USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 587 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 TYR OH : rot 73:sc= 0.46 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 79:sc= 1.06 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 79:sc= 0.954 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 92:sc= -0.399 USER MOD ----------------------------------------------------------------- ATOM 17 N LYS A 3 0.422 14.482 -1.363 1.00 0.00 N ATOM 18 CA LYS A 3 1.162 14.434 -2.592 1.00 0.00 C ATOM 19 C LYS A 3 1.975 13.187 -2.830 1.00 0.00 C ATOM 20 O LYS A 3 2.206 12.820 -3.952 1.00 0.00 O ATOM 21 CB LYS A 3 2.104 15.587 -2.714 1.00 0.00 C ATOM 22 CG LYS A 3 1.596 16.983 -2.434 1.00 0.00 C ATOM 23 CD LYS A 3 0.472 17.375 -3.322 1.00 0.00 C ATOM 24 CE LYS A 3 -0.010 18.749 -2.995 1.00 0.00 C ATOM 25 NZ LYS A 3 -1.000 18.861 -2.417 1.00 0.00 N ATOM 0 HA LYS A 3 0.369 14.461 -3.339 1.00 0.00 H new ATOM 0 HB2 LYS A 3 2.941 15.401 -2.041 1.00 0.00 H new ATOM 0 HB3 LYS A 3 2.503 15.580 -3.728 1.00 0.00 H new ATOM 0 HG2 LYS A 3 1.271 17.045 -1.395 1.00 0.00 H new ATOM 0 HG3 LYS A 3 2.414 17.693 -2.555 1.00 0.00 H new ATOM 0 HD2 LYS A 3 0.795 17.336 -4.362 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -0.346 16.663 -3.215 1.00 0.00 H new ATOM 0 HE2 LYS A 3 0.770 19.245 -2.417 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -0.109 19.297 -3.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -1.201 19.870 -2.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -1.773 18.432 -2.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -0.921 18.382 -1.497 1.00 0.00 H new ATOM 39 N ALA A 4 2.316 12.451 -1.782 1.00 0.00 N ATOM 40 CA ALA A 4 2.908 11.135 -1.803 1.00 0.00 C ATOM 41 C ALA A 4 2.022 10.082 -2.443 1.00 0.00 C ATOM 42 O ALA A 4 2.470 8.963 -2.669 1.00 0.00 O ATOM 43 CB ALA A 4 3.226 10.759 -0.368 1.00 0.00 C ATOM 0 H ALA A 4 2.173 12.788 -0.830 1.00 0.00 H new ATOM 0 HA ALA A 4 3.806 11.169 -2.420 1.00 0.00 H new ATOM 0 HB1 ALA A 4 3.677 9.767 -0.343 1.00 0.00 H new ATOM 0 HB2 ALA A 4 3.923 11.484 0.052 1.00 0.00 H new ATOM 0 HB3 ALA A 4 2.308 10.755 0.219 1.00 0.00 H new ATOM 49 N ALA A 5 0.767 10.403 -2.753 1.00 0.00 N ATOM 50 CA ALA A 5 -0.263 9.477 -3.164 1.00 0.00 C ATOM 51 C ALA A 5 0.038 8.780 -4.479 1.00 0.00 C ATOM 52 O ALA A 5 0.595 7.693 -4.446 1.00 0.00 O ATOM 53 CB ALA A 5 -1.632 10.111 -2.996 1.00 0.00 C ATOM 0 H ALA A 5 0.434 11.367 -2.720 1.00 0.00 H new ATOM 0 HA ALA A 5 -0.276 8.620 -2.491 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -2.401 9.405 -3.309 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -1.785 10.374 -1.949 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -1.694 11.010 -3.609 1.00 0.00 H new ATOM 59 N ALA A 6 -0.280 9.347 -5.640 1.00 0.00 N ATOM 60 CA ALA A 6 -0.127 8.660 -6.899 1.00 0.00 C ATOM 61 C ALA A 6 1.272 8.134 -7.155 1.00 0.00 C ATOM 62 O ALA A 6 1.428 7.062 -7.717 1.00 0.00 O ATOM 63 CB ALA A 6 -0.655 9.577 -7.987 1.00 0.00 C ATOM 0 H ALA A 6 -0.649 10.294 -5.724 1.00 0.00 H new ATOM 0 HA ALA A 6 -0.714 7.742 -6.883 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -0.554 9.088 -8.956 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -1.706 9.797 -7.799 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -0.084 10.506 -7.989 1.00 0.00 H new ATOM 69 N ALA A 7 2.313 8.802 -6.671 1.00 0.00 N ATOM 70 CA ALA A 7 3.695 8.388 -6.766 1.00 0.00 C ATOM 71 C ALA A 7 4.057 7.052 -6.152 1.00 0.00 C ATOM 72 O ALA A 7 5.020 6.421 -6.550 1.00 0.00 O ATOM 73 CB ALA A 7 4.614 9.484 -6.268 1.00 0.00 C ATOM 0 H ALA A 7 2.203 9.689 -6.179 1.00 0.00 H new ATOM 0 HA ALA A 7 3.842 8.218 -7.833 1.00 0.00 H new ATOM 0 HB1 ALA A 7 5.650 9.154 -6.347 1.00 0.00 H new ATOM 0 HB2 ALA A 7 4.471 10.380 -6.871 1.00 0.00 H new ATOM 0 HB3 ALA A 7 4.383 9.707 -5.226 1.00 0.00 H new ATOM 79 N ALA A 8 3.216 6.586 -5.241 1.00 0.00 N ATOM 80 CA ALA A 8 3.100 5.185 -4.925 1.00 0.00 C ATOM 81 C ALA A 8 1.879 4.567 -5.576 1.00 0.00 C ATOM 82 O ALA A 8 1.979 3.659 -6.388 1.00 0.00 O ATOM 83 CB ALA A 8 3.082 4.957 -3.423 1.00 0.00 C ATOM 0 H ALA A 8 2.591 7.183 -4.699 1.00 0.00 H new ATOM 0 HA ALA A 8 3.982 4.689 -5.331 1.00 0.00 H new ATOM 0 HB1 ALA A 8 2.994 3.890 -3.218 1.00 0.00 H new ATOM 0 HB2 ALA A 8 4.006 5.335 -2.986 1.00 0.00 H new ATOM 0 HB3 ALA A 8 2.233 5.482 -2.985 1.00 0.00 H new ATOM 89 N ILE A 9 0.692 5.005 -5.160 1.00 0.00 N ATOM 90 CA ILE A 9 -0.550 4.289 -5.339 1.00 0.00 C ATOM 91 C ILE A 9 -0.893 4.015 -6.792 1.00 0.00 C ATOM 92 O ILE A 9 -1.481 2.980 -7.077 1.00 0.00 O ATOM 93 CB ILE A 9 -1.677 5.071 -4.679 1.00 0.00 C ATOM 94 CG1 ILE A 9 -1.394 5.484 -3.241 1.00 0.00 C ATOM 95 CG2 ILE A 9 -2.978 4.298 -4.703 1.00 0.00 C ATOM 96 CD1 ILE A 9 -1.106 4.364 -2.286 1.00 0.00 C ATOM 0 H ILE A 9 0.575 5.895 -4.676 1.00 0.00 H new ATOM 0 HA ILE A 9 -0.425 3.314 -4.869 1.00 0.00 H new ATOM 0 HB ILE A 9 -1.757 5.979 -5.276 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -0.544 6.166 -3.239 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -2.252 6.043 -2.868 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -3.760 4.887 -4.223 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -3.260 4.093 -5.736 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -2.852 3.357 -4.167 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -0.919 4.772 -1.293 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -1.962 3.690 -2.247 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -0.227 3.815 -2.624 1.00 0.00 H new ATOM 108 N LYS A 10 -0.470 4.887 -7.705 1.00 0.00 N ATOM 109 CA LYS A 10 -0.783 4.780 -9.110 1.00 0.00 C ATOM 110 C LYS A 10 -0.009 3.661 -9.779 1.00 0.00 C ATOM 111 O LYS A 10 -0.595 2.875 -10.506 1.00 0.00 O ATOM 112 CB LYS A 10 -0.555 6.141 -9.749 1.00 0.00 C ATOM 113 CG LYS A 10 -1.357 6.463 -11.001 1.00 0.00 C ATOM 114 CD LYS A 10 -0.734 6.094 -12.317 1.00 0.00 C ATOM 115 CE LYS A 10 0.440 6.907 -12.629 1.00 0.00 C ATOM 116 NZ LYS A 10 1.101 6.492 -13.832 1.00 0.00 N ATOM 0 H LYS A 10 0.108 5.696 -7.476 1.00 0.00 H new ATOM 0 HA LYS A 10 -1.829 4.504 -9.244 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -0.772 6.905 -9.003 1.00 0.00 H new ATOM 0 HB3 LYS A 10 0.504 6.226 -9.994 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -2.320 5.957 -10.927 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -1.559 7.534 -11.009 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -0.449 5.042 -12.298 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -1.473 6.209 -13.110 1.00 0.00 H new ATOM 0 HE2 LYS A 10 0.138 7.950 -12.727 1.00 0.00 H new ATOM 0 HE3 LYS A 10 1.143 6.856 -11.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 1.925 7.103 -14.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 1.416 5.506 -13.