00 H new ATOM 0 HA LYS D 76 -7.578 -6.770 -0.211 1.00 0.00 H new ATOM 0 HB2 LYS D 76 -7.044 -8.328 2.333 1.00 0.00 H new ATOM 0 HB3 LYS D 76 -8.697 -8.103 1.798 1.00 0.00 H new ATOM 0 HG2 LYS D 76 -7.988 -9.011 -0.474 1.00 0.00 H new ATOM 0 HG3 LYS D 76 -6.438 -9.409 0.240 1.00 0.00 H new ATOM 0 HD2 LYS D 76 -7.591 -10.752 1.964 1.00 0.00 H new ATOM 0 HD3 LYS D 76 -9.130 -10.375 1.216 1.00 0.00 H new ATOM 0 HE2 LYS D 76 -6.863 -11.889 -0.073 1.00 0.00 H new ATOM 0 HE3 LYS D 76 -8.306 -12.598 0.623 1.00 0.00 H new ATOM 0 HZ1 LYS D 76 -8.509 -12.484 -1.631 1.00 0.00 H new ATOM 0 HZ2 LYS D 76 -9.573 -11.353 -0.945 1.00 0.00 H new ATOM 0 HZ3 LYS D 76 -8.125 -10.831 -1.663 1.00 0.00 H new ATOM 991 N ALA D 77 -7.405 -5.134 2.578 1.00 0.00 N ATOM 992 CA ALA D 77 -7.727 -3.822 3.092 1.00 0.00 C ATOM 993 C ALA D 77 -7.553 -2.763 2.021 1.00 0.00 C ATOM 994 O ALA D 77 -8.510 -2.149 1.566 1.00 0.00 O ATOM 995 CB ALA D 77 -6.967 -3.604 4.385 1.00 0.00 C ATOM 0 H ALA D 77 -6.665 -5.606 3.098 1.00 0.00 H new ATOM 0 HA ALA D 77 -8.782 -3.740 3.355 1.00 0.00 H new ATOM 0 HB1 ALA D 77 -7.202 -2.617 4.783 1.00 0.00 H new ATOM 0 HB2 ALA D 77 -7.256 -4.365 5.110 1.00 0.00 H new ATOM 0 HB3 ALA D 77 -5.896 -3.673 4.194 1.00 0.00 H new ATOM 1001 N ILE D 78 -6.334 -2.547 1.534 1.00 0.00 N ATOM 1002 CA ILE D 78 -5.989 -1.369 0.772 1.00 0.00 C ATOM 1003 C ILE D 78 -6.663 -1.385 -0.588 1.00 0.00 C ATOM 1004 O ILE D 78 -7.235 -0.375 -0.971 1.00 0.00 O ATOM 1005 CB ILE D 78 -4.500 -1.056 0.793 1.00 0.00 C ATOM 1006 CG1 ILE D 78 -4.355 0.434 0.988 1.00 0.00 C ATOM 1007 CG2 ILE D 78 -3.772 -1.585 -0.423 1.00 0.00 C ATOM 1008 CD1 ILE D 78 -2.946 0.990 0.990 1.00 0.00 C ATOM 0 H ILE D 78 -5.557 -3.195 1.663 1.00 0.00 H new ATOM 0 HA ILE D 78 -6.406 -0.495 1.272 1.00 0.00 H new ATOM 0 HB ILE D 78 -4.017 -1.575 1.621 1.00 0.00 H new ATOM 0 HG12 ILE D 78 -4.917 0.936 0.200 1.00 0.00 H new ATOM 0 HG13 ILE D 78 -4.826 0.700 1.934 1.00 0.00 H new ATOM 0 HG21 ILE D 78 -2.714 -1.332 -0.353 1.00 0.00 H new ATOM 0 HG22 ILE D 78 -3.883 -2.668 -0.471 1.00 0.00 H new ATOM 0 HG23 ILE D 78 -4.193 -1.137 -1.323 1.00 0.00 H new ATOM 0 HD11 ILE D 78 -2.981 2.069 1.139 1.00 0.00 H new ATOM 0 HD12 ILE D 78 -2.375 0.531 1.797 1.00 0.00 H new ATOM 0 HD13 ILE D 78 -2.467 0.770 0.036 1.00 0.00 H new ATOM 1020 N ALA D 