USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=0 USER MOD reduce.3.24.130724 removed 612 hydrogens (20 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 69 LYS NZ :NH3+ 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 ----------------------------------------------------------------- HETATM 1 C ACE A 1 3.694 12.919 -1.821 1.00 0.00 C HETATM 2 O ACE A 1 3.952 12.161 -2.742 1.00 0.00 O HETATM 3 CH3 ACE A 1 4.770 13.821 -1.262 1.00 0.00 C HETATM 0 H1 ACE A 1 4.466 14.862 -1.373 1.00 0.00 H new HETATM 0 H2 ACE A 1 4.920 13.598 -0.206 1.00 0.00 H new HETATM 0 H3 ACE A 1 5.701 13.655 -1.803 1.00 0.00 H new ATOM 7 N ALA A 2 2.482 13.046 -1.290 1.00 0.00 N ATOM 8 CA ALA A 2 1.288 12.434 -1.821 1.00 0.00 C ATOM 9 C ALA A 2 0.931 12.952 -3.200 1.00 0.00 C ATOM 10 O ALA A 2 -0.054 12.502 -3.764 1.00 0.00 O ATOM 11 CB ALA A 2 0.159 12.627 -0.832 1.00 0.00 C ATOM 0 H ALA A 2 2.308 13.598 -0.450 1.00 0.00 H new ATOM 0 HA ALA A 2 1.472 11.368 -1.954 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -0.749 12.168 -1.223 1.00 0.00 H new ATOM 0 HB2 ALA A 2 0.422 12.159 0.117 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -0.010 13.692 -0.677 1.00 0.00 H new ATOM 17 N LYS A 3 1.753 13.786 -3.833 1.00 0.00 N ATOM 18 CA LYS A 3 1.714 14.077 -5.243 1.00 0.00 C ATOM 19 C LYS A 3 1.849 12.848 -6.110 1.00 0.00 C ATOM 20 O LYS A 3 1.325 12.774 -7.203 1.00 0.00 O ATOM 21 CB LYS A 3 2.850 15.020 -5.565 1.00 0.00 C ATOM 22 CG LYS A 3 2.656 16.360 -4.961 1.00 0.00 C ATOM 23 CD LYS A 3 3.671 17.349 -5.407 1.00 0.00 C ATOM 24 CE LYS A 3 4.542 17.727 -4.627 1.00 0.00 C ATOM 25 NZ LYS A 3 5.460 18.722 -5.005 1.00 0.00 N ATOM 0 H LYS A 3 2.492 14.293 -3.346 1.00 0.00 H new ATOM 0 HA LYS A 3 0.740 14.517 -5.458 1.00 0.00 H new ATOM 0 HB2 LYS A 3 3.786 14.594 -5.205 1.00 0.00 H new ATOM 0 HB3 LYS A 3 2.940 15.121 -6.647 1.00 0.00 H new ATOM 0 HG2 LYS A 3 1.662 16.727 -5.216 1.00 0.00 H new ATOM 0 HG3 LYS A 3 2.694 16.272 -3.875 1.00 0.00 H new ATOM 0 HD2 LYS A 3 4.175 16.927 -6.277 1.00 0.00 H new ATOM 0 HD3 LYS A 3 3.134 18.234 -5.748 1.00 0.00 H new ATOM 0 HE2 LYS A 3 4.036 18.081 -3.729 1.00 0.00 H new ATOM 0 HE3 LYS A 3 5.120 16.848 -4.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 6.115 18.907 -4.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 5.998 18.401 -5.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 4.947 19.596 -5.241 1.00 0.00 H new ATOM 39 N ALA A 4 2.522 11.830 -5.589 1.00 0.00 N ATOM 40 CA ALA A 4 2.688 10.532 -6.193 1.00 0.00 C ATOM 41 C ALA A 4 1.573 9.545 -5.916 1.00 0.00 C ATOM 42 O ALA A 4 1.612 8.418 -6.388 1.00 0.00 O ATOM 43 CB ALA A 4 3.990 10.010 -5.605 1.00 0.00 C ATOM 0 H ALA A 4 2.988 11.901 -4.685 1.00 0.00 H new ATOM 0 HA ALA A 4 2.683 10.635 -7.278 1.00 0.00 H new ATOM 0 HB1 ALA A 4 4.201 9.020 -6.009 1.00 0.00 H new ATOM 0 HB2 ALA A 4 4.803 10.688 -5.863 1.00 0.00 H new ATOM 0 HB3 ALA A 4 3.900 9.948 -4.520 1.00 0.00 H new ATOM 49 N ALA A 5 0.582 9.914 -5.112 1.00 0.00 N ATOM 50 CA ALA A 5 -0.339 8.961 -4.540 1.00 0.00 C ATOM 51 C ALA A 5 -1.160 8.213 -5.573 1.00 0.00 C ATOM 52 O ALA A 5 -1.213 6.997 -5.464 1.00 0.00 O ATOM 53 CB ALA A 5 -1.193 9.615 -3.469 1.00 0.00 C ATOM 0 H ALA A 5 0.402 10.881 -4.844 1.00 0.00 H new ATOM 0 HA ALA A 5 0.262 8.189 -4.060 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -1.880 8.879 -3.051 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -0.551 10.002 -2.678 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -1.762 10.434 -3.908 1.00 0.00 H new ATOM 59 N ALA