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 0.442 6.566 -14.633 1.00 0.00 H new ATOM 130 N ALA A 11 1.273 3.528 -9.450 1.00 0.00 N ATOM 131 CA ALA A 11 2.066 2.360 -9.765 1.00 0.00 C ATOM 132 C ALA A 11 1.583 1.147 -8.996 1.00 0.00 C ATOM 133 O ALA A 11 1.435 0.090 -9.589 1.00 0.00 O ATOM 134 CB ALA A 11 3.526 2.641 -9.448 1.00 0.00 C ATOM 0 H ALA A 11 1.793 4.247 -8.947 1.00 0.00 H new ATOM 0 HA ALA A 11 1.960 2.142 -10.828 1.00 0.00 H new ATOM 0 HB1 ALA A 11 4.125 1.762 -9.685 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.871 3.487 -10.043 1.00 0.00 H new ATOM 0 HB3 ALA A 11 3.630 2.876 -8.389 1.00 0.00 H new ATOM 140 N ILE A 12 1.267 1.265 -7.706 1.00 0.00 N ATOM 141 CA ILE A 12 0.996 0.153 -6.824 1.00 0.00 C ATOM 142 C ILE A 12 -0.342 -0.485 -7.159 1.00 0.00 C ATOM 143 O ILE A 12 -0.394 -1.706 -7.233 1.00 0.00 O ATOM 144 CB ILE A 12 1.138 0.551 -5.364 1.00 0.00 C ATOM 145 CG1 ILE A 12 2.576 0.860 -4.996 1.00 0.00 C ATOM 146 CG2 ILE A 12 0.566 -0.463 -4.403 1.00 0.00 C ATOM 147 CD1 ILE A 12 3.577 -0.201 -4.984 1.00 0.00 C ATOM 0 H ILE A 12 1.193 2.170 -7.241 1.00 0.00 H new ATOM 0 HA ILE A 12 1.750 -0.617 -6.987 1.00 0.00 H new ATOM 0 HB ILE A 12 0.545 1.460 -5.263 1.00 0.00 H new ATOM 0 HG12 ILE A 12 2.928 1.628 -5.685 1.00 0.00 H new ATOM 0 HG13 ILE A 12 2.566 1.305 -4.001 1.00 0.00 H new ATOM 0 HG21 ILE A 12 0.703 -0.112 -3.380 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -0.498 -0.594 -4.602 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.079 -1.416 -4.532 1.00 0.00 H new ATOM 0 HD11 ILE A 12 4.543 0.214 -4.697 1.00 0.00 H new ATOM 0 HD12 ILE A 12 3.285 -0.969 -4.268 1.00 0.00 H new ATOM 0 HD13 ILE A 12 3.652 -0.642 -5.978 1.00 0.00 H new ATOM 159 N ALA A 13 -1.397 0.266 -7.469 1.00 0.00 N ATOM 160 CA ALA A 13 -2.648 -0.345 -7.855 1.00 0.00 C ATOM 161 C ALA A 13 -2.599 -1.110 -9.164 1.00 0.00 C ATOM 162 O ALA A 13 -3.395 -2.014 -9.354 1.00 0.00 O ATOM 163 CB ALA A 13 -3.698 0.740 -7.836 1.00 0.00 C ATOM 0 H ALA A 13 -1.403 1.286 -7.458 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.897 -1.128 -7.139 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.662 0.319 -8.123 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.769 1.160 -6.833 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -3.422 1.526 -8.539 1.00 0.00 H new ATOM 169 N ALA A 14 -1.614 -0.837 -10.011 1.00 0.00 N ATOM 170 CA ALA A 14 -1.277 -1.647 -11.159 1.00 0.00 C ATOM 171 C ALA A 14 -0.391 -2.830 -10.798 1.00 0.00 C ATOM 172 O ALA A 14 -0.657 -3.949 -11.220 1.00 0.00 O ATOM 173 CB ALA A 14 -0.643 -0.755 -12.217 1.00 0.00 C ATOM 0 H ALA A 14 -1.013 -0.019 -9.908 1.00 0.00 H new ATOM 0 HA ALA A 14 -2.190 -2.087 -11.561 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -0.383 -1.354 -13.090 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -1.349 0.023 -12.508 1.00 0.00 H new ATOM 0 HB3 ALA A 14 0.258 -0.294 -11.812 1.00 0.00 H new ATOM 179 N ILE A 15 0.599 -2.643 -9.925 1.00 0.00 N ATOM 180 CA ILE A 15 1.528 -3.629 -9.425 1.00 0.00 C ATOM 181 C ILE A 15 0.814 -4.649 -8.557 1.00 0.00 C ATOM 182 O ILE A 15 1.220 -5.790 -8.505 1.00 0.00 O ATOM 183 CB ILE A 15 2.683 -2.948 -8.707 1.00 0.00 C ATOM 184 CG1 ILE A 15 3.632 -2.273 -9.681 1.00 0.00 C ATOM 185 CG2 ILE A 15 3.445 -3.824 -7.725 1.00 0.00 C ATOM 186 CD1 ILE A 15 4.514 -1.190 -9.086 1.00 0.00 C ATOM 0 H ILE A 15 0.777 -1.722 -9.524 1.00 0.00 H new ATOM 0 HA ILE A 15 1.954 -4.180 -10.264 1.00 0.00 H new ATOM 0 HB ILE A 15 2.201 -2.187 -8.093 1.00 0.00 H new ATOM 0 HG12 ILE A 15 4.272 -3.035 -10.126 1.00 0.00 H new ATOM 0 HG13 ILE A 15 3.046 -1.837 -10.490 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.247 -3.245 -7.267 1.00 0.00 H new ATOM 0 HG22 ILE A 15 2.765 -4.178 -6.950 1.00 0.00 H new ATOM 0 HG23 ILE A 15 3.870 -4.678 -8.253 1.00 0.00 H new ATOM 0 HD11 ILE A 15 5.153 -0.773 -9.864 1.00 0.00 H new ATOM 0 HD12 ILE A 15 3.889 -0.401 -8.668 1.00 0.00 H new ATOM 0 HD13 ILE A 15 5.134 -1.618 -8.298 1.00 0.00 H new ATOM 198 N ILE A 16 -0.298 -4.305 -7.921 1.00 0.00 N ATOM 199 CA ILE A 16 -1.155 -5.248 -7.238 1.00 0.00 C ATOM 200 C ILE A 16 -1.673 -6.325 -8.173 1.00 0.00 C ATOM 201 O ILE A 16 -1.504 -7.505 -7.902 1.00 0.00 O ATOM 202 CB ILE A 16 -2.241 -4.474 -6.501 1.00 0.00 C ATOM 203 CG1 ILE A 16 -1.692 -3.847 -5.232 1.00 0.00 C ATOM 204 CG2 ILE A 16 -3.402 -5.391 -6.147 1.00 0.00 C ATOM 205 CD1 ILE A 16 -2.673 -3.165 -4.313 1.00 0.00 C ATOM 0 H ILE A 16 -0.631 -3.342 -7.868 1.00 0.00 H new ATOM 0 HA ILE A 16 -0.586 -5.803 -6.492 1.00 0.00 H new ATOM 0 HB ILE A 16 -2.593 -3.684 -7.164 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -1.185 -4.627 -4.664 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -0.935 -3.117 -5.518 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -4.168 -4.821 -5.621 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -3.825 -5.812 -7.059 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -3.046 -6.198 -5.506 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -2.144 -2.764 -3.449 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -3.166 -2.352 -4.846 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -3.420 -3.885 -3.979 1.00 0.00 H new ATOM 217 N LYS A 17 -2.226 -5.892 -9.300 1.00 0.00 N ATOM 218 CA LYS A 17 -2.696 -6.740 -10.369 1.00 0.00 C ATOM 219 C LYS A 17 -1.599 -7.558 -11.020 1.00 0.00 C ATOM 220 O LYS A 17 -1.738 -8.761 -11.165 1.00 0.00 O ATOM 221 CB LYS A 17 -3.462 -5.899 -11.374 1.00 0.00 C ATOM 222 CG LYS A 17 -4.132 -6.672 -12.476 1.00 0.00 C ATOM 223 CD LYS A 17 -5.159 -7.663 -12.080 1.00 0.00 C ATOM 224 CE LYS A 17 -6.353 -7.013 -11.509 1.00 0.00 C ATOM 225 NZ LYS A 17 -7.374 -7.935 -11.114 1.00 0.00 N ATOM 0 H LYS A 17 -2.361 -4.900 -9.494 1.00 0.00 H new ATOM 0 HA LYS A 17 -3.368 -7.482 -9.936 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -4.220 -5.326 -10.841 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -2.775 -5.181 -11.821 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -4.596 -5.958 -13.156 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -3.359 -7.194 -13.041 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -5.447 -8.255 -12.949 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -4.736 -8.353 -11.350 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -6.055 -6.421 -10.644 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -6.765 -6.320 -12.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -8.182 -7.411 -10.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -7.685 -8.484 -11.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -6.997 -8.581 -10.391 1.00 0.00 H new ATOM 239 N ALA A 18 -0.481 -6.931 -11.374 1.00 0.00 N ATOM 240 CA ALA A 18 0.627 -7.558 -12.052 1.00 0.00 C ATOM 241 C ALA A 18 1.462 -8.444 -11.150 1.00 0.00 C ATOM 242 O ALA A 18 1.908 -9.495 -11.563 1.00 0.00 O ATOM 243 CB ALA A 18 1.461 -6.469 -12.694 1.00 0.00 C ATOM 0 H ALA A 18 -0.326 -5.941 -11.186 1.00 0.00 H new ATOM 0 HA ALA A 18 0.232 -8.232 -12.812 1.00 0.00 H new ATOM 0 HB1 ALA A 18 2.307 -6.918 -13.214 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.850 -5.915 -13.406 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.827 -5.790 -11.924 1.00 0.00 H new ATOM 249 N GLY A 19 1.631 -8.047 -9.898 1.00 0.00 N ATOM 250 CA GLY A 19 2.243 -8.809 -8.840 1.00 0.00 C ATOM 251 C GLY A 19 1.449 -10.051 -8.493 1.00 0.00 C ATOM 252 O GLY A 19 2.042 -11.089 -8.298 1.00 0.00 O ATOM 0 H GLY A 19 1.323 -7.127 -9.583 1.00 0.00 H new ATOM 0 HA2 GLY A 19 3.251 -9.097 -9.139 1.00 0.00 H new ATOM 0 HA3 GLY A 19 2.340 -8.183 -7.953 1.00 0.00 H new ATOM 256 N GLY A 20 0.133 -9.950 -8.411 1.00 0.00 N ATOM 257 CA GLY A 20 -0.779 -11.046 -8.228 1.00 0.00 C ATOM 258 C GLY A 20 -1.141 -11.296 -6.787 1.00 0.00 C ATOM 259 O GLY A 20 -1.122 -12.423 -6.338 1.00 0.00 O ATOM 0 H GLY A 20 -0.344 -9.051 -8.475 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -1.690 -10.848 -8.793 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -0.335 -11.950 -8.644 1.00 0.00 H new ATOM 263 N TYR A 21 -1.415 -10.254 -6.011 1.00 0.00 N ATOM 264 CA TYR A 21 -1.750 -10.317 -4.613 1.00 0.00 C ATOM 265 C TYR A 21 -3.045 -11.025 -4.300 1.00 0.00 C ATOM 266 O TYR A 21 -3.203 -11.562 -3.232 1.00 0.00 O ATOM 267 CB TYR A 21 -1.777 -8.899 -4.076 1.00 0.00 C ATOM 268 CG TYR A 21 -0.475 -8.278 -3.646 1.00 0.00 C ATOM 269 CD1 TYR A 21 0.380 -8.826 -2.710 1.00 0.00 C ATOM 270 CD2 TYR A 21 -0.184 -7.030 -4.169 1.00 0.00 C ATOM 271 CE1 TYR A 21 1.482 -8.095 -2.256 1.00 0.00 C ATOM 272 CE2 TYR A 21 0.907 -6.280 -3.719 1.00 0.00 