79 -6.727 -2.519 -1.282 1.00 0.00 N ATOM 1021 CA ALA D 79 -7.407 -2.583 -2.553 1.00 0.00 C ATOM 1022 C ALA D 79 -8.901 -2.332 -2.498 1.00 0.00 C ATOM 1023 O ALA D 79 -9.500 -1.964 -3.493 1.00 0.00 O ATOM 1024 CB ALA D 79 -7.130 -3.933 -3.193 1.00 0.00 C ATOM 0 H ALA D 79 -6.313 -3.400 -0.977 1.00 0.00 H new ATOM 0 HA ALA D 79 -7.007 -1.765 -3.151 1.00 0.00 H new ATOM 0 HB1 ALA D 79 -7.640 -3.991 -4.155 1.00 0.00 H new ATOM 0 HB2 ALA D 79 -6.057 -4.051 -3.344 1.00 0.00 H new ATOM 0 HB3 ALA D 79 -7.494 -4.727 -2.541 1.00 0.00 H new ATOM 1030 N ALA D 80 -9.515 -2.532 -1.339 1.00 0.00 N ATOM 1031 CA ALA D 80 -10.912 -2.266 -1.082 1.00 0.00 C ATOM 1032 C ALA D 80 -11.134 -0.839 -0.623 1.00 0.00 C ATOM 1033 O ALA D 80 -12.076 -0.178 -1.038 1.00 0.00 O ATOM 1034 CB ALA D 80 -11.447 -3.281 -0.086 1.00 0.00 C ATOM 0 H ALA D 80 -9.027 -2.900 -0.522 1.00 0.00 H new ATOM 0 HA ALA D 80 -11.470 -2.373 -2.012 1.00 0.00 H new ATOM 0 HB1 ALA D 80 -12.501 -3.080 0.108 1.00 0.00 H new ATOM 0 HB2 ALA D 80 -11.338 -4.285 -0.496 1.00 0.00 H new ATOM 0 HB3 ALA D 80 -10.886 -3.207 0.846 1.00 0.00 H new ATOM 1040 N ILE D 81 -10.198 -0.323 0.169 1.00 0.00 N ATOM 1041 CA ILE D 81 -10.131 1.058 0.591 1.00 0.00 C ATOM 1042 C ILE D 81 -9.873 1.983 -0.583 1.00 0.00 C ATOM 1043 O ILE D 81 -10.447 3.062 -0.643 1.00 0.00 O ATOM 1044 CB ILE D 81 -9.138 1.186 1.734 1.00 0.00 C ATOM 1045 CG1 ILE D 81 -9.632 0.489 2.976 1.00 0.00 C ATOM 1046 CG2 ILE D 81 -8.813 2.621 2.075 1.00 0.00 C ATOM 1047 CD1 ILE D 81 -8.534 0.127 3.955 1.00 0.00 C ATOM 0 H ILE D 81 -9.436 -0.887 0.546 1.00 0.00 H new ATOM 0 HA ILE D 81 -11.096 1.382 0.981 1.00 0.00 H new ATOM 0 HB ILE D 81 -8.226 0.706 1.380 1.00 0.00 H new ATOM 0 HG12 ILE D 81 -10.355 1.132 3.478 1.00 0.00 H new ATOM 0 HG13 ILE D 81 -10.160 -0.419 2.685 1.00 0.00 H new ATOM 0 HG21 ILE D 81 -8.099 2.647 2.898 1.00 0.00 H new ATOM 0 HG22 ILE D 81 -8.380 3.113 1.204 1.00 0.00 H new ATOM 0 HG23 ILE D 81 -9.725 3.141 2.369 1.00 0.00 H new ATOM 0 HD11 ILE D 81 -8.969 -0.371 4.822 1.00 0.00 H new ATOM 0 HD12 ILE D 81 -7.822 -0.542 3.472 1.00 0.00 H new ATOM 0 HD13 ILE D 81 -8.020 1.033 4.277 1.00 0.00 H new ATOM 1059 N ILE D 82 -9.054 1.578 -1.547 1.00 0.00 N ATOM 1060 CA ILE D 82 -8.787 2.273 -2.784 1.00 0.00 C ATOM 1061 C ILE D 82 -10.050 2.467 -3.601 1.00 0.00 C