A 6 -1.714 8.872 -6.584 1.00 0.00 N ATOM 60 CA ALA A 6 -2.485 8.199 -7.597 1.00 0.00 C ATOM 61 C ALA A 6 -1.738 7.033 -8.212 1.00 0.00 C ATOM 62 O ALA A 6 -2.231 5.913 -8.259 1.00 0.00 O ATOM 63 CB ALA A 6 -2.983 9.231 -8.584 1.00 0.00 C ATOM 0 H ALA A 6 -1.637 9.881 -6.716 1.00 0.00 H new ATOM 0 HA ALA A 6 -3.359 7.723 -7.153 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -3.570 8.739 -9.360 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -3.606 9.960 -8.065 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -2.133 9.739 -9.039 1.00 0.00 H new ATOM 69 N ALA A 7 -0.479 7.267 -8.576 1.00 0.00 N ATOM 70 CA ALA A 7 0.455 6.293 -9.078 1.00 0.00 C ATOM 71 C ALA A 7 0.722 5.133 -8.149 1.00 0.00 C ATOM 72 O ALA A 7 0.945 4.049 -8.638 1.00 0.00 O ATOM 73 CB ALA A 7 1.744 6.972 -9.468 1.00 0.00 C ATOM 0 H ALA A 7 -0.071 8.200 -8.521 1.00 0.00 H new ATOM 0 HA ALA A 7 -0.020 5.848 -9.953 1.00 0.00 H new ATOM 0 HB1 ALA A 7 2.446 6.229 -9.847 1.00 0.00 H new ATOM 0 HB2 ALA A 7 1.545 7.712 -10.243 1.00 0.00 H new ATOM 0 HB3 ALA A 7 2.173 7.466 -8.596 1.00 0.00 H new ATOM 79 N ALA A 8 0.655 5.290 -6.835 1.00 0.00 N ATOM 80 CA ALA A 8 0.744 4.204 -5.892 1.00 0.00 C ATOM 81 C ALA A 8 -0.573 3.466 -5.859 1.00 0.00 C ATOM 82 O ALA A 8 -0.640 2.275 -6.096 1.00 0.00 O ATOM 83 CB ALA A 8 1.081 4.772 -4.535 1.00 0.00 C ATOM 0 H ALA A 8 0.534 6.201 -6.393 1.00 0.00 H new ATOM 0 HA ALA A 8 1.524 3.501 -6.184 1.00 0.00 H new ATOM 0 HB1 ALA A 8 1.152 3.962 -3.809 1.00 0.00 H new ATOM 0 HB2 ALA A 8 2.035 5.297 -4.587 1.00 0.00 H new ATOM 0 HB3 ALA A 8 0.300 5.467 -4.227 1.00 0.00 H new ATOM 89 N ILE A 9 -1.634 4.186 -5.537 1.00 0.00 N ATOM 90 CA ILE A 9 -2.894 3.612 -5.134 1.00 0.00 C ATOM 91 C ILE A 9 -3.557 2.859 -6.269 1.00 0.00 C ATOM 92 O ILE A 9 -4.121 1.795 -6.062 1.00 0.00 O ATOM 93 CB ILE A 9 -3.837 4.657 -4.602 1.00 0.00 C ATOM 94 CG1 ILE A 9 -3.265 5.636 -3.599 1.00 0.00 C ATOM 95 CG2 ILE A 9 -5.073 3.970 -4.046 1.00 0.00 C ATOM 96 CD1 ILE A 9 -2.854 5.116 -2.262 1.00 0.00 C ATOM 0 H ILE A 9 -1.638 5.206 -5.551 1.00 0.00 H new ATOM 0 HA ILE A 9 -2.668 2.907 -4.334 1.00 0.00 H new ATOM 0 HB ILE A 9 -4.079 5.290 -5.456 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -2.395 6.109 -4.054 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -4.006 6.419 -3.438 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -5.762 4.720 -3.658 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -5.562 3.403 -4.838 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -4.783 3.294 -3.242 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -2.465 5.935 -1.657 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -3.716 4.674 -1.763 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -2.080 4.359 -2.388 1.00 0.00 H new ATOM 108 N LYS A 10 -3.485 3.397 -7.485 1.00 0.00 N ATOM 109 CA LYS A 10 -4.210 2.904 -8.635 1.00 0.00 C ATOM 110 C LYS A 10 -3.617 1.611 -9.164 1.00 0.00 C ATOM 111 O LYS A 10 -4.346 0.817 -9.747 1.00 0.00 O ATOM 112 CB LYS A 10 -4.277 4.000 -9.690 1.00 0.00 C ATOM 113 CG LYS A 10 -5.261 5.111 -9.383 1.00 0.00 C ATOM 114 CD LYS A 10 -5.310 6.097 -10.532 1.00 0.00 C ATOM 115 CE LYS A 10 -6.296 7.198 -10.268 1.00 0.00 C ATOM 116 NZ LYS A 10 -6.435 8.088 -11.407 1.00 0.00 N ATOM 0 H LYS A 10 -2.903 4.208 -7.694 1.00 0.00 H new ATOM 0 HA LYS A 10 -5.229 2.653 -8.339 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -3.284 4.434 -9.808 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -4.544 3.550 -10.646 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -6.252 4.692 -9.211 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -4.968 5.623 -8.466 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -4.319 6.524 -10.690 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -5.582 5.575 -11.450 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -7.267 6.765 -10.026 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -5.976 7.770 -9.