C ATOM 273 CZ TYR A 21 1.740 -6.820 -2.747 1.00 0.00 C ATOM 274 OH TYR A 21 2.825 -6.110 -2.336 1.00 0.00 O ATOM 0 H TYR A 21 -1.406 -9.299 -6.368 1.00 0.00 H new ATOM 0 HA TYR A 21 -0.986 -10.922 -4.126 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -2.213 -8.260 -4.844 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -2.454 -8.879 -3.222 1.00 0.00 H new ATOM 0 HD1 TYR A 21 0.197 -9.820 -2.329 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -0.816 -6.625 -4.945 1.00 0.00 H new ATOM 0 HE1 TYR A 21 2.140 -8.525 -1.516 1.00 0.00 H new ATOM 0 HE2 TYR A 21 1.099 -5.296 -4.121 1.00 0.00 H new ATOM 0 HH TYR A 21 3.636 -6.497 -2.727 1.00 0.00 H new ATOM 294 N ALA B 24 2.331 -14.067 -1.577 1.00 0.00 N ATOM 295 CA ALA B 24 2.828 -13.928 -2.874 1.00 0.00 C ATOM 296 C ALA B 24 4.004 -13.000 -2.998 1.00 0.00 C ATOM 297 O ALA B 24 4.120 -12.038 -2.267 1.00 0.00 O ATOM 298 CB ALA B 24 1.713 -13.517 -3.721 1.00 0.00 C ATOM 0 HA ALA B 24 3.234 -14.888 -3.194 1.00 0.00 H new ATOM 0 HB1 ALA B 24 2.061 -13.397 -4.747 1.00 0.00 H new ATOM 0 HB2 ALA B 24 0.932 -14.277 -3.689 1.00 0.00 H new ATOM 0 HB3 ALA B 24 1.312 -12.570 -3.360 1.00 0.00 H new ATOM 304 N LYS B 25 4.855 -13.237 -3.971 1.00 0.00 N ATOM 305 CA LYS B 25 6.068 -12.499 -4.208 1.00 0.00 C ATOM 306 C LYS B 25 5.897 -11.071 -4.650 1.00 0.00 C ATOM 307 O LYS B 25 6.831 -10.294 -4.569 1.00 0.00 O ATOM 308 CB LYS B 25 6.877 -13.208 -5.262 1.00 0.00 C ATOM 309 CG LYS B 25 7.498 -14.520 -4.879 1.00 0.00 C ATOM 310 CD LYS B 25 8.619 -14.448 -3.894 1.00 0.00 C ATOM 311 CE LYS B 25 9.759 -13.631 -4.384 1.00 0.00 C ATOM 312 NZ LYS B 25 10.861 -13.880 -3.975 1.00 0.00 N ATOM 0 H LYS B 25 4.710 -13.986 -4.649 1.00 0.00 H new ATOM 0 HA LYS B 25 6.559 -12.459 -3.236 1.00 0.00 H new ATOM 0 HB2 LYS B 25 6.234 -13.377 -6.125 1.00 0.00 H new ATOM 0 HB3 LYS B 25 7.674 -12.538 -5.585 1.00 0.00 H new ATOM 0 HG2 LYS B 25 6.719 -15.162 -4.468 1.00 0.00 H new ATOM 0 HG3 LYS B 25 7.866 -15.004 -5.784 1.00 0.00 H new ATOM 0 HD2 LYS B 25 8.250 -14.026 -2.959 1.00 0.00 H new ATOM 0 HD3 LYS B 25 8.968 -15.456 -3.672 1.00 0.00 H new ATOM 0 HE2 LYS B 25 9.783 -13.713 -5.471 1.00 0.00 H new ATOM 0 HE3 LYS B 25 9.545 -12.589 -4.148 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 11.547 -13.228 -4.406 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 10.881 -13.769 -2.941 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 11.110 -14.859 -4.223 1.00 0.00 H new ATOM 326 N ALA B 26 4.687 -10.661 -5.011 1.00 0.00 N ATOM 327 CA ALA B 26 4.295 -9.276 -5.077 1.00 0.00 C ATOM 328 C ALA B 26 4.632 -8.463 -3.842 1.00 0.00 C ATOM 329 O ALA B 26 4.718 -7.246 -3.898 1.00 0.00 O ATOM 330 CB ALA B 26 2.795 -9.242 -5.292 1.00 0.00 C ATOM 0 H ALA B 26 3.940 -11.305 -5.270 1.00 0.00 H new ATOM 0 HA ALA B 26 4.857 -8.819 -5.892 1.00 0.00 H new ATOM 0 HB1 ALA B 26 2.459 -8.207 -5.347 1.00 0.00 H new ATOM 0 HB2 ALA B 26 2.549 -9.754 -6.222 1.00 0.00 H new ATOM 0 HB3 ALA B 26 2.297 -9.741 -4.461 1.00 0.00 H new ATOM 336 N ALA B 27 4.883 -9.127 -2.719 1.00 0.00 N ATOM 337 CA ALA B 27 5.043 -8.545 -1.412 1.00 0.00 C ATOM 338 C ALA B 27 6.288 -7.683 -1.338 1.00 0.00 C ATOM 339 O ALA B 27 6.218 -6.491 -1.576 1.00 0.00 O ATOM 340 CB ALA B 27 4.912 -9.648 -0.379 1.00 0.00 C ATOM 0 H ALA B 27 4.984 -10.142 -2.707 1.00 0.00 H new ATOM 0 HA ALA B 27 4.251 -7.831 -1.186 1.00 0.00 H new ATOM 0 HB1 ALA B 27 5.030 -9.227 0.620 1.00 0.00 H new ATOM 0 HB2 ALA B 27 3.929 -10.111 -0.464 1.00 0.00 H new ATOM 0 HB3 ALA B 27 5.683 -10.400 -0.550 1.00 0.00 H new ATOM 346 N ALA B 28 7.438 -8.263 -1.030 1.00 0.00 N ATOM 347 CA ALA B 28 8.646 -7.522 -0.749 1.00 0.00 C ATOM 348 C ALA B 28 9.263 -6.834 -1.951 1.00 0.00 C ATOM 349 O ALA B 28 10.344 -6.288 -1.882 1.00 0.00 O ATOM 350 CB ALA B 28 9.616 -8.426 -0.010 1.00 0.00 C ATOM 0 H ALA B 28 7.554 -9.275 -0.969 1.00 0.00 H new ATOM 0 HA ALA B 28 8.377 -6.683 -0.107 1.00 0.00 H new ATOM 0 HB1 ALA B 28 10.532 -7.877 0.207 1.00 0.00 H new ATOM 0 HB2 ALA B 28 9.163 -8.760 0.924 1.00 0.00 H new ATOM 0 HB3 ALA B 28 9.851 -9.292 -0.629 1.00 0.00 H new ATOM 356 N ALA B 29 8.605 -6.808 -3.101 1.00 0.00 N ATOM 357 CA ALA B 29 8.875 -5.968 -4.238 1.00 0.00 C ATOM 358 C ALA B 29 8.063 -4.691 -4.239 1.00 0.00 C ATOM 359 O ALA B 29 8.589 -3.619 -4.418 1.00 0.00 O ATOM 360 CB ALA B 29 8.578 -6.788 -5.475 1.00 0.00 C ATOM 0 H ALA B 29 7.809 -7.424 -3.267 1.00 0.00 H new ATOM 0 HA ALA B 29 9.917 -5.649 -4.206 1.00 0.00 H new ATOM 0 HB1 ALA B 29 8.770 -6.188 -6.364 1.00 0.00 H new ATOM 0 HB2 ALA B 29 9.217 -7.671 -5.488 1.00 0.00 H new ATOM 0 HB3 ALA B 29 7.533 -7.097 -5.464 1.00 0.00 H new ATOM 366 N ALA B 30 6.761 -4.778 -4.016 1.00 0.00 N ATOM 367 CA ALA B 30 5.875 -3.638 -4.080 1.00 0.00 C ATOM 368 C ALA B 30 5.785 -2.943 -2.739 1.00 0.00 C ATOM 369 O ALA B 30 5.762 -1.723 -2.699 1.00 0.00 O ATOM 370 CB ALA B 30 4.489 -4.084 -4.500 1.00 0.00 C ATOM 0 H ALA B 30 6.290 -5.653 -3.784 1.00 0.00 H new ATOM 0 HA ALA B 30 6.280 -2.939 -4.812 1.00 0.00 H new ATOM 0 HB1 ALA B 30 3.827 -3.219 -4.546 1.00 0.00 H new ATOM 0 HB2 ALA B 30 4.540 -4.555 -5.482 1.00 0.00 H new ATOM 0 HB3 ALA B 30 4.102 -4.799 -3.775 1.00 0.00 H new ATOM 376 N ILE B 31 5.795 -3.703 -1.645 1.00 0.00 N ATOM 377 CA ILE B 31 5.813 -3.187 -0.297 1.00 0.00 C ATOM 378 C ILE B 31 7.049 -2.344 -0.051 1.00 0.00 C ATOM 379 O ILE B 31 6.960 -1.297 0.567 1.00 0.00 O ATOM 380 CB ILE B 31 5.781 -4.305 0.737 1.00 0.00 C ATOM 381 CG1 ILE B 31 4.536 -5.169 0.667 1.00 0.00 C ATOM 382 CG2 ILE B 31 5.956 -3.768 2.147 1.00 0.00 C ATOM 383 CD1 ILE B 31 3.246 -4.530 1.116 1.00 0.00 C ATOM 0 H ILE B 31 5.791 -4.722 -1.684 1.00 0.00 H new ATOM 0 HA ILE B 31 4.918 -2.574 -0.191 1.00 0.00 H new ATOM 0 HB ILE B 31 6.627 -4.945 0.486 1.00 0.00 H new ATOM 0 HG12 ILE B 31 4.410 -5.503 -0.363 1.00 0.00 H new ATOM 0 HG13 ILE B 31 4.704 -6.059 1.273 1.00 0.00 H new ATOM 0 HG21 ILE B 31 5.928 -4.594 2.857 1.00 0.00 H new ATOM 0 HG22 ILE B 31 6.915 -3.255 2.225 1.00 0.00 H new ATOM 0 HG23 ILE B 31 5.151 -3.068 2.372 1.00 0.00 H new ATOM 0 HD11 ILE B 31 2.431 -5.248 1.018 1.00 0.00 H new ATOM 0 HD12 ILE B 31 3.336 -4.222 2.158 1.00 0.00 H new ATOM 0 HD13 ILE B 31 3.037 -3.658 0.497 1.00 0.00 H new ATOM 395 N LYS B 32 8.201 -2.804 -0.530 1.00 0.00 N ATOM 396 CA LYS B 32 9.428 -2.040 -0.518 1.00 0.00 C ATOM 397 C LYS B 32 9.286 -0.703 -1.217 1.00 0.00 C ATOM 398 O LYS B 32 9.535 0.330 -0.629 1.00 0.00 O ATOM 399 CB LYS B 32 10.548 -2.900 -1.088 1.00 0.00 C ATOM 400 CG LYS B 32 11.193 -3.740 -0.002 1.00 0.00 C ATOM 401 CD LYS B 32 12.477 -4.370 -0.511 1.00 0.00 C ATOM 402 CE LYS B 32 12.948 -5.399 0.452 1.00 0.00 C ATOM 403 NZ LYS B 32 14.061 -6.174 -0.040 1.00 0.00 N ATOM 0 H LYS B 32 8.302 -3.732 -0.942 1.00 0.00 H new ATOM 0 HA LYS B 32 9.680 -1.783 0.511 1.00 0.00 H new ATOM 0 HB2 LYS B 32 10.152 -3.550 -1.868 1.00 0.00 H new ATOM 0 HB3 LYS B 32 11.299 -2.263 -1.555 1.00 0.00 H new ATOM 0 HG2 LYS B 32 11.405 -3.119 0.868 1.00 0.00 H new ATOM 0 HG3 LYS B 32 10.502 -4.518 0.323 1.00 0.00 H new ATOM 0 HD2 LYS B 32 12.308 -4.823 -1.488 1.00 0.00 H new ATOM 0 HD3 LYS B 32 13.242 -3.604 -0.642 1.00 0.00 H new ATOM 0 HE2 LYS B 32 13.237 -4.910 1.382 1.00 0.00 H new ATOM 0 HE3 LYS B 32 12.123 -6.071 0.688 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 14.341 -6.873 0.677 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 13.782 -6.666 -0.913 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 14.863 -5.542 -0.240 1.00 0.00 H new ATOM 417 N ALA B 33 8.737 -0.714 -2.422 1.00 0.00 N ATOM 418 CA ALA B 33 8.349 0.449 -3.188 1.00 0.00 C ATOM 419 C ALA B 33 7.179 1.242 -2.641 1.00 0.00 C ATOM 420 O ALA B 