ATOM 1062 O ILE D 82 -10.363 3.572 -4.000 1.00 0.00 O ATOM 1063 CB ILE D 82 -7.717 1.560 -3.597 1.00 0.00 C ATOM 1064 CG1 ILE D 82 -6.378 1.841 -2.935 1.00 0.00 C ATOM 1065 CG2 ILE D 82 -7.644 2.046 -5.035 1.00 0.00 C ATOM 1066 CD1 ILE D 82 -5.175 1.104 -3.494 1.00 0.00 C ATOM 0 H ILE D 82 -8.532 0.704 -1.474 1.00 0.00 H new ATOM 0 HA ILE D 82 -8.409 3.262 -2.524 1.00 0.00 H new ATOM 0 HB ILE D 82 -7.963 0.498 -3.623 1.00 0.00 H new ATOM 0 HG12 ILE D 82 -6.183 2.911 -3.002 1.00 0.00 H new ATOM 0 HG13 ILE D 82 -6.464 1.598 -1.876 1.00 0.00 H new ATOM 0 HG21 ILE D 82 -6.863 1.500 -5.564 1.00 0.00 H new ATOM 0 HG22 ILE D 82 -8.602 1.875 -5.526 1.00 0.00 H new ATOM 0 HG23 ILE D 82 -7.415 3.112 -5.048 1.00 0.00 H new ATOM 0 HD11 ILE D 82 -4.282 1.390 -2.938 1.00 0.00 H new ATOM 0 HD12 ILE D 82 -5.331 0.029 -3.401 1.00 0.00 H new ATOM 0 HD13 ILE D 82 -5.046 1.363 -4.545 1.00 0.00 H new ATOM 1078 N LYS D 83 -10.793 1.386 -3.802 1.00 0.00 N ATOM 1079 CA LYS D 83 -12.061 1.352 -4.492 1.00 0.00 C ATOM 1080 C LYS D 83 -13.169 2.166 -3.872 1.00 0.00 C ATOM 1081 O LYS D 83 -13.969 2.740 -4.566 1.00 0.00 O ATOM 1082 CB LYS D 83 -12.444 -0.098 -4.650 1.00 0.00 C ATOM 1083 CG LYS D 83 -11.608 -0.796 -5.702 1.00 0.00 C ATOM 1084 CD LYS D 83 -11.995 -2.244 -5.821 1.00 0.00 C ATOM 1085 CE LYS D 83 -11.039 -3.022 -6.696 1.00 0.00 C ATOM 1086 NZ LYS D 83 -9.849 -3.411 -5.992 1.00 0.00 N ATOM 0 H LYS D 83 -10.506 0.466 -3.468 1.00 0.00 H new ATOM 0 HA LYS D 83 -11.925 1.842 -5.456 1.00 0.00 H new ATOM 0 HB2 LYS D 83 -12.326 -0.610 -3.695 1.00 0.00 H new ATOM 0 HB3 LYS D 83 -13.498 -0.167 -4.920 1.00 0.00 H new ATOM 0 HG2 LYS D 83 -11.739 -0.300 -6.664 1.00 0.00 H new ATOM 0 HG3 LYS D 83 -10.552 -0.718 -5.444 1.00 0.00 H new ATOM 0 HD2 LYS D 83 -12.023 -2.693 -4.828 1.00 0.00 H new ATOM 0 HD3 LYS D 83 -13.002 -2.316 -6.232 1.00 0.00 H new ATOM 0 HE2 LYS D 83 -11.541 -3.912 -7.077 1.00 0.00 H new ATOM 0 HE3 LYS D 83 -10.766 -2.416 -7.560 1.00 0.00 H new ATOM 0 HZ1 LYS D 83 -9.017 -3.222 -6.586 1.00 0.00 H new ATOM 0 HZ2 LYS D 83 -9.775 -2.867 -5.109 1.00 0.00 H new ATOM 0 HZ3 LYS D 83 -9.893 -4.426 -5.771 1.00 0.00 H new ATOM 1100 N ALA D 84 -13.142 2.313 -2.567 1.00 0.00 N ATOM 1101 CA ALA D 84 -13.963 3.216 -1.803 1.00 0.00 C ATOM 1102 C ALA D 84 -13.452 4.637 -1.732 1.00 0.00 C ATOM 