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -7.125 8.833 -11.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -5.515 8.521 -11.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -6.765 7.547 -12.232 1.00 0.00 H new ATOM 130 N ALA A 11 -2.339 1.353 -8.906 1.00 0.00 N ATOM 131 CA ALA A 11 -1.728 0.049 -8.994 1.00 0.00 C ATOM 132 C ALA A 11 -2.223 -0.852 -7.876 1.00 0.00 C ATOM 133 O ALA A 11 -2.895 -1.850 -8.107 1.00 0.00 O ATOM 134 CB ALA A 11 -0.218 0.204 -9.052 1.00 0.00 C ATOM 0 H ALA A 11 -1.683 2.080 -8.620 1.00 0.00 H new ATOM 0 HA ALA A 11 -2.025 -0.452 -9.915 1.00 0.00 H new ATOM 0 HB1 ALA A 11 0.246 -0.780 -9.119 1.00 0.00 H new ATOM 0 HB2 ALA A 11 0.054 0.794 -9.928 1.00 0.00 H new ATOM 0 HB3 ALA A 11 0.131 0.710 -8.152 1.00 0.00 H new ATOM 140 N ILE A 12 -1.952 -0.445 -6.638 1.00 0.00 N ATOM 141 CA ILE A 12 -2.097 -1.289 -5.471 1.00 0.00 C ATOM 142 C ILE A 12 -3.540 -1.738 -5.318 1.00 0.00 C ATOM 143 O ILE A 12 -3.755 -2.944 -5.309 1.00 0.00 O ATOM 144 CB ILE A 12 -1.441 -0.664 -4.250 1.00 0.00 C ATOM 145 CG1 ILE A 12 -0.736 -1.693 -3.409 1.00 0.00 C ATOM 146 CG2 ILE A 12 -2.341 0.242 -3.434 1.00 0.00 C ATOM 147 CD1 ILE A 12 -1.059 -2.273 -2.434 1.00 0.00 C ATOM 0 H ILE A 12 -1.621 0.495 -6.422 1.00 0.00 H new ATOM 0 HA ILE A 12 -1.541 -2.217 -5.601 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.685 0.011 -4.650 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -0.486 -2.484 -4.116 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.200 -1.209 -3.129 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -1.784 0.639 -2.585 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -2.690 1.066 -4.057 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -3.197 -0.327 -3.072 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.256 -2.943 -2.126 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.262 -1.559 -1.636 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.958 -2.854 -2.638 1.00 0.00 H new ATOM 159 N ALA A 13 -4.539 -0.860 -5.328 1.00 0.00 N ATOM 160 CA ALA A 13 -5.931 -1.210 -5.175 1.00 0.00 C ATOM 161 C ALA A 13 -6.565 -1.836 -6.399 1.00 0.00 C ATOM 162 O ALA A 13 -7.762 -1.960 -6.451 1.00 0.00 O ATOM 163 CB ALA A 13 -6.670 -0.013 -4.613 1.00 0.00 C ATOM 0 H ALA A 13 -4.388 0.142 -5.447 1.00 0.00 H new ATOM 0 HA ALA A 13 -6.007 -2.027 -4.458 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -7.724 -0.261 -4.491 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -6.246 0.255 -3.645 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -6.572 0.829 -5.298 1.00 0.00 H new ATOM 169 N ALA A 14 -5.764 -2.326 -7.328 1.00 0.00 N ATOM 170 CA ALA A 14 -6.093 -3.285 -8.359 1.00 0.00 C ATOM 171 C ALA A 14 -5.330 -4.584 -8.185 1.00 0.00 C ATOM 172 O ALA A 14 -5.887 -5.665 -8.288 1.00 0.00 O ATOM 173 CB ALA A 14 -5.896 -2.638 -9.717 1.00 0.00 C ATOM 0 H ALA A 14 -4.787 -2.037 -7.382 1.00 0.00 H new ATOM 0 HA ALA A 14 -7.142 -3.569 -8.277 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -6.142 -3.355 -10.501 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -6.547 -1.768 -9.803 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -4.857 -2.326 -9.824 1.00 0.00 H new ATOM 179 N ILE A 15 -4.073 -4.522 -7.760 1.00 0.00 N ATOM 180 CA ILE A 15 -3.235 -5.644 -7.402 1.00 0.00 C ATOM 181 C ILE A 15 -3.774 -6.363 -6.178 1.00 0.00 C ATOM 182 O ILE A 15 -3.764 -7.586 -6.164 1.00 0.00 O ATOM 183 CB ILE A 15 -1.805 -5.163 -7.209 1.00 0.00 C ATOM 184 CG1 ILE A 15 -1.227 -4.605 -8.497 1.00 0.00 C ATOM 185 CG2 ILE A 15 -0.879 -6.250 -6.714 1.00 0.00 C ATOM 186 CD1 ILE A 15 -0.045 -3.671 -8.294 1.00 0.00 C ATOM 0 H ILE A 15 -3.590 -3.630 -7.652 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.241 -6.375 -8.211 1.00 0.00 H new ATOM 0 HB ILE A 15 -1.867 -4.382 -6.451 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.916 -5.434 -9.132 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -2.011 -4.070 -9.033 1.00 0.00 H new ATOM 0 HG21 ILE A 15 0.126 -5.846 -6.596 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -1.236 -6.622 -5.754 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -0.859 -7.067 -7.435 1.00 0.00 H new ATOM 0 HD11 ILE A 15 0.309 -3.316 -9.262 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -0.354 -2.820 -7.686 1.00 0.00 H new ATOM 0 HD13 ILE A 15 0.759 -4.206 -7.788 1.00 0.00 H new ATOM 198 N ILE A 16 -4.323 -5.651 -5.197 1.00 0.00 N ATOM 199 CA ILE A 16 -5.086 -6.110 -4.057 1.00 0.00 C ATOM 200 C ILE A 16 -6.132 -7.127 -4.477 1.00 0.00 C ATOM 201 O ILE A 16 -6.166 -8.255 -4.003 1.00 0.00 O ATOM 202 CB ILE A 16 -5.773 -4.932 -3.380 1.00 0.00 C ATOM 203 CG1 ILE A 16 -4.741 -4.014 -2.745 1.00 0.00 C ATOM 204 CG2 ILE A 16 -6.715 -5.397 -2.281 1.00 0.00 C ATOM 205 CD1 ILE A 16 -4.294 -4.256 -1.318 1.00 0.00 C ATOM 0 H ILE A 16 -4.230 -4.635 -5.188 1.00 0.00 H new ATOM 0 HA ILE A 16 -4.396 -6.584 -3.359 1.00 0.00 H new ATOM 0 HB ILE A 16 -6.338 -4.406 -4.150 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -3.851 -4.042 -3.374 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -5.135 -2.999 -2.795 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -7.189 -4.532 -1.818 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -7.480 -6.045 -2.708 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -6.152 -5.948 -1.528 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -3.556 -3.505 -1.035 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -5.154 -4.189 -0.651 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -3.850 -5.248 -1.239 1.00 0.00 H new ATOM 217 N LYS A 17 -6.993 -6.691 -5.387 1.00 0.00 N ATOM 218 CA LYS A 17 -8.204 -7.321 -5.856 1.00 0.00 C ATOM 219 C LYS A 17 -7.929 -8.564 -6.680 1.00 0.00 C ATOM 220 O LYS A 17 -8.604 -9.570 -6.532 1.00 0.00 O ATOM 221 CB LYS A 17 -8.859 -6.230 -6.683 1.00 0.00 C ATOM 222 CG LYS A 17 -9.296 -5.038 -5.874 1.00 0.00 C ATOM 223 CD LYS A 17 -10.261 -4.181 -6.615 1.00 0.00 C ATOM 224 CE LYS A 17 -10.747 -3.038 -5.784 1.00 0.00 C ATOM 225 NZ LYS A 17 -11.802 -2.669 -5.916 1.00 0.00 N ATOM 0 H LYS A 17 -6.838 -5.799 -5.857 1.00 0.00 H new ATOM 0 HA LYS A 17 -8.833 -7.679 -5.041 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -8.160 -5.900 -7.452 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -9.725 -6.646 -7.197 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -9.754 -5.379 -4.945 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -8.422 -4.446 -5.600 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -9.786 -3.797 -7.518 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -11.111 -4.784 -6.934 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -10.627 -3.320 -4.738 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -10.080 -2.195 -5.