33 6.843 2.273 -3.206 1.00 0.00 O ATOM 421 CB ALA B 33 8.091 -0.001 -4.615 1.00 0.00 C ATOM 0 H ALA B 33 8.542 -1.586 -2.914 1.00 0.00 H new ATOM 0 HA ALA B 33 9.175 1.158 -3.128 1.00 0.00 H new ATOM 0 HB1 ALA B 33 7.796 0.857 -5.219 1.00 0.00 H new ATOM 0 HB2 ALA B 33 8.999 -0.440 -5.028 1.00 0.00 H new ATOM 0 HB3 ALA B 33 7.293 -0.743 -4.624 1.00 0.00 H new ATOM 427 N ILE B 34 6.588 0.838 -1.520 1.00 0.00 N ATOM 428 CA ILE B 34 5.688 1.608 -0.693 1.00 0.00 C ATOM 429 C ILE B 34 6.321 2.061 0.608 1.00 0.00 C ATOM 430 O ILE B 34 6.415 3.266 0.803 1.00 0.00 O ATOM 431 CB ILE B 34 4.336 0.914 -0.609 1.00 0.00 C ATOM 432 CG1 ILE B 34 3.281 1.821 -1.204 1.00 0.00 C ATOM 433 CG2 ILE B 34 3.927 0.350 0.734 1.00 0.00 C ATOM 434 CD1 ILE B 34 2.804 2.987 -0.380 1.00 0.00 C ATOM 0 H ILE B 34 6.741 -0.099 -1.148 1.00 0.00 H new ATOM 0 HA ILE B 34 5.477 2.567 -1.166 1.00 0.00 H new ATOM 0 HB ILE B 34 4.442 0.002 -1.196 1.00 0.00 H new ATOM 0 HG12 ILE B 34 3.670 2.213 -2.144 1.00 0.00 H new ATOM 0 HG13 ILE B 34 2.413 1.208 -1.449 1.00 0.00 H new ATOM 0 HG21 ILE B 34 2.945 -0.115 0.649 1.00 0.00 H new ATOM 0 HG22 ILE B 34 4.655 -0.396 1.053 1.00 0.00 H new ATOM 0 HG23 ILE B 34 3.886 1.154 1.469 1.00 0.00 H new ATOM 0 HD11 ILE B 34 2.050 3.543 -0.938 1.00 0.00 H new ATOM 0 HD12 ILE B 34 2.370 2.621 0.551 1.00 0.00 H new ATOM 0 HD13 ILE B 34 3.646 3.642 -0.155 1.00 0.00 H new ATOM 446 N ALA B 35 6.852 1.223 1.495 1.00 0.00 N ATOM 447 CA ALA B 35 7.317 1.615 2.804 1.00 0.00 C ATOM 448 C ALA B 35 8.414 2.660 2.775 1.00 0.00 C ATOM 449 O ALA B 35 8.459 3.574 3.584 1.00 0.00 O ATOM 450 CB ALA B 35 7.768 0.398 3.586 1.00 0.00 C ATOM 0 H ALA B 35 6.970 0.227 1.309 1.00 0.00 H new ATOM 0 HA ALA B 35 6.468 2.083 3.302 1.00 0.00 H new ATOM 0 HB1 ALA B 35 8.116 0.707 4.571 1.00 0.00 H new ATOM 0 HB2 ALA B 35 6.933 -0.293 3.697 1.00 0.00 H new ATOM 0 HB3 ALA B 35 8.580 -0.097 3.053 1.00 0.00 H new ATOM 456 N ALA B 36 9.267 2.587 1.759 1.00 0.00 N ATOM 457 CA ALA B 36 10.261 3.584 1.454 1.00 0.00 C ATOM 458 C ALA B 36 9.634 4.893 1.024 1.00 0.00 C ATOM 459 O ALA B 36 10.070 5.945 1.453 1.00 0.00 O ATOM 460 CB ALA B 36 11.234 3.019 0.434 1.00 0.00 C ATOM 0 H ALA B 36 9.278 1.801 1.109 1.00 0.00 H new ATOM 0 HA ALA B 36 10.823 3.826 2.356 1.00 0.00 H new ATOM 0 HB1 ALA B 36 11.990 3.768 0.198 1.00 0.00 H new ATOM 0 HB2 ALA B 36 11.718 2.133 0.845 1.00 0.00 H new ATOM 0 HB3 ALA B 36 10.694 2.750 -0.474 1.00 0.00 H new ATOM 466 N ILE B 37 8.614 4.841 0.181 1.00 0.00 N ATOM 467 CA ILE B 37 7.874 5.942 -0.394 1.00 0.00 C ATOM 468 C ILE B 37 6.956 6.559 0.647 1.00 0.00 C ATOM 469 O ILE B 37 6.794 7.767 0.645 1.00 0.00 O ATOM 470 CB ILE B 37 7.146 5.470 -1.647 1.00 0.00 C ATOM 471 CG1 ILE B 37 8.043 5.403 -2.872 1.00 0.00 C ATOM 472 CG2 ILE B 37 5.959 6.335 -2.037 1.00 0.00 C ATOM 473 CD1 ILE B 37 9.197 4.420 -2.788 1.00 0.00 C ATOM 0 H ILE B 37 8.255 3.943 -0.144 1.00 0.00 H new ATOM 0 HA ILE B 37 8.554 6.735 -0.705 1.00 0.00 H new ATOM 0 HB ILE B 37 6.804 4.475 -1.360 1.00 0.00 H new ATOM 0 HG12 ILE B 37 7.430 5.143 -3.735 1.00 0.00 H new ATOM 0 HG13 ILE B 37 8.449 6.397 -3.057 1.00 0.00 H new ATOM 0 HG21 ILE B 37 5.496 5.932 -2.938 1.00 0.00 H new ATOM 0 HG22 ILE B 37 5.231 6.341 -1.226 1.00 0.00 H new ATOM 0 HG23 ILE B 37 6.298 7.353 -2.227 1.00 0.00 H new ATOM 0 HD11 ILE B 37 9.771 4.453 -3.714 1.00 0.00 H new ATOM 0 HD12 ILE B 37 9.842 4.687 -1.951 1.00 0.00 H new ATOM 0 HD13 ILE B 37 8.807 3.413 -2.639 1.00 0.00 H new ATOM 485 N ILE B 38 6.402 5.815 1.599 1.00 0.00 N ATOM 486 CA ILE B 38 5.689 6.341 2.741 1.00 0.00 C ATOM 487 C ILE B 38 6.540 7.370 3.460 1.00 0.00 C ATOM 488 O ILE B 38 6.108 8.481 3.704 1.00 0.00 O ATOM 489 CB ILE B 38 5.235 5.218 3.661 1.00 0.00 C ATOM 490 CG1 ILE B 38 4.201 4.333 2.982 1.00 0.00 C ATOM 491 CG2 ILE B 38 4.709 5.789 4.972 1.00 0.00 C ATOM 492 CD1 ILE B 38 3.597 3.273 3.874 1.00 0.00 C ATOM 0 H ILE B 38 6.443 4.796 1.589 1.00 0.00 H new ATOM 0 HA ILE B 38 4.787 6.847 2.396 1.00 0.00 H new ATOM 0 HB ILE B 38 6.096 4.589 3.887 1.00 0.00 H new ATOM 0 HG12 ILE B 38 3.400 4.963 2.595 1.00 0.00 H new ATOM 0 HG13 ILE B 38 4.666 3.846 2.125 1.00 0.00 H new ATOM 0 HG21 ILE B 38 4.388 4.974 5.621 1.00 0.00 H new ATOM 0 HG22 ILE B 38 5.499 6.355 5.465 1.00 0.00 H new ATOM 0 HG23 ILE B 38 3.864 6.446 4.769 1.00 0.00 H new ATOM 0 HD11 ILE B 38 2.871 2.690 3.307 1.00 0.00 H new ATOM 0 HD12 ILE B 38 4.384 2.614 4.241 1.00 0.00 H new ATOM 0 HD13 ILE B 38 3.099 3.749 4.719 1.00 0.00 H new ATOM 504 N LYS B 39 7.778 6.995 3.739 1.00 0.00 N ATOM 505 CA LYS B 39 8.765 7.793 4.424 1.00 0.00 C ATOM 506 C LYS B 39 9.296 8.916 3.559 1.00 0.00 C ATOM 507 O LYS B 39 9.363 10.044 3.999 1.00 0.00 O ATOM 508 CB LYS B 39 9.874 6.878 4.901 1.00 0.00 C ATOM 509 CG LYS B 39 9.473 6.089 6.128 1.00 0.00 C ATOM 510 CD LYS B 39 10.554 5.159 6.621 1.00 0.00 C ATOM 511 CE LYS B 39 10.716 3.935 5.784 1.00 0.00 C ATOM 512 NZ LYS B 39 11.755 3.070 6.181 1.00 0.00 N ATOM 0 H LYS B 39 8.134 6.076 3.477 1.00 0.00 H new ATOM 0 HA LYS B 39 8.298 8.279 5.281 1.00 0.00 H new ATOM 0 HB2 LYS B 39 10.145 6.190 4.100 1.00 0.00 H new ATOM 0 HB3 LYS B 39 10.761 7.471 5.125 1.00 0.00 H new ATOM 0 HG2 LYS B 39 9.208 6.782 6.926 1.00 0.00 H new ATOM 0 HG3 LYS B 39 8.579 5.508 5.901 1.00 0.00 H new ATOM 0 HD2 LYS B 39 11.501 5.698 6.648 1.00 0.00 H new ATOM 0 HD3 LYS B 39 10.327 4.862 7.645 1.00 0.00 H new ATOM 0 HE2 LYS B 39 9.778 3.380 5.796 1.00 0.00 H new ATOM 0 HE3 LYS B 39 10.893 4.240 4.753 1.00 0.00 H new ATOM 0 HZ1 LYS B 39 11.789 2.251 5.541 1.00 0.00 H new ATOM 0 HZ2 LYS B 39 12.662 3.577 6.143 1.00 0.00 H new ATOM 0 HZ3 LYS B 39 11.582 2.743 7.153 1.00 0.00 H new ATOM 526 N ALA B 40 9.654 8.658 2.311 1.00 0.00 N ATOM 527 CA ALA B 40 10.271 9.611 1.427 1.00 0.00 C ATOM 528 C ALA B 40 9.274 10.566 0.815 1.00 0.00 C ATOM 529 O ALA B 40 9.528 11.739 0.685 1.00 0.00 O ATOM 530 CB ALA B 40 11.028 8.884 0.340 1.00 0.00 C ATOM 0 H ALA B 40 9.514 7.745 1.879 1.00 0.00 H new ATOM 0 HA ALA B 40 10.959 10.209 2.024 1.00 0.00 H new ATOM 0 HB1 ALA B 40 11.493 9.610 -0.327 1.00 0.00 H new ATOM 0 HB2 ALA B 40 11.799 8.258 0.790 1.00 0.00 H new ATOM 0 HB3 ALA B 40 10.339 8.259 -0.228 1.00 0.00 H new ATOM 536 N GLY B 41 8.113 10.072 0.447 1.00 0.00 N ATOM 537 CA GLY B 41 6.970 10.854 0.041 1.00 0.00 C ATOM 538 C GLY B 41 6.417 11.678 1.179 1.00 0.00 C ATOM 539 O GLY B 41 6.088 12.816 1.010 1.00 0.00 O ATOM 0 H GLY B 41 7.933 9.068 0.422 1.00 0.00 H new ATOM 0 HA2 GLY B 41 7.254 11.513 -0.779 1.00 0.00 H new ATOM 0 HA3 GLY B 41 6.193 10.191 -0.338 1.00 0.00 H new ATOM 543 N GLY B 42 6.307 11.083 2.346 1.00 0.00 N ATOM 544 CA GLY B 42 5.927 11.713 3.581 1.00 0.00 C ATOM 545 C GLY B 42 4.443 11.725 3.871 1.00 0.00 C ATOM 546 O GLY B 42 3.877 12.757 4.142 1.00 0.00 O ATOM 0 H GLY B 42 6.493 10.087 2.460 1.00 0.00 H new ATOM 0 HA2 GLY B 42 6.436 11.206 4.400 1.00 0.00 H new ATOM 0 HA3 GLY B 42 6.287 12.742 3.571 1.00 0.00 H new ATOM 550 N TYR B 43 3.773 10.601 3.805 1.00 0.00 N ATOM 551 CA TYR B 43 2.385 10.471 4.131 1.00 0.00 C ATOM 552 C TYR B 43 2.038 10.857 5.529 1.00 0.00 C ATOM 553 O TYR B 43 0.972 11.284 5.751 1.00 0.00 O ATOM 554 CB TYR B 43 1.896 9.078 3.842 1.00 0.00 C ATOM 555 CG TYR B 43 1.684 8.601 2.439 1.00 0.00 C ATOM 556 CD1 TYR B 43 0.797 9.219 1.563 1.00 0.00 C ATOM 557 CD2 TYR B 43 2.323 7.413 2.078 1.00 0.00 C ATOM 558 CE1 TYR B 43 0.610 8.650 0.302 1.00 0.00 C ATOM 559 CE2 TYR B 43 2.162 6.858 0.809 1.00 0.00 C ATOM 560 CZ TYR B 43 1.319 7.510 -0.106 1.00 0.00 C ATOM 561 OH TYR B 43 1.169 6.993 -1.351 1.00 0.00 O ATOM 0 H TYR B 43 4.200 9.723 3.511 1.00 0.00 H new ATOM 0 HA TYR B 43 1.873 11.187 3.488 