1103 O ALA D 84 -14.190 5.549 -1.441 1.00 0.00 O ATOM 1104 CB ALA D 84 -14.197 2.661 -0.419 1.00 0.00 C ATOM 0 H ALA D 84 -12.508 1.772 -1.979 1.00 0.00 H new ATOM 0 HA ALA D 84 -14.906 3.285 -2.345 1.00 0.00 H new ATOM 0 HB1 ALA D 84 -14.819 3.352 0.150 1.00 0.00 H new ATOM 0 HB2 ALA D 84 -14.701 1.697 -0.494 1.00 0.00 H new ATOM 0 HB3 ALA D 84 -13.241 2.532 0.088 1.00 0.00 H new ATOM 1110 N GLY D 85 -12.166 4.835 -1.931 1.00 0.00 N ATOM 1111 CA GLY D 85 -11.383 5.988 -1.609 1.00 0.00 C ATOM 1112 C GLY D 85 -11.243 7.008 -2.713 1.00 0.00 C ATOM 1113 O GLY D 85 -10.989 8.127 -2.441 1.00 0.00 O ATOM 0 H GLY D 85 -11.594 4.112 -2.368 1.00 0.00 H new ATOM 0 HA2 GLY D 85 -11.827 6.476 -0.741 1.00 0.00 H new ATOM 0 HA3 GLY D 85 -10.387 5.658 -1.314 1.00 0.00 H new ATOM 1117 N GLY D 86 -11.413 6.639 -3.943 1.00 0.00 N ATOM 1118 CA GLY D 86 -11.267 7.520 -5.069 1.00 0.00 C ATOM 1119 C GLY D 86 -9.869 8.014 -5.342 1.00 0.00 C ATOM 1120 O GLY D 86 -9.675 9.146 -5.674 1.00 0.00 O ATOM 0 H GLY D 86 -11.666 5.686 -4.205 1.00 0.00 H new ATOM 0 HA2 GLY D 86 -11.629 7.005 -5.958 1.00 0.00 H new ATOM 0 HA3 GLY D 86 -11.913 8.384 -4.916 1.00 0.00 H new ATOM 1124 N TYR D 87 -8.857 7.200 -5.151 1.00 0.00 N ATOM 1125 CA TYR D 87 -7.484 7.504 -5.421 1.00 0.00 C ATOM 1126 C TYR D 87 -7.157 7.681 -6.883 1.00 0.00 C ATOM 1127 O TYR D 87 -6.170 8.246 -7.242 1.00 0.00 O ATOM 1128 CB TYR D 87 -6.665 6.369 -4.836 1.00 0.00 C ATOM 1129 CG TYR D 87 -6.268 6.469 -3.389 1.00 0.00 C ATOM 1130 CD1 TYR D 87 -5.311 7.352 -2.902 1.00 0.00 C ATOM 1131 CD2 TYR D 87 -6.692 5.413 -2.595 1.00 0.00 C ATOM 1132 CE1 TYR D 87 -4.794 7.166 -1.620 1.00 0.00 C ATOM 1133 CE2 TYR D 87 -6.163 5.191 -1.322 1.00 0.00 C ATOM 1134 CZ TYR D 87 -5.203 6.082 -0.838 1.00 0.00 C ATOM 1135 OH TYR D 87 -4.700 5.911 0.409 1.00 0.00 O ATOM 0 H TYR D 87 -8.984 6.257 -4.782 1.00 0.00 H new ATOM 0 HA TYR D 87 -7.253 8.469 -4.969 1.00 0.00 H new ATOM 0 HB2 TYR D 87 -7.230 5.446 -4.966 1.00 0.00 H new ATOM 0 HB3 TYR D 87 -5.755 6.272 -5.428 1.00 0.00 H new ATOM 0 HD1 TYR D 87 -4.970 8.176 -3.512 1.00 0.00 H new ATOM 0 HD2 TYR D 87 -7.452 4.745 -2.972 1.00 0.00 H new ATOM 0 HE1 TYR D 87 -4.071 7.866 -1.228 1.00 0.00 H new ATOM 0 HE2 TYR D 87 -6.488 4.351 -0.726 1.00 0.00 H new ATOM 0 HH TYR D 87 -5.380 6.153 1.072 1.00 0.00 H new