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -11.976 -1.876 -5.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -11.938 -2.350 -6.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -12.468 -3.440 -5.707 1.00 0.00 H new ATOM 239 N ALA A 18 -6.903 -8.462 -7.518 1.00 0.00 N ATOM 240 CA ALA A 18 -6.304 -9.524 -8.291 1.00 0.00 C ATOM 241 C ALA A 18 -5.614 -10.543 -7.413 1.00 0.00 C ATOM 242 O ALA A 18 -5.696 -11.714 -7.678 1.00 0.00 O ATOM 243 CB ALA A 18 -5.388 -8.888 -9.319 1.00 0.00 C ATOM 0 H ALA A 18 -6.441 -7.567 -7.681 1.00 0.00 H new ATOM 0 HA ALA A 18 -7.072 -10.096 -8.812 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -4.919 -9.667 -9.920 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -5.968 -8.230 -9.966 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -4.617 -8.309 -8.811 1.00 0.00 H new ATOM 249 N GLY A 19 -4.973 -10.104 -6.343 1.00 0.00 N ATOM 250 CA GLY A 19 -4.283 -10.946 -5.397 1.00 0.00 C ATOM 251 C GLY A 19 -5.196 -11.672 -4.433 1.00 0.00 C ATOM 252 O GLY A 19 -4.907 -12.739 -4.067 1.00 0.00 O ATOM 0 H GLY A 19 -4.921 -9.113 -6.106 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -3.693 -11.681 -5.944 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -3.583 -10.335 -4.827 1.00 0.00 H new ATOM 256 N GLY A 20 -6.300 -11.092 -4.042 1.00 0.00 N ATOM 257 CA GLY A 20 -7.256 -11.623 -3.103 1.00 0.00 C ATOM 258 C GLY A 20 -6.982 -11.260 -1.669 1.00 0.00 C ATOM 259 O GLY A 20 -7.553 -11.831 -0.802 1.00 0.00 O ATOM 0 H GLY A 20 -6.574 -10.175 -4.394 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -8.250 -11.265 -3.373 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -7.272 -12.709 -3.194 1.00 0.00 H new ATOM 263 N PHE A 21 -6.079 -10.341 -1.408 1.00 0.00 N ATOM 264 CA PHE A 21 -5.537 -10.020 -0.126 1.00 0.00 C ATOM 265 C PHE A 21 -6.144 -8.816 0.533 1.00 0.00 C ATOM 266 O PHE A 21 -5.935 -8.608 1.698 1.00 0.00 O ATOM 267 CB PHE A 21 -4.034 -10.151 -0.103 1.00 0.00 C ATOM 268 CG PHE A 21 -3.075 -9.370 -0.943 1.00 0.00 C ATOM 269 CD1 PHE A 21 -3.418 -8.602 -2.051 1.00 0.00 C ATOM 270 CD2 PHE A 21 -1.737 -9.524 -0.641 1.00 0.00 C ATOM 271 CE1 PHE A 21 -2.443 -8.035 -2.869 1.00 0.00 C ATOM 272 CE2 PHE A 21 -0.735 -8.937 -1.407 1.00 0.00 C ATOM 273 CZ PHE A 21 -1.109 -8.231 -2.546 1.00 0.00 C ATOM 0 H PHE A 21 -5.682 -9.762 -2.148 1.00 0.00 H new ATOM 0 HA PHE A 21 -5.870 -10.790 0.570 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -3.738 -9.969 0.930 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -3.826 -11.200 -0.315 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -4.461 -8.442 -2.282 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -1.459 -10.119 0.217 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -2.721 -7.455 -3.737 1.00 0.00 H new ATOM 0 HE2 PHE A 21 0.304 -9.027 -1.125 1.00 0.00 H new ATOM 0 HZ PHE A 21 -0.344 -7.827 -3.192 1.00 0.00 H new HETATM 283 N NH2 A 22 -7.017 -8.081 -0.112 1.00 0.00 N TER 286 NH2 A 22 HETATM 287 C ACE B 23 -0.551 -13.143 0.478 1.00 0.00 C HETATM 288 O ACE B 23 -1.122 -12.653 1.420 1.00 0.00 O HETATM 289 CH3 ACE B 23 0.905 -13.478 0.604 1.00 0.00 C HETATM 0 H1 ACE B 23 1.047 -14.547 0.446 1.00 0.00 H new HETATM 0 H2 ACE B 23 1.472 -12.922 -0.142 1.00 0.00 H new HETATM 0 H3 ACE B 23 1.255 -13.209 1.601 1.00 0.00 H new ATOM 293 N ALA B 24 -1.204 -13.387 -0.640 1.00 0.00 N ATOM 294 CA ALA B 24 -0.772 -14.037 -1.841 1.00 0.00 C ATOM 295 C ALA B 24 0.482 -13.473 -2.447 1.00 0.00 C ATOM 