1.00 0.00 H new ATOM 0 HB2 TYR B 43 2.603 8.391 4.307 1.00 0.00 H new ATOM 0 HB3 TYR B 43 0.946 8.960 4.364 1.00 0.00 H new ATOM 0 HD1 TYR B 43 0.267 10.115 1.851 1.00 0.00 H new ATOM 0 HD2 TYR B 43 2.955 6.913 2.797 1.00 0.00 H new ATOM 0 HE1 TYR B 43 -0.099 9.099 -0.377 1.00 0.00 H new ATOM 0 HE2 TYR B 43 2.674 5.947 0.536 1.00 0.00 H new ATOM 0 HH TYR B 43 1.685 7.526 -1.991 1.00 0.00 H new ATOM 581 N ALA C 46 -7.362 11.648 -3.438 1.00 0.00 N ATOM 582 CA ALA C 46 -6.066 11.342 -2.884 1.00 0.00 C ATOM 583 C ALA C 46 -5.956 11.418 -1.376 1.00 0.00 C ATOM 584 O ALA C 46 -5.107 10.768 -0.788 1.00 0.00 O ATOM 585 CB ALA C 46 -5.046 12.216 -3.572 1.00 0.00 C ATOM 0 HA ALA C 46 -5.878 10.286 -3.080 1.00 0.00 H new ATOM 0 HB1 ALA C 46 -4.055 12.004 -3.170 1.00 0.00 H new ATOM 0 HB2 ALA C 46 -5.055 12.012 -4.643 1.00 0.00 H new ATOM 0 HB3 ALA C 46 -5.290 13.264 -3.400 1.00 0.00 H new ATOM 591 N LYS C 47 -6.865 12.139 -0.737 1.00 0.00 N ATOM 592 CA LYS C 47 -7.055 12.203 0.686 1.00 0.00 C ATOM 593 C LYS C 47 -7.423 10.897 1.361 1.00 0.00 C ATOM 594 O LYS C 47 -7.347 10.781 2.565 1.00 0.00 O ATOM 595 CB LYS C 47 -8.120 13.218 1.046 1.00 0.00 C ATOM 596 CG LYS C 47 -7.764 14.641 0.674 1.00 0.00 C ATOM 597 CD LYS C 47 -8.809 15.629 1.100 1.00 0.00 C ATOM 598 CE LYS C 47 -8.389 17.007 0.735 1.00 0.00 C ATOM 599 NZ LYS C 47 -9.283 18.021 1.175 1.00 0.00 N ATOM 0 H LYS C 47 -7.527 12.729 -1.240 1.00 0.00 H new ATOM 0 HA LYS C 47 -6.071 12.489 1.057 1.00 0.00 H new ATOM 0 HB2 LYS C 47 -9.051 12.945 0.548 1.00 0.00 H new ATOM 0 HB3 LYS C 47 -8.306 13.169 2.119 1.00 0.00 H new ATOM 0 HG2 LYS C 47 -6.811 14.905 1.133 1.00 0.00 H new ATOM 0 HG3 LYS C 47 -7.626 14.707 -0.405 1.00 0.00 H new ATOM 0 HD2 LYS C 47 -9.760 15.392 0.623 1.00 0.00 H new ATOM 0 HD3 LYS C 47 -8.967 15.562 2.176 1.00 0.00 H new ATOM 0 HE2 LYS C 47 -7.403 17.199 1.157 1.00 0.00 H new ATOM 0 HE3 LYS C 47 -8.290 17.070 -0.349 1.00 0.00 H new ATOM 0 HZ1 LYS C 47 -8.923 18.952 0.883 1.00 0.00 H new ATOM 0 HZ2 LYS C 47 -10.220 17.865 0.752 1.00 0.00 H new ATOM 0 HZ3 LYS C 47 -9.361 17.989 2.212 1.00 0.00 H new ATOM 613 N ALA C 48 -7.732 9.853 0.607 1.00 0.00 N ATOM 614 CA ALA C 48 -7.682 8.465 0.998 1.00 0.00 C ATOM 615 C ALA C 48 -6.361 8.017 1.592 1.00 0.00 C ATOM 616 O ALA C 48 -6.279 6.927 2.143 1.00 0.00 O ATOM 617 CB ALA C 48 -7.997 7.652 -0.247 1.00 0.00 C ATOM 0 H ALA C 48 -8.044 9.968 -0.357 1.00 0.00 H new ATOM 0 HA ALA C 48 -8.405 8.314 1.800 1.00 0.00 H new ATOM 0 HB1 ALA C 48 -7.972 6.590 -0.004 1.00 0.00 H new ATOM 0 HB2 ALA C 48 -8.989 7.917 -0.613 1.00 0.00 H new ATOM 0 HB3 ALA C 48 -7.257 7.865 -1.018 1.00 0.00 H new ATOM 623 N ALA C 49 -5.316 8.835 1.501 1.00 0.00 N ATOM 624 CA ALA C 49 -3.956 8.576 1.905 1.00 0.00 C ATOM 625 C ALA C 49 -3.854 8.310 3.395 1.00 0.00 C ATOM 626 O ALA C 49 -3.886 7.169 3.833 1.00 0.00 O ATOM 627 CB ALA C 49 -3.090 9.696 1.355 1.00 0.00 C ATOM 0 H ALA C 49 -5.418 9.771 1.109 1.00 0.00 H new ATOM 0 HA ALA C 49 -3.574 7.648 1.480 1.00 0.00 H new ATOM 0 HB1 ALA C 49 -2.052 9.529 1.644 1.00 0.00 H new ATOM 0 HB2 ALA C 49 -3.165 9.714 0.268 1.00 0.00 H new ATOM 0 HB3 ALA C 49 -3.430 10.650 1.758 1.00 0.00 H new ATOM 633 N ALA C 50 -3.865 9.341 4.232 1.00 0.00 N ATOM 634 CA ALA C 50 -3.574 9.242 5.631 1.00 0.00 C ATOM 635 C ALA C 50 -4.687 8.651 6.458 1.00 0.00 C ATOM 636 O ALA C 50 -4.627 8.684 7.663 1.00 0.00 O ATOM 637 CB ALA C 50 -3.128 10.573 6.154 1.00 0.00 C ATOM 0 H ALA C 50 -4.085 10.291 3.933 1.00 0.00 H new ATOM 0 HA ALA C 50 -2.759 8.526 5.731 1.00 0.00 H new ATOM 0 HB1 ALA C 50 -2.908 10.491 7.218 1.00 0.00 H new ATOM 0 HB2 ALA C 50 -2.231 10.891 5.622 1.00 0.00 H new ATOM 0 HB3 ALA C 50 -3.919 11.307 6.003 1.00 0.00 H new ATOM 643 N ALA C 51 -5.700 8.081 5.849 1.00 0.00 N ATOM 644 CA ALA C 51 -6.596 7.110 6.410 1.00 0.00 C ATOM 645 C ALA C 51 -6.096 5.698 6.192 1.00 0.00 C ATOM 646 O ALA C 51 -5.919 4.976 7.133 1.00 0.00 O ATOM 647 CB ALA C 51 -7.971 7.306 5.834 1.00 0.00 C ATOM 0 H ALA C 51 -5.932 8.303 4.881 1.00 0.00 H new ATOM 0 HA ALA C 51 -6.643 7.258 7.489 1.00 0.00 H new ATOM 0 HB1 ALA C 51 -8.652 6.569 6.259 1.00 0.00 H new ATOM 0 HB2 ALA C 51 -8.326 8.309 6.073 1.00 0.00 H new ATOM 0 HB3 ALA C 51 -7.933 7.183 4.752 1.00 0.00 H new ATOM 653 N ALA C 52 -5.832 5.298 4.957 1.00 0.00 N ATOM 654 CA ALA C 52 -5.554 3.926 4.593 1.00 0.00 C ATOM 655 C ALA C 52 -4.103 3.578 4.833 1.00 0.00 C ATOM 656 O ALA C 52 -3.809 2.529 5.384 1.00 0.00 O ATOM 657 CB ALA C 52 -5.888 3.775 3.126 1.00 0.00 C ATOM 0 H ALA C 52 -5.806 5.939 4.164 1.00 0.00 H new ATOM 0 HA ALA C 52 -6.152 3.250 5.205 1.00 0.00 H new ATOM 0 HB1 ALA C 52 -5.691 2.750 2.812 1.00 0.00 H new ATOM 0 HB2 ALA C 52 -6.941 4.008 2.967 1.00 0.00 H new ATOM 0 HB3 ALA C 52 -5.273 4.458 2.541 1.00 0.00 H new ATOM 663 N ILE C 53 -3.206 4.499 4.492 1.00 0.00 N ATOM 664 CA ILE C 53 -1.797 4.429 4.802 1.00 0.00 C ATOM 665 C ILE C 53 -1.550 4.309 6.292 1.00 0.00 C ATOM 666 O ILE C 53 -0.690 3.545 6.699 1.00 0.00 O ATOM 667 CB ILE C 53 -1.048 5.647 4.288 1.00 0.00 C ATOM 668 CG1 ILE C 53 -1.151 5.886 2.791 1.00 0.00 C ATOM 669 CG2 ILE C 53 0.404 5.617 4.701 1.00 0.00 C ATOM 670 CD1 ILE C 53 -0.719 4.730 1.918 1.00 0.00 C ATOM 0 H ILE C 53 -3.458 5.341 3.974 1.00 0.00 H new ATOM 0 HA ILE C 53 -1.426 3.534 4.302 1.00 0.00 H new ATOM 0 HB ILE C 53 -1.556 6.488 4.761 1.00 0.00 H new ATOM 0 HG12 ILE C 53 -2.185 6.134 2.550 1.00 0.00 H new ATOM 0 HG13 ILE C 53 -0.546 6.757 2.537 1.00 0.00 H new ATOM 0 HG21 ILE C 53 0.910 6.503 4.317 1.00 0.00 H new ATOM 0 HG22 ILE C 53 0.473 5.603 5.789 1.00 0.00 H new ATOM 0 HG23 ILE C 53 0.879 4.723 4.296 1.00 0.00 H new ATOM 0 HD11 ILE C 53 -0.832 5.004 0.869 1.00 0.00 H new ATOM 0 HD12 ILE C 53 0.325 4.491 2.121 1.00 0.00 H new ATOM 0 HD13 ILE C 53 -1.338 3.860 2.134 1.00 0.00 H new ATOM 682 N LYS C 54 -2.290 5.042 7.108 1.00 0.00 N ATOM 683 CA LYS C 54 -2.104 4.997 8.535 1.00 0.00 C ATOM 684 C LYS C 54 -2.394 3.623 9.106 1.00 0.00 C ATOM 685 O LYS C 54 -1.633 3.140 9.920 1.00 0.00 O ATOM 686 CB LYS C 54 -2.980 6.038 9.198 1.00 0.00 C ATOM 687 CG LYS C 54 -2.291 7.354 9.407 1.00 0.00 C ATOM 688 CD LYS C 54 -3.047 8.228 10.367 1.00 0.00 C ATOM 689 CE LYS C 54 -2.392 9.567 10.471 1.00 0.00 C ATOM 690 NZ LYS C 54 -3.095 10.421 11.317 1.00 0.00 N ATOM 0 H LYS C 54 -3.026 5.676 6.797 1.00 0.00 H new ATOM 0 HA LYS C 54 -1.056 5.215 8.741 1.00 0.00 H new ATOM 0 HB2 LYS C 54 -3.869 6.195 8.588 1.00 0.00 H new ATOM 0 HB3 LYS C 54 -3.318 5.657 10.162 1.00 0.00 H new ATOM 0 HG2 LYS C 54 -1.284 7.182 9.787 1.00 0.00 H new ATOM 0 HG3 LYS C 54 -2.188 7.867 8.451 1.00 0.00 H new ATOM 0 HD2 LYS C 54 -4.077 8.344 10.030 1.00 0.00 H new ATOM 0 HD3 LYS C 54 -3.084 7.756 11.349 1.00 0.00 H new ATOM 0 HE2 LYS C 54 -1.374 9.446 10.841 1.00 0.00 H new ATOM 0 HE3 LYS C 54 -2.320 10.015 9.480 1.00 0.00 H new ATOM 0 HZ1 LYS C 54 -2.610 11.340 11.364 1.00 0.00 H new ATOM 0 HZ2 LYS C 54 -4.059 10.556 10.951 1.00 0.00 H new ATOM 0 HZ3 LYS C 54 -3.142 10.005 12.269 1.00 0.00 H new ATOM 704 N ALA C 55 -3.431 2.954 8.625 1.00 0.00 N ATOM 705 CA ALA C 55 -3.631 1.540 8.801 1.00 0.00 C ATOM 706 C ALA C 55 -2.481 0.722 8.259 1.00 0.00 C ATOM 707 O ALA C 55 -1.904 -0.087 8.969 1.00 0.00 O ATOM 708 CB ALA C 55 -4.962 1.141 8.247 1.00 0.00 C ATOM 0 H ALA C 55 -4.173 3.401 8.087 1.00 0.00 H new ATOM 0 HA ALA C 55 -3.643 1.321 9.869 1.00 0.00 H new ATOM 0 HB1 ALA C 55 -5.107 0.069 8.384 1.00 0.00 H new ATOM 0 HB2 ALA C 55 -5.751 1.683 8.769 1.00 0.00 H new ATOM 0 HB3 ALA C 55 -5.000 1.380 7.184 1.00 0.00 H new ATOM 714 N ILE C 56 -2.075 0.874 7.003 1.00 0.00 N ATOM 715 CA ILE C 56 -1.109 0.028 6.344 1.00 0.00 C ATOM 