296 O ALA B 24 0.818 -12.323 -2.237 1.00 0.00 O ATOM 297 CB ALA B 24 -1.911 -14.024 -2.816 1.00 0.00 C ATOM 0 H ALA B 24 -2.176 -13.091 -0.728 1.00 0.00 H new ATOM 0 HA ALA B 24 -0.496 -15.058 -1.579 1.00 0.00 H new ATOM 0 HB1 ALA B 24 -1.605 -14.515 -3.740 1.00 0.00 H new ATOM 0 HB2 ALA B 24 -2.762 -14.554 -2.388 1.00 0.00 H new ATOM 0 HB3 ALA B 24 -2.196 -12.994 -3.029 1.00 0.00 H new ATOM 303 N LYS B 25 1.162 -14.241 -3.281 1.00 0.00 N ATOM 304 CA LYS B 25 2.338 -13.864 -4.023 1.00 0.00 C ATOM 305 C LYS B 25 2.213 -12.652 -4.912 1.00 0.00 C ATOM 306 O LYS B 25 3.218 -12.125 -5.324 1.00 0.00 O ATOM 307 CB LYS B 25 2.878 -15.043 -4.807 1.00 0.00 C ATOM 308 CG LYS B 25 3.347 -16.182 -3.959 1.00 0.00 C ATOM 309 CD LYS B 25 3.966 -17.344 -4.699 1.00 0.00 C ATOM 310 CE LYS B 25 3.018 -17.971 -5.597 1.00 0.00 C ATOM 311 NZ LYS B 25 3.546 -19.158 -6.225 1.00 0.00 N ATOM 0 H LYS B 25 0.884 -15.205 -3.465 1.00 0.00 H new ATOM 0 HA LYS B 25 3.045 -13.556 -3.252 1.00 0.00 H new ATOM 0 HB2 LYS B 25 2.101 -15.403 -5.481 1.00 0.00 H new ATOM 0 HB3 LYS B 25 3.706 -14.703 -5.428 1.00 0.00 H new ATOM 0 HG2 LYS B 25 4.077 -15.801 -3.244 1.00 0.00 H new ATOM 0 HG3 LYS B 25 2.500 -16.553 -3.382 1.00 0.00 H new ATOM 0 HD2 LYS B 25 4.830 -16.996 -5.266 1.00 0.00 H new ATOM 0 HD3 LYS B 25 4.330 -18.080 -3.982 1.00 0.00 H new ATOM 0 HE2 LYS B 25 2.115 -18.229 -5.043 1.00 0.00 H new ATOM 0 HE3 LYS B 25 2.726 -17.257 -6.367 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 2.827 -19.566 -6.856 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 4.392 -18.911 -6.777 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 3.800 -19.853 -5.495 1.00 0.00 H new ATOM 325 N ALA B 26 1.006 -12.136 -5.121 1.00 0.00 N ATOM 326 CA ALA B 26 0.692 -10.775 -5.477 1.00 0.00 C ATOM 327 C ALA B 26 1.419 -9.715 -4.674 1.00 0.00 C ATOM 328 O ALA B 26 1.551 -8.588 -5.125 1.00 0.00 O ATOM 329 CB ALA B 26 -0.806 -10.659 -5.259 1.00 0.00 C ATOM 0 H ALA B 26 0.166 -12.709 -5.037 1.00 0.00 H new ATOM 0 HA ALA B 26 1.014 -10.588 -6.501 1.00 0.00 H new ATOM 0 HB1 ALA B 26 -1.133 -9.649 -5.507 1.00 0.00 H new ATOM 0 HB2 ALA B 26 -1.323 -11.375 -5.898 1.00 0.00 H new ATOM 0 HB3 ALA B 26 -1.039 -10.869 -4.215 1.00 0.00 H new ATOM 335 N ALA B 27 1.944 -10.045 -3.495 1.00 0.00 N ATOM 336 CA ALA B 27 2.751 -9.188 -2.663 1.00 0.00 C ATOM 337 C ALA B 27 3.935 -8.601 -3.409 1.00 0.00 C ATOM 338 O ALA B 27 4.097 -7.393 -3.441 1.00 0.00 O ATOM 339 CB ALA B 27 3.116 -9.936 -1.388 1.00 0.00 C ATOM 0 H ALA B 27 1.804 -10.968 -3.083 1.00 0.00 H new ATOM 0 HA ALA B 27 2.173 -8.310 -2.373 1.00 0.00 H new ATOM 0 HB1 ALA B 27 3.727 -9.295 -0.752 1.00 0.00 H new ATOM 0 HB2 ALA B 27 2.206 -10.214 -0.856 1.00 0.00 H new ATOM 0 HB3 ALA B 27 3.677 -10.836 -1.642 1.00 0.00 H new ATOM 345 N ALA B 28 4.715 -9.399 -4.124 1.00 0.00 N ATOM 346 CA ALA B 28 5.838 -8.933 -4.899 1.00 0.00 C ATOM 347 C ALA B 28 5.483 -8.022 -6.049 1.00 0.00 C ATOM 348 O ALA B 28 6.341 -7.439 -6.634 1.00 0.00 O ATOM 349 CB ALA B 28 6.666 -10.106 -5.344 1.00 0.00 C ATOM 0 H ALA B 28 4.575 -10.408 -4.178 1.00 0.00 H new ATOM 0 HA ALA B 28 6.427 -8.297 -4.238 1.00 0.00 H new ATOM 0 HB1 ALA B 28 7.514 -9.751 -5.930 1.00 0.00 H new ATOM 0 HB2 ALA B 28 7.029 -10.647 -4.470 1.00 0.00 H new ATOM 0 HB3 ALA B 28 6.056 -10.771 -5.955 1.00 0.00 H new ATOM 355 N ALA B 29 4.212 -7.829 -6.360 1.00 0.00 N ATOM 356 CA ALA B 29 3.695 -6.755 -7.172 1.00 0.00 C ATOM 357 C ALA B 29 3.224 -5.579 -6.344 1.00 0.00 C ATOM 358 O ALA B 29 3.556 -4.449 -6.649 1.00 0.00 O ATOM 359 CB ALA B 29 2.595 -7.328 -8.041 1.00 0.00 C ATOM 0 H ALA B 29 3.478 -8.456 -6.031 1.00 0.00 H new ATOM 0 HA ALA B 29 4.489 -6.350 -7.799 1.00 0.00 H new ATOM 0 HB1 ALA B 29 2.181 -6.540 -8.670 1.00 0.00 H new ATOM 0 HB2 ALA B 29 3.003 -8.118 -8.671 1.00 0.00 H new ATOM 0 HB3 ALA B 29 1.808 -7.739 -7.408 1.00 0.00 H new ATOM 365 N ALA B 30 2.455 -5.762 -5.281 1.00 0.00 N ATOM 366 CA ALA B 30 1.753 -4.727 -4.556 1.00 0.00 C ATOM 367 C ALA B 30 2.726 -3.878 -3.759 1.00 0.00 C ATOM 368 O ALA B 30 2.667 -2.656 -3.773 1.00 0.00 O ATOM 369 CB ALA B 30 0.753 -5.369 -3.606 1.00 0.00 C ATOM 0 H ALA B 30 2.299 -6.689 -4.884 1.00 0.00 H new ATOM 0 HA ALA B 30 1.235 -4.088 -5.271 1.00 0.00 H new ATOM 0 HB1 ALA B 30 0.222 -4.591 -3.057 1.00 0.00 H new ATOM 0 HB2 ALA B 30 0.039 -5.963 -4.176 1.00 0.00 H new ATOM 0 HB3 ALA B 30 1.281 -6.013 -2.903 1.00 0.00 H new ATOM 375 N ILE B 31 3.627 -4.551 -3.047 1.00 0.00 N ATOM 376 CA ILE B 31 4.644 -3.945 -2.218 1.00 0.00 C ATOM 377 C ILE B 31 5.572 -3.107 -3.080 1.00 0.00 C ATOM 378 O ILE B 31 5.826 -1.959 -2.747 1.00 0.00 O ATOM 379 CB ILE B 31 5.421 -5.049 -1.519 1.00 0.00 C ATOM 380 CG1 ILE B 31 4.563 -6.014 -0.715 1.00 0.00 C ATOM 381 CG2 ILE B 31 6.576 -4.510 -0.688 1.00 0.00 C ATOM 382 CD1 ILE B 31 3.647 -5.452 0.361 1.00 0.00 C ATOM 0 H ILE B 31 3.663 -5.570 -3.037 1.00 0.00 H new ATOM 0 HA ILE B 31 4.186 -3.295 -1.472 1.00 0.00 H new ATOM 0 HB ILE B 31 5.840 -5.640 -2.334 1.00 0.00 H new ATOM 0 HG12 ILE B 31 3.944 -6.571 -1.418 1.00 0.00 H new ATOM 0 HG13 ILE B 31 5.230 -6.732 -0.239 1.00 0.00 H new ATOM 0 HG21 ILE B 31 7.098 -5.339 -0.210 1.00 0.00 H new ATOM 0 HG22 ILE B 31 7.268 -3.970 -1.334 1.00 0.00 H new ATOM 0 HG23 ILE B 31 6.191 -3.835 0.076 1.00 0.00 H new ATOM 0 HD11 ILE B 31 3.105 -6.268 0.840 1.00 0.00 H new ATOM 0 HD12 ILE B 31 4.242 -4.924 1.106 1.00 0.00 H new ATOM 0 HD13 ILE B 31 2.936 -4.761 -0.091 1.00 0.00 H new ATOM 394 N LYS B 32 5.998 -3.631 -4.230 1.00 0.00 N ATOM 395 CA LYS B 32 6.816 -2.927 -5.192 1.00 0.00 C ATOM 396 C LYS B 32 6.107 -1.700 -5.736 1.00 0.00 C ATOM 397 O LYS B 32 6.660 -0.619 -5.691 1.00 0.00 O ATOM 398 CB LYS B 32 7.318 -3.870 -6.274 1.00 0.00 C ATOM 399 CG LYS B 32 8.228 -4.964 -5.754 1.00 0.00 C ATOM 400 CD LYS B 32 9.509 -4.523 -5.153 1.00 0.00 C ATOM 401 CE LYS B 32 10.378 -5.633 -4.797 1.00 0.00 C ATOM 402 NZ LYS B 32 11.573 -5.347 -4.141 1.00 0.00 N ATOM 0 H LYS B 32 5.772 -4.583 -4.517 1.00 0.00 H new ATOM 0 HA LYS B 32 7.702 -2.550 -4.682 1.00 0.00 H new ATOM 0 HB2 LYS B 32 6.462 -4.327 -6.771 1.00 0.00 H new ATOM 0 HB3 LYS B 32 7.853 -3.292 -7.028 1.00 0.00 H new ATOM 0 HG2 LYS B 32 7.680 -5.539 -5.007 1.00 0.00 H new ATOM 0 HG3 LYS B 32 8.452 -5.643 -6.577 1.00 0.00 H new ATOM 0 HD2 LYS B 32 10.029 -3.872 -5.855 1.00 0.00 H new ATOM 0 HD3 LYS B 32 9.302 -3.930 -4.262 1.00 0.00 H new ATOM 0 HE2 LYS B 32 9.807 -6.315 -4.167 1.00 0.00 H new ATOM 0 HE3 LYS B 32 10.621 -6.173 -5.712 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 12.086 -6.232 -3.952 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 12.158 -4.729 -4.739 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 11.369 -4.866 -3.242 1.00 0.00 H new ATOM 416 N ALA B 33 4.842 -1.832 -6.117 1.00 0.00 N ATOM 417 CA ALA B 33 4.011 -0.766 -6.625 1.00 0.00 C ATOM 418 C ALA B 33 3.677 0.335 -5.636 1.00 0.00 C ATOM 419 O ALA B 33 3.157 1.364 -6.030 1.00 0.00 O ATOM 420 CB ALA B 33 2.795 -1.405 -7.264 1.00 0.00 C ATOM 0 H ALA B 33 4.354 -2.727 -6.075 1.00 0.00 H new ATOM 0 HA ALA B 33 