716 C ILE C 56 0.260 0.119 6.989 1.00 0.00 C ATOM 717 O ILE C 56 0.893 -0.893 7.232 1.00 0.00 O ATOM 718 CB ILE C 56 -1.076 0.225 4.837 1.00 0.00 C ATOM 719 CG1 ILE C 56 -1.046 -1.145 4.192 1.00 0.00 C ATOM 720 CG2 ILE C 56 0.045 1.117 4.335 1.00 0.00 C ATOM 721 CD1 ILE C 56 -0.860 -1.151 2.692 1.00 0.00 C ATOM 0 H ILE C 56 -2.427 1.619 6.402 1.00 0.00 H new ATOM 0 HA ILE C 56 -1.447 -0.998 6.489 1.00 0.00 H new ATOM 0 HB ILE C 56 -1.975 0.770 4.550 1.00 0.00 H new ATOM 0 HG12 ILE C 56 -0.240 -1.723 4.643 1.00 0.00 H new ATOM 0 HG13 ILE C 56 -1.978 -1.659 4.428 1.00 0.00 H new ATOM 0 HG21 ILE C 56 -0.013 1.198 3.250 1.00 0.00 H new ATOM 0 HG22 ILE C 56 -0.052 2.108 4.779 1.00 0.00 H new ATOM 0 HG23 ILE C 56 1.006 0.686 4.616 1.00 0.00 H new ATOM 0 HD11 ILE C 56 -0.853 -2.179 2.330 1.00 0.00 H new ATOM 0 HD12 ILE C 56 -1.679 -0.607 2.222 1.00 0.00 H new ATOM 0 HD13 ILE C 56 0.086 -0.671 2.441 1.00 0.00 H new ATOM 733 N ALA C 57 0.726 1.300 7.374 1.00 0.00 N ATOM 734 CA ALA C 57 2.034 1.426 7.979 1.00 0.00 C ATOM 735 C ALA C 57 2.127 0.754 9.332 1.00 0.00 C ATOM 736 O ALA C 57 3.202 0.402 9.761 1.00 0.00 O ATOM 737 CB ALA C 57 2.395 2.884 8.057 1.00 0.00 C ATOM 0 H ALA C 57 0.216 2.178 7.276 1.00 0.00 H new ATOM 0 HA ALA C 57 2.753 0.903 7.349 1.00 0.00 H new ATOM 0 HB1 ALA C 57 3.380 2.991 8.512 1.00 0.00 H new ATOM 0 HB2 ALA C 57 2.410 3.309 7.053 1.00 0.00 H new ATOM 0 HB3 ALA C 57 1.657 3.410 8.662 1.00 0.00 H new ATOM 743 N ALA C 58 1.014 0.529 10.018 1.00 0.00 N ATOM 744 CA ALA C 58 0.948 -0.224 11.249 1.00 0.00 C ATOM 745 C ALA C 58 0.769 -1.706 11.024 1.00 0.00 C ATOM 746 O ALA C 58 1.447 -2.522 11.637 1.00 0.00 O ATOM 747 CB ALA C 58 -0.127 0.342 12.153 1.00 0.00 C ATOM 0 H ALA C 58 0.105 0.881 9.717 1.00 0.00 H new ATOM 0 HA ALA C 58 1.912 -0.117 11.747 1.00 0.00 H new ATOM 0 HB1 ALA C 58 -0.166 -0.235 13.077 1.00 0.00 H new ATOM 0 HB2 ALA C 58 0.102 1.382 12.384 1.00 0.00 H new ATOM 0 HB3 ALA C 58 -1.092 0.286 11.650 1.00 0.00 H new ATOM 753 N ILE C 59 -0.089 -2.058 10.072 1.00 0.00 N ATOM 754 CA ILE C 59 -0.323 -3.404 9.600 1.00 0.00 C ATOM 755 C ILE C 59 0.928 -4.001 8.982 1.00 0.00 C ATOM 756 O ILE C 59 1.167 -5.191 9.126 1.00 0.00 O ATOM 757 CB ILE C 59 -1.511 -3.430 8.653 1.00 0.00 C ATOM 758 CG1 ILE C 59 -2.826 -3.086 9.333 1.00 0.00 C ATOM 759 CG2 ILE C 59 -1.649 -4.766 7.949 1.00 0.00 C ATOM 760 CD1 ILE C 59 -3.905 -2.578 8.395 1.00 0.00 C ATOM 0 H ILE C 59 -0.667 -1.370 9.588 1.00 0.00 H new ATOM 0 HA ILE C 59 -0.571 -4.035 10.453 1.00 0.00 H new ATOM 0 HB ILE C 59 -1.299 -2.655 7.916 1.00 0.00 H new ATOM 0 HG12 ILE C 59 -3.197 -3.972 9.847 1.00 0.00 H new ATOM 0 HG13 ILE C 59 -2.639 -2.330 10.095 1.00 0.00 H new ATOM 0 HG21 ILE C 59 -2.511 -4.739 7.282 1.00 0.00 H new ATOM 0 HG22 ILE C 59 -0.748 -4.966 7.369 1.00 0.00 H new ATOM 0 HG23 ILE C 59 -1.787 -5.555 8.689 1.00 0.00 H new ATOM 0 HD11 ILE C 59 -4.808 -2.357 8.964 1.00 0.00 H new ATOM 0 HD12 ILE C 59 -3.558 -1.672 7.899 1.00 0.00 H new ATOM 0 HD13 ILE C 59 -4.125 -3.340 7.647 1.00 0.00 H new ATOM 772 N ILE C 60 1.786 -3.215 8.342 1.00 0.00 N ATOM 773 CA ILE C 60 3.052 -3.659 7.799 1.00 0.00 C ATOM 774 C ILE C 60 3.944 -4.170 8.914 1.00 0.00 C ATOM 775 O ILE C 60 4.491 -5.252 8.835 1.00 0.00 O ATOM 776 CB ILE C 60 3.675 -2.562 6.949 1.00 0.00 C ATOM 777 CG1 ILE C 60 2.932 -2.549 5.629 1.00 0.00 C ATOM 778 CG2 ILE C 60 5.169 -2.744 6.737 1.00 0.00 C ATOM 779 CD1 ILE C 60 3.337 -1.491 4.624 1.00 0.00 C ATOM 0 H ILE C 60 1.609 -2.223 8.185 1.00 0.00 H new ATOM 0 HA ILE C 60 2.902 -4.503 7.125 1.00 0.00 H new ATOM 0 HB ILE C 60 3.580 -1.608 7.467 1.00 0.00 H new ATOM 0 HG12 ILE C 60 3.055 -3.526 5.161 1.00 0.00 H new ATOM 0 HG13 ILE C 60 1.869 -2.428 5.839 1.00 0.00 H new ATOM 0 HG21 ILE C 60 5.551 -1.929 6.123 1.00 0.00 H new ATOM 0 HG22 ILE C 60 5.676 -2.741 7.702 1.00 0.00 H new ATOM 0 HG23 ILE C 60 5.352 -3.694 6.234 1.00 0.00 H new ATOM 0 HD11 ILE C 60 2.729 -1.592 3.725 1.00 0.00 H new ATOM 0 HD12 ILE C 60 3.185 -0.502 5.056 1.00 0.00 H new ATOM 0 HD13 ILE C 60 4.389 -1.617 4.367 1.00 0.00 H new ATOM 791 N LYS C 61 4.098 -3.373 9.957 1.00 0.00 N ATOM 792 CA LYS C 61 4.848 -3.674 11.153 1.00 0.00 C ATOM 793 C LYS C 61 4.359 -4.908 11.886 1.00 0.00 C ATOM 794 O LYS C 61 5.140 -5.723 12.348 1.00 0.00 O ATOM 795 CB LYS C 61 4.859 -2.424 12.022 1.00 0.00 C ATOM 796 CG LYS C 61 5.924 -2.443 13.066 1.00 0.00 C ATOM 797 CD LYS C 61 6.184 -1.093 13.697 1.00 0.00 C ATOM 798 CE LYS C 61 5.065 -0.574 14.418 1.00 0.00 C ATOM 799 NZ LYS C 61 5.233 0.731 14.973 1.00 0.00 N ATOM 0 H LYS C 61 3.676 -2.445 9.988 1.00 0.00 H new ATOM 0 HA LYS C 61 5.869 -3.938 10.877 1.00 0.00 H new ATOM 0 HB2 LYS C 61 4.998 -1.549 11.387 1.00 0.00 H new ATOM 0 HB3 LYS C 61 3.888 -2.317 12.505 1.00 0.00 H new ATOM 0 HG2 LYS C 61 5.642 -3.150 13.846 1.00 0.00 H new ATOM 0 HG3 LYS C 61 6.849 -2.810 12.622 1.00 0.00 H new ATOM 0 HD2 LYS C 61 7.035 -1.175 14.373 1.00 0.00 H new ATOM 0 HD3 LYS C 61 6.464 -0.385 12.917 1.00 0.00 H new ATOM 0 HE2 LYS C 61 4.204 -0.556 13.750 1.00 0.00 H new ATOM 0 HE3 LYS C 61 4.827 -1.264 15.227 1.00 0.00 H new ATOM 0 HZ1 LYS C 61 4.365 1.010 15.473 1.00 0.00 H new ATOM 0 HZ2 LYS C 61 6.030 0.724 15.641 1.00 0.00 H new ATOM 0 HZ3 LYS C 61 5.426 1.411 14.210 1.00 0.00 H new ATOM 813 N ALA C 62 3.047 -5.081 11.961 1.00 0.00 N ATOM 814 CA ALA C 62 2.384 -6.205 12.576 1.00 0.00 C ATOM 815 C ALA C 62 2.436 -7.474 11.756 1.00 0.00 C ATOM 816 O ALA C 62 2.675 -8.533 12.254 1.00 0.00 O ATOM 817 CB ALA C 62 0.957 -5.810 12.886 1.00 0.00 C ATOM 0 H ALA C 62 2.390 -4.404 11.573 1.00 0.00 H new ATOM 0 HA ALA C 62 2.923 -6.446 13.492 1.00 0.00 H new ATOM 0 HB1 ALA C 62 0.440 -6.649 13.352 1.00 0.00 H new ATOM 0 HB2 ALA C 62 0.955 -4.959 13.567 1.00 0.00 H new ATOM 0 HB3 ALA C 62 0.446 -5.537 11.963 1.00 0.00 H new ATOM 823 N GLY C 63 2.316 -7.343 10.449 1.00 0.00 N ATOM 824 CA GLY C 63 2.419 -8.374 9.443 1.00 0.00 C ATOM 825 C GLY C 63 3.815 -8.950 9.309 1.00 0.00 C ATOM 826 O GLY C 63 3.993 -10.141 9.182 1.00 0.00 O ATOM 0 H GLY C 63 2.128 -6.432 10.031 1.00 0.00 H new ATOM 0 HA2 GLY C 63 1.724 -9.178 9.686 1.00 0.00 H new ATOM 0 HA3 GLY C 63 2.109 -7.965 8.481 1.00 0.00 H new ATOM 830 N GLY C 64 4.818 -8.085 9.362 1.00 0.00 N ATOM 831 CA GLY C 64 6.215 -8.422 9.330 1.00 0.00 C ATOM 832 C GLY C 64 6.766 -8.577 7.937 1.00 0.00 C ATOM 833 O GLY C 64 7.631 -9.380 7.723 1.00 0.00 O ATOM 0 H GLY C 64 4.660 -7.080 9.432 1.00 0.00 H new ATOM 0 HA2 GLY C 64 6.779 -7.648 9.851 1.00 0.00 H new ATOM 0 HA3 GLY C 64 6.369 -9.352 9.878 1.00 0.00 H new ATOM 837 N TYR C 65 6.255 -7.830 6.972 1.00 0.00 N ATOM 838 CA TYR C 65 6.442 -7.897 5.555 1.00 0.00 C ATOM 839 C TYR C 65 7.855 -7.861 5.105 1.00 0.00 C ATOM 840 O TYR C 65 8.180 -8.277 4.054 1.00 0.00 O ATOM 841 CB TYR C 65 5.721 -6.710 4.959 1.00 0.00 C ATOM 842 CG TYR C 65 4.336 -6.948 4.434 1.00 0.00 C ATOM 843 CD1 TYR C 65 4.011 -7.801 3.390 1.00 0.00 C ATOM 844 CD2 TYR C 65 3.340 -6.179 4.997 1.00 0.00 C ATOM 845 CE1 TYR C 65 2.717 -7.808 2.869 1.00 0.00 C ATOM 846 CE2 TYR C 65 2.046 -6.124 4.475 1.00 0.00 C ATOM 847 CZ TYR C 65 1.741 -6.967 3.409 1.00 0.00 C ATOM 848 OH TYR C 65 0.470 -6.993 2.930 1.00 0.00 O ATOM 0 H TYR C 65 5.619 -7.068 7.210 1.00 0.00 H new ATOM 0 HA TYR C 65 6.054 -8.861 5.226 1.00 0.00 H new ATOM 0 HB2 TYR C 65 5.666 -5.931 5.719 1.00 0.00 H new ATOM 0 HB3 TYR C 65 6.330 -6.318 4.144 1.00 0.00 H new ATOM 0 HD1 TYR C 65 4.761 -8.461 2.980 1.00 0.00 H new ATOM 0 HD2 TYR C 65 3.570 -5.596 5.877 1.00 0.00 H new ATOM 0 HE1 TYR C 65 2.470 -8.464 2.048 1.00 0.00 H new ATOM 0 HE2 TYR C 65 1.307 -5.451 4.884 1.00 0.00 H new ATOM 0 HH TYR C 65 -0.006 -7.763 3.307 1.00 0.00 H new ATOM 868 N ALA D 68 6.338 -12.157 4.359 1.00 0.00 N ATOM 869 CA ALA D 68 5.629 -11.832 3.143 1.00 0.00 C ATOM 870 C ALA D 68 4.207 -12.341 3.066 1.00 0.00 C ATOM 871 O ALA D 68 3.397 -11.757 2.362 1.00 0.00 O ATOM 872 CB ALA D 68 6.454 -12.337 1.980 1.00 0.00 C ATOM 0 HA ALA D 68 5.513 -10.749 3.116 1.00 0.00 H new ATOM 0 HB1 ALA D 68 5.944 -12.106 1.045 1.00 0.00 H new ATOM 0 HB2 ALA D 68 7.431 -11.853 1.990 1.00 0.00 H new ATOM 0 HB3 ALA D 68 6.583 -13.416 2.066 1.00 0.00 H new ATOM 878 N LYS D 69 3.844 -13.389 3.801 1.00 0.00 N ATOM 879 CA LYS D 69 2.502 -13.907 3.911 1.00 0.00 C ATOM 880 C LYS D 69 1.464 -12.945 4.461 1.00 0.00 C ATOM 881 O LYS D 69 0.279 -13.211 4.358 1.00 0.00 O ATOM 882 CB LYS D 69 2.469 -15.189 4.723 1.00 0.00 C ATOM 883 CG LYS D 69 3.168 -16.342 4.103 1.00 0.00 C ATOM 884 CD LYS D 69 3.052 -17.627 4.802 1.00 0.00 C ATOM 885 CE LYS D 69 1.761 -18.151 4.724 1.00 0.00 C ATOM 886 NZ LYS D 69 1.714 -19.405 5.313 1.00 0.00 N ATOM 0 H LYS D 69 4.516 -13.918 4.358 1.00 0.00 H new ATOM 0 HA LYS D 69 2.218 -14.094 2.875 1.00 0.00 H new ATOM 0 HB2 LYS D 69 2.915 -14.995 5.699 1.00 0.00 H new ATOM 0 HB3 LYS D 69 1.429 -15.465 4.897 1.00 0.00 H new ATOM 0 HG2 LYS D 69 2.786 -16.468 3.090 1.00 0.00 H new ATOM 0 HG3 LYS D 69 4.226 -16.094 4.017 1.00 0.00 H new ATOM 0 HD2 LYS D 69 3.758 -18.338 4.373 1.00 0.00 H new ATOM 0 HD3 LYS D 69 3.327 -17.496 5.849 1.00 0.00 H new ATOM 0 HE2 LYS D 69 1.059 -17.482 5.221 1.00 0.00 H new ATOM 0 HE3 LYS D 69 1.452 -18.220 3.681 1.00 0.00 H new ATOM 0 HZ1 LYS D 69 0.747 -19.783 5.248 1.00 0.00 H new ATOM 0 HZ2 LYS D 69 2.370 -20.045 4.821 1.00 0.00 H new ATOM 0 HZ3 LYS D 69 1.989 -19.329 6.313 1.00 0.00 H new ATOM 900 N ALA D 70 1.877 -11.787 4.957 1.00 0.00 N ATOM 901 CA ALA D 70 1.040 -10.645 5.241 1.00 0.00 C ATOM 902 C ALA D 70 0.276 -10.106 4.044 1.00 0.00 C ATOM 903 O ALA D 70 -0.499 -9.167 4.145 1.00 0.00 O ATOM 904 CB ALA D 70 1.959 -9.596 5.852 1.00 0.00 C ATOM 0 H ALA D 70 2.857 -11.617 5.181 1.00 0.00 H new ATOM 0 HA ALA D 70 0.244 -10.941 5.924 1.00 0.00 H new ATOM 0 HB1 ALA D 70 1.383 -8.702 6.091 1.00 0.00 H new ATOM 0 HB2 ALA D 70 2.408 -9.992 6.763 1.00 0.00 H new ATOM 0 HB3 ALA D 70 2.745 -9.342 5.141 1.00 0.00 H new ATOM 910 N ALA D 71 0.460 -10.683 2.860 1.00 0.00 N ATOM 911 CA ALA D 71 0.062 -10.210 1.559 1.00 0.00 C ATOM 912 C ALA D 71 -1.394 -10.299 1.152 1.00 0.00 C ATOM 913 O ALA D 71 -1.760 -9.791 0.116 1.00 0.00 O ATOM 914 CB ALA D 71 0.969 -10.910 0.577 1.00 0.00 C ATOM 0 H ALA D 71 0.939 -11.581 2.793 1.00 0.00 H new ATOM 0 HA ALA D 71 0.169 -9.125 1.580 1.00 0.00 H new ATOM 0 HB1 ALA D 71 0.720 -10.595 -0.436 1.00 0.00 H new ATOM 0 HB2 ALA D 71 2.006 -10.653 0.793 1.00 0.00 H new ATOM 0 HB3 ALA D 71 0.837 -11.988 0.665 1.00 0.00 H new ATOM 920 N ALA D 72 -2.278 -10.777 2.007 1.00 0.00 N ATOM 921 CA ALA D 72 -3.688 -10.466 1.995 1.00 0.00 C ATOM 922 C ALA D 72 -4.075 -9.651 3.210 1.00 0.00 C ATOM 923 O ALA D 72 -4.851 -8.710 3.103 1.00 0.00 O ATOM 924 CB ALA D 72 -4.492 -11.734 1.802 1.00 0.00 C ATOM 0 H ALA D 72 -2.019 -11.418 2.757 1.00 0.00 H new ATOM 0 HA ALA D 72 -3.924 -9.826 1.145 1.00 0.00 H new ATOM 0 HB1 ALA D 72 -5.555 -11.493 1.794 1.00 0.00 H new ATOM 0 HB2 ALA D 72 -4.218 -12.198 0.855 1.00 0.00 H new ATOM 0 HB3 ALA D 72 -4.283 -12.425 2.618 1.00 0.00 H new ATOM 930 N ALA D 73 -3.457 -9.874 4.363 1.00 0.00 N ATOM 931 CA ALA D 73 -3.763 -9.267 5.635 1.00 0.00 C ATOM 932 C ALA D 73 -3.549 -7.772 5.721 1.00 0.00 C ATOM 933 O ALA D 73 -4.059 -7.172 6.646 1.00 0.00 O ATOM 934 CB ALA D 73 -2.968 -10.010 6.689 1.00 0.00 C ATOM 0 H ALA D 73 -2.678 -10.529 4.430 1.00 0.00 H new ATOM 0 HA ALA D 73 -4.837 -9.361 5.793 1.00 0.00 H new ATOM 0 HB1 ALA D 73 -3.172 -9.580 7.669 1.00 0.00 H new ATOM 0 HB2 ALA D 73 -3.255 -11.062 6.687 1.00 0.00 H new ATOM 0 HB3 ALA D 73 -1.904 -9.924 6.470 1.00 0.00 H new ATOM 940 N ALA D 74 -2.901 -7.143 4.746 1.00 0.00 N ATOM 941 CA ALA D 74 -3.144 -5.754 4.447 1.00 0.00 C ATOM 942 C ALA D 74 -3.889 -5.563 3.145 1.00 0.00 C ATOM 943 O ALA D 74 -4.893 -4.869 3.066 1.00 0.00 O ATOM 944 CB ALA D 74 -1.835 -4.993 4.422 1.00 0.00 C ATOM 0 H ALA D 74 -2.200 -7.585 4.151 1.00 0.00 H new ATOM 0 HA ALA D 74 -3.782 -5.359 5.238 1.00 0.00 H new ATOM 0 HB1 ALA D 74 -2.028 -3.944 4.195 1.00 0.00 H new ATOM 0 HB2 ALA D 74 -1.350 -5.071 5.395 1.00 0.00 H new ATOM 0 HB3 ALA D 74 -1.183 -5.415 3.657 1.00 0.00 H new ATOM 950 N ILE D 75 -3.359 -6.117 2.058 1.00 0.00 N ATOM 951 CA ILE D 75 -3.733 -5.811 0.700 1.00 0.00 C ATOM 952 C ILE D 75 -5.196 -6.073 0.393 1.00 0.00 C ATOM 953 O ILE D 75 -5.791 -5.347 -0.389 1.00 0.00 O ATOM 954 CB ILE D 75 -2.888 -6.571 -0.308 1.00 0.00 C ATOM 955 CG1 ILE D 75 -1.403 -6.555 0.027 1.00 0.00 C ATOM 956 CG2 ILE D 75 -3.099 -6.067 -1.721 1.00 0.00 C ATOM 957 CD1 ILE D 75 -0.807 -5.181 0.159 1.00 0.00 C ATOM 0 H ILE D 75 -2.624 -6.822 2.114 1.00 0.00 H new ATOM 0 HA ILE D 75 -3.554 -4.740 0.608 1.00 0.00 H new ATOM 0 HB ILE D 75 -3.231 -7.604 -0.248 1.00 0.00 H new ATOM 0 HG12 ILE D 75 -1.249 -7.095 0.961 1.00 0.00 H new ATOM 0 HG13 ILE D 75 -0.863 -7.098 -0.748 1.00 0.00 H new ATOM 0 HG21 ILE D 75 -2.475 -6.639 -2.408 1.00 0.00 H new ATOM 0 HG22 ILE D 75 -4.147 -6.186 -1.997 1.00 0.00 H new ATOM 0 HG23 ILE D 75 -2.827 -5.013 -1.776 1.00 0.00 H new ATOM 0 HD11 ILE D 75 0.253 -5.266 0.398 1.00 0.00 H new ATOM 0 HD12 ILE D 75 -0.925 -4.641 -0.781 1.00 0.00 H new ATOM 0 HD13 ILE D 75 -1.316 -4.638 0.955 1.00 0.00 H new ATOM 969 N LYS D 76 -5.812 -7.078 1.007 1.00 0.00 N ATOM 970 CA LYS D 76 -7.155 -7.519 0.711 1.00 0.00 C ATOM 971 C LYS D 76 -8.201 -6.549 1.230 1.00 0.00 C ATOM 972 O LYS D 76 -9.167 -6.301 0.528 1.00 0.00 O ATOM 973 CB LYS D 76 -7.230 -8.910 1.329 1.00 0.00 C ATOM 974 CG LYS D 76 -8.249 -9.920 0.837 1.00 0.00 C ATOM 975 CD LYS D 76 -9.560 -9.729 1.524 1.00 0.00 C ATOM 976 CE LYS D 76 -10.493 -10.843 1.122 1.00 0.00 C ATOM 977 NZ LYS D 76 -11.678 -10.932 1.912 1.00 0.00 N ATOM 0 H LYS D 76 -5.368 -7.621 1.748 1.00 0.00 H new ATOM 0 HA LYS D 76 -7.370 -7.554 -0.357 1.00 0.00 H new ATOM 0 HB2 LYS D 76 -6.246 -9.365 1.216 1.00 0.00 H new ATOM 0 HB3 LYS D 76 -7.399 -8.778 2.398 1.00 0.00 H new ATOM 0 HG2 LYS D 76 -8.379 -9.816 -0.240 1.00 0.00 H new ATOM 0 HG3 LYS D 76 -7.883 -10.930 1.018 1.00 0.00 H new ATOM 0 HD2 LYS D 76 -9.421 -9.726 2.605 1.00 0.00 H new ATOM 0 HD3 LYS D 76 -9.989 -8.764 1.255 1.00 0.00 H new ATOM 0 HE2 LYS D 76 -10.776 -10.705 0.078 1.00 0.00 H new ATOM 0 HE3 LYS D 76 -9.957 -11.790 1.184 1.00 0.00 H new ATOM 0 HZ1 LYS D 76 -12.264 -11.721 1.572 1.00 0.00 H new ATOM 0 HZ2 LYS D 76 -11.421 -11.095 2.906 1.00 0.00 H new ATOM 0 HZ3 LYS D 76 -12.214 -10.044 1.835 1.00 0.00 H new ATOM 991 N ALA D 77 -7.975 -5.924 2.385 1.00 0.00 N ATOM 992 CA ALA D 77 -8.679 -4.726 2.781 1.00 0.00 C ATOM 993 C ALA D 77 -8.311 -3.543 1.909 1.00 0.00 C ATOM 994 O ALA D 77 -9.168 -2.844 1.382 1.00 0.00 O ATOM 995 CB ALA D 77 -8.455 -4.481 4.259 1.00 0.00 C ATOM 0 H ALA D 77 -7.291 -6.245 3.070 1.00 0.00 H new ATOM 0 HA ALA D 77 -9.749 -4.864 2.627 1.00 0.00 H new ATOM 0 HB1 ALA D 77 -8.984 -3.578 4.562 1.00 0.00 H new ATOM 0 HB2 ALA D 77 -8.830 -5.331 4.830 1.00 0.00 H new ATOM 0 HB3 ALA D 77 -7.389 -4.358 4.450 1.00 0.00 H new ATOM 1001 N ILE D 78 -7.026 -3.326 1.640 1.00 0.00 N ATOM 1002 CA ILE D 78 -6.525 -2.100 1.065 1.00 0.00 C ATOM 1003 C ILE D 78 -6.922 -1.941 -0.390 1.00 0.00 C ATOM 1004 O ILE D 78 -7.360 -0.869 -0.775 1.00 0.00 O ATOM 1005 CB ILE D 78 -5.035 -1.937 1.328 1.00 0.00 C ATOM 1006 CG1 ILE D 78 -4.744 -1.605 2.782 1.00 0.00 C ATOM 1007 CG2 ILE D 78 -4.325 -0.985 0.382 1.00 0.00 C ATOM 1008 CD1 ILE D 78 -4.982 -0.182 3.211 1.00 0.00 C ATOM 0 H ILE D 78 -6.297 -4.016 1.822 1.00 0.00 H new ATOM 0 HA ILE D 78 -7.010 -1.266 1.573 1.00 0.00 H new ATOM 0 HB ILE D 78 -4.610 -2.918 1.114 1.00 0.00 H new ATOM 0 HG12 ILE D 78 -5.354 -2.256 3.408 1.00 0.00 H new ATOM 0 HG13 ILE D 78 -3.702 -1.852 2.986 1.00 0.00 H new ATOM 0 HG21 ILE D 78 -3.268 -0.932 0.645 1.00 0.00 H new ATOM 0 HG22 ILE D 78 -4.427 -1.346 -0.641 1.00 0.00 H new ATOM 0 HG23 ILE D 78 -4.769 0.007 0.463 1.00 0.00 H new ATOM 0 HD11 ILE D 78 -4.738 -0.075 4.268 1.00 0.00 H new ATOM 0 HD12 ILE D 78 -4.352 0.485 2.623 1.00 0.00 H new ATOM 0 HD13 ILE D 78 -6.029 0.075 3.053 1.00 0.00 H new ATOM 1020 N ALA D 79 -6.933 -3.000 -1.198 1.00 0.00 N ATOM 1021 CA ALA D 79 -7.406 -2.910 -2.557 1.00 0.00 C ATOM 1022 C ALA D 79 -8.883 -2.631 -2.691 1.00 0.00 C ATOM 1023 O ALA D 79 -9.296 -2.249 -3.739 1.00 0.00 O ATOM 1024 CB ALA D 79 -6.979 -4.171 -3.272 1.00 0.00 C ATOM 0 H ALA D 79 -6.616 -3.930 -0.923 1.00 0.00 H new ATOM 0 HA ALA D 79 -6.954 -2.035 -3.025 1.00 0.00 H new ATOM 0 HB1 ALA D 79 -7.321 -4.137 -4.306 1.00 0.00 H new ATOM 0 HB2 ALA D 79 -5.892 -4.250 -3.252 1.00 0.00 H new ATOM 0 HB3 ALA D 79 -7.415 -5.037 -2.774 1.00 0.00 H new ATOM 1030 N ALA D 80 -9.678 -2.761 -1.649 1.00 0.00 N ATOM 1031 CA ALA D 80 -11.074 -2.387 -1.568 1.00 0.00 C ATOM 1032 C ALA D 80 -11.225 -0.988 -1.009 1.00 0.00 C ATOM 1033 O ALA D 80 -12.018 -0.198 -1.485 1.00 0.00 O ATOM 1034 CB ALA D 80 -11.815 -3.431 -0.760 1.00 0.00 C ATOM 0 H ALA D 80 -9.340 -3.160 -0.773 1.00 0.00 H new ATOM 0 HA ALA D 80 -11.515 -2.359 -2.564 1.00 0.00 H new ATOM 0 HB1 ALA D 80 -12.868 -3.159 -0.693 1.00 0.00 H new ATOM 0 HB2 ALA D 80 -11.721 -4.402 -1.247 1.00 0.00 H new ATOM 0 HB3 ALA D 80 -11.389 -3.485 0.242 1.00 0.00 H new ATOM 1040 N ILE D 81 -10.416 -0.621 -0.025 1.00 0.00 N ATOM 1041 CA ILE D 81 -10.273 0.694 0.558 1.00 0.00 C ATOM 1042 C ILE D 81 -9.778 1.677 -0.490 1.00 0.00 C ATOM 1043 O ILE D 81 -10.215 2.819 -0.477 1.00 0.00 O ATOM 1044 CB ILE D 81 -9.376 0.620 1.786 1.00 0.00 C ATOM 1045 CG1 ILE D 81 -10.068 -0.090 2.938 1.00 0.00 C ATOM 1046 CG2 ILE D 81 -8.881 1.963 2.288 1.00 0.00 C ATOM 1047 CD1 ILE D 81 -9.132 -0.579 4.023 1.00 0.00 C ATOM 0 H ILE D 81 -9.794 -1.296 0.419 1.00 0.00 H new ATOM 0 HA ILE D 81 -11.241 1.063 0.898 1.00 0.00 H new ATOM 0 HB ILE D 81 -8.508 0.056 1.445 1.00 0.00 H new ATOM 0 HG12 ILE D 81 -10.797 0.588 3.382 1.00 0.00 H new ATOM 0 HG13 ILE D 81 -10.624 -0.941 2.544 1.00 0.00 H new ATOM 0 HG21 ILE D 81 -8.250 1.814 3.164 1.00 0.00 H new ATOM 0 HG22 ILE D 81 -8.304 2.454 1.505 1.00 0.00 H new ATOM 0 HG23 ILE D 81 -9.733 2.588 2.557 1.00 0.00 H new ATOM 0 HD11 ILE D 81 -9.708 -1.073 4.805 1.00 0.00 H new ATOM 0 HD12 ILE D 81 -8.419 -1.285 3.597 1.00 0.00 H new ATOM 0 HD13 ILE D 81 -8.594 0.268 4.449 1.00 0.00 H new ATOM 1059 N ILE D 82 -8.899 1.268 -1.399 1.00 0.00 N ATOM 1060 CA ILE D 82 -8.452 2.066 -2.513 1.00 0.00 C ATOM 1061 C ILE D 82 -9.597 2.472 -3.417 1.00 0.00 C ATOM 1062 O ILE D 82 -9.782 3.648 -3.676 1.00 0.00 O ATOM 1063 CB ILE D 82 -7.312 1.368 -3.243 1.00 0.00 C ATOM 1064 CG1 ILE D 82 -6.067 1.572 -2.399 1.00 0.00 C ATOM 1065 CG2 ILE D 82 -7.083 1.884 -4.652 1.00 0.00 C ATOM 1066 CD1 ILE D 82 -4.761 1.058 -2.976 1.00 0.00 C ATOM 0 H ILE D 82 -8.471 0.343 -1.371 1.00 0.00 H new ATOM 0 HA ILE D 82 -8.051 3.005 -2.130 1.00 0.00 H new ATOM 0 HB ILE D 82 -7.563 0.314 -3.364 1.00 0.00 H new ATOM 0 HG12 ILE D 82 -5.957 2.639 -2.207 1.00 0.00 H new ATOM 0 HG13 ILE D 82 -6.227 1.089 -1.435 1.00 0.00 H new ATOM 0 HG21 ILE D 82 -6.256 1.340 -5.109 1.00 0.00 H new ATOM 0 HG22 ILE D 82 -7.986 1.737 -5.245 1.00 0.00 H new ATOM 0 HG23 ILE D 82 -6.842 2.946 -4.616 1.00 0.00 H new ATOM 0 HD11 ILE D 82 -3.949 1.264 -2.279 1.00 0.00 H new ATOM 0 HD12 ILE D 82 -4.834 -0.017 -3.140 1.00 0.00 H new ATOM 0 HD13 ILE D 82 -4.561 1.557 -3.924 1.00 0.00 H new ATOM 1078 N LYS D 83 -10.390 1.493 -3.842 1.00 0.00 N ATOM 1079 CA LYS D 83 -11.592 1.682 -4.615 1.00 0.00 C ATOM 1080 C LYS D 83 -12.583 2.610 -3.941 1.00 0.00 C ATOM 1081 O LYS D 83 -13.167 3.447 -4.601 1.00 0.00 O ATOM 1082 CB LYS D 83 -12.183 0.323 -4.926 1.00 0.00 C ATOM 1083 CG LYS D 83 -13.301 0.351 -5.938 1.00 0.00 C ATOM 1084 CD LYS D 83 -12.941 0.732 -7.350 1.00 0.00 C ATOM 1085 CE LYS D 83 -12.022 -0.241 -7.934 1.00 0.00 C ATOM 1086 NZ LYS D 83 -11.843 -0.046 -9.314 1.00 0.00 N ATOM 0 H LYS D 83 -10.197 0.511 -3.644 1.00 0.00 H new ATOM 0 HA LYS D 83 -11.339 2.183 -5.549 1.00 0.00 H new ATOM 0 HB2 LYS D 83 -11.391 -0.329 -5.294 1.00 0.00 H new ATOM 0 HB3 LYS D 83 -12.556 -0.119 -4.002 1.00 0.00 H new ATOM 0 HG2 LYS D 83 -13.761 -0.637 -5.961 1.00 0.00 H new ATOM 0 HG3 LYS D 83 -14.061 1.048 -5.583 1.00 0.00 H new ATOM 0 HD2 LYS D 83 -13.845 0.794 -7.956 1.00 0.00 H new ATOM 0 HD3 LYS D 83 -12.483 1.721 -7.359 1.00 0.00 H new ATOM 0 HE2 LYS D 83 -11.057 -0.173 -7.432 1.00 0.00 H new ATOM 0 HE3 LYS D 83 -12.402 -1.247 -7.758 1.00 0.00 H new ATOM 0 HZ1 LYS D 83 -11.183 -0.760 -9.683 1.00 0.00 H new ATOM 0 HZ2 LYS D 83 -12.758 -0.137 -9.799 1.00 0.00 H new ATOM 0 HZ3 LYS D 83 -11.455 0.904 -9.483 1.00 0.00 H new ATOM 1100 N ALA D 84 -12.791 2.508 -2.633 1.00 0.00 N ATOM 1101 CA ALA D 84 -13.669 3.330 -1.836 1.00 0.00 C ATOM 1102 C ALA D 84 -13.107 4.707 -1.563 1.00 0.00 C ATOM 1103 O ALA D 84 -13.840 5.646 -1.393 1.00 0.00 O ATOM 1104 CB ALA D 84 -13.985 2.595 -0.554 1.00 0.00 C ATOM 0 H ALA D 84 -12.316 1.800 -2.073 1.00 0.00 H new ATOM 0 HA ALA D 84 -14.585 3.503 -2.402 1.00 0.00 H new ATOM 0 HB1 ALA D 84 -14.648 3.204 0.060 1.00 0.00 H new ATOM 0 HB2 ALA D 84 -14.473 1.649 -0.788 1.00 0.00 H new ATOM 0 HB3 ALA D 84 -13.061 2.401 -0.008 1.00 0.00 H new ATOM 1110 N GLY D 85 -11.806 4.866 -1.453 1.00 0.00 N ATOM 1111 CA GLY D 85 -11.075 6.035 -1.076 1.00 0.00 C ATOM 1112 C GLY D 85 -11.087 7.073 -2.160 1.00 0.00 C ATOM 1113 O GLY D 85 -11.305 8.217 -1.909 1.00 0.00 O ATOM 0 H GLY D 85 -11.175 4.089 -1.649 1.00 0.00 H new ATOM 0 HA2 GLY D 85 -11.504 6.455 -0.166 1.00 0.00 H new ATOM 0 HA3 GLY D 85 -10.045 5.761 -0.846 1.00 0.00 H new ATOM 1117 N GLY D 86 -10.901 6.670 -3.380 1.00 0.00 N ATOM 1118 CA GLY D 86 -10.860 7.522 -4.517 1.00 0.00 C ATOM 1119 C GLY D 86 -9.496 7.867 -5.043 1.00 0.00 C ATOM 1120 O GLY D 86 -9.358 8.773 -5.819 1.00 0.00 O ATOM 0 H GLY D 86 -10.767 5.687 -3.615 1.00 0.00 H new ATOM 0 HA2 GLY D 86 -11.426 7.049 -5.319 1.00 0.00 H new ATOM 0 HA3 GLY D 86 -11.375 8.450 -4.268 1.00 0.00 H new ATOM 1124 N TYR D 87 -8.503 7.133 -4.608 1.00 0.00 N ATOM 1125 CA TYR D 87 -7.141 7.239 -5.045 1.00 0.00 C ATOM 1126 C TYR D 87 -7.035 7.225 -6.539 1.00 0.00 C ATOM 1127 O TYR D 87 -7.429 6.362 -7.168 1.00 0.00 O ATOM 1128 CB TYR D 87 -6.337 6.087 -4.466 1.00 0.00 C ATOM 1129 CG TYR D 87 -5.893 6.159 -3.030 1.00 0.00 C ATOM 1130 CD1 TYR D 87 -4.900 7.002 -2.570 1.00 0.00 C ATOM 1131 CD2 TYR D 87 -6.426 5.218 -2.162 1.00 0.00 C ATOM 1132 CE1 TYR D 87 -4.380 6.822 -1.288 1.00 0.00 C ATOM 1133 CE2 TYR D 87 -5.876 4.986 -0.899 1.00 0.00 C ATOM 1134 CZ TYR D 87 -4.823 5.786 -0.464 1.00 0.00 C ATOM 1135 OH TYR D 87 -4.285 5.570 0.762 1.00 0.00 O ATOM 0 H TYR D 87 -8.634 6.408 -3.902 1.00 0.00 H new ATOM 0 HA TYR D 87 -6.745 8.191 -4.692 1.00 0.00 H new ATOM 0 HB2 TYR D 87 -6.930 5.180 -4.582 1.00 0.00 H new ATOM 0 HB3 TYR D 87 -5.445 5.966 -5.081 1.00 0.00 H new ATOM 0 HD1 TYR D 87 -4.528 7.797 -3.200 1.00 0.00 H new ATOM 0 HD2 TYR D 87 -7.290 4.649 -2.471 1.00 0.00 H new ATOM 0 HE1 TYR D 87 -3.619 7.498 -0.926 1.00 0.00 H new ATOM 0 HE2 TYR D 87 -6.262 4.198 -0.269 1.00 0.00 H new ATOM 0 HH TYR D 87 -4.797 6.064 1.436 1.00 0.00 H new