4.583 -0.211 -7.369 1.00 0.00 H new ATOM 0 HB1 ALA B 33 2.142 -0.628 -7.660 1.00 0.00 H new ATOM 0 HB2 ALA B 33 3.112 -2.061 -8.075 1.00 0.00 H new ATOM 0 HB3 ALA B 33 2.255 -1.987 -6.517 1.00 0.00 H new ATOM 426 N ILE B 34 4.040 0.183 -4.366 1.00 0.00 N ATOM 427 CA ILE B 34 3.935 1.164 -3.312 1.00 0.00 C ATOM 428 C ILE B 34 5.281 1.571 -2.745 1.00 0.00 C ATOM 429 O ILE B 34 5.559 2.758 -2.743 1.00 0.00 O ATOM 430 CB ILE B 34 2.860 0.719 -2.336 1.00 0.00 C ATOM 431 CG1 ILE B 34 1.702 1.692 -2.278 1.00 0.00 C ATOM 432 CG2 ILE B 34 3.321 0.274 -0.975 1.00 0.00 C ATOM 433 CD1 ILE B 34 1.958 2.932 -1.462 1.00 0.00 C ATOM 0 H ILE B 34 4.442 -0.693 -4.032 1.00 0.00 H new ATOM 0 HA ILE B 34 3.591 2.122 -3.702 1.00 0.00 H new ATOM 0 HB ILE B 34 2.498 -0.212 -2.773 1.00 0.00 H new ATOM 0 HG12 ILE B 34 1.445 1.990 -3.295 1.00 0.00 H new ATOM 0 HG13 ILE B 34 0.833 1.177 -1.868 1.00 0.00 H new ATOM 0 HG21 ILE B 34 2.458 -0.017 -0.376 1.00 0.00 H new ATOM 0 HG22 ILE B 34 3.994 -0.577 -1.079 1.00 0.00 H new ATOM 0 HG23 ILE B 34 3.845 1.093 -0.482 1.00 0.00 H new ATOM 0 HD11 ILE B 34 1.073 3.568 -1.479 1.00 0.00 H new ATOM 0 HD12 ILE B 34 2.183 2.651 -0.433 1.00 0.00 H new ATOM 0 HD13 ILE B 34 2.804 3.476 -1.882 1.00 0.00 H new ATOM 445 N ALA B 35 6.145 0.673 -2.276 1.00 0.00 N ATOM 446 CA ALA B 35 7.339 1.040 -1.552 1.00 0.00 C ATOM 447 C ALA B 35 8.378 1.682 -2.450 1.00 0.00 C ATOM 448 O ALA B 35 9.084 2.580 -2.032 1.00 0.00 O ATOM 449 CB ALA B 35 7.852 -0.190 -0.827 1.00 0.00 C ATOM 0 H ALA B 35 6.027 -0.333 -2.393 1.00 0.00 H new ATOM 0 HA ALA B 35 7.104 1.808 -0.815 1.00 0.00 H new ATOM 0 HB1 ALA B 35 8.755 0.065 -0.273 1.00 0.00 H new ATOM 0 HB2 ALA B 35 7.090 -0.548 -0.135 1.00 0.00 H new ATOM 0 HB3 ALA B 35 8.080 -0.971 -1.552 1.00 0.00 H new ATOM 455 N ALA B 36 8.399 1.272 -3.714 1.00 0.00 N ATOM 456 CA ALA B 36 9.285 1.852 -4.699 1.00 0.00 C ATOM 457 C ALA B 36 8.747 3.179 -5.198 1.00 0.00 C ATOM 458 O ALA B 36 9.503 4.070 -5.528 1.00 0.00 O ATOM 459 CB ALA B 36 9.451 0.867 -5.843 1.00 0.00 C ATOM 0 H ALA B 36 7.801 0.530 -4.077 1.00 0.00 H new ATOM 0 HA ALA B 36 10.256 2.049 -4.245 1.00 0.00 H new ATOM 0 HB1 ALA B 36 10.117 1.291 -6.594 1.00 0.00 H new ATOM 0 HB2 ALA B 36 9.876 -0.062 -5.464 1.00 0.00 H new ATOM 0 HB3 ALA B 36 8.479 0.665 -6.293 1.00 0.00 H new ATOM 465 N ILE B 37 7.430 3.333 -5.216 1.00 0.00 N ATOM 466 CA ILE B 37 6.764 4.568 -5.569 1.00 0.00 C ATOM 467 C ILE B 37 6.911 5.564 -4.434 1.00 0.00 C ATOM 468 O ILE B 37 7.094 6.743 -4.686 1.00 0.00 O ATOM 469 CB ILE B 37 5.340 4.236 -5.985 1.00 0.00 C ATOM 470 CG1 ILE B 37 5.269 3.787 -7.427 1.00 0.00 C ATOM 471 CG2 ILE B 37 4.362 5.376 -5.788 1.00 0.00 C ATOM 472 CD1 ILE B 37 5.995 2.521 -7.808 1.00 0.00 C ATOM 0 H ILE B 37 6.784 2.580 -4.979 1.00 0.00 H new ATOM 0 HA ILE B 37 7.217 5.064 -6.427 1.00 0.00 H new ATOM 0 HB ILE B 37 5.045 3.423 -5.321 1.00 0.00 H new ATOM 0 HG12 ILE B 37 4.218 3.661 -7.687 1.00 0.00 H new ATOM 0 HG13 ILE B 37 5.656 4.595 -8.048 1.00 0.00 H new ATOM 0 HG21 ILE B 37 3.368 5.062 -6.107 1.00 0.00 H new ATOM 0 HG22 ILE B 37 4.334 5.653 -4.734 1.00 0.00 H new ATOM 0 HG23 ILE B 37 4.679 6.234 -6.381 1.00 0.00 H new ATOM 0 HD11 ILE B 37 5.854 2.327 -8.871 1.00 0.00 H new ATOM 0 HD12 ILE B 37 7.059 2.634 -7.598 1.00 0.00 H new ATOM 0 HD13 ILE B 37 5.598 1.686 -7.231 1.00 0.00 H new ATOM 484 N ILE B 38 6.891 5.138 -3.173 1.00 0.00 N ATOM 485 CA ILE B 38 7.170 5.926 -1.998 1.00 0.00 C ATOM 486 C ILE B 38 8.581 6.479 -1.932 1.00 0.00 C ATOM 487 O ILE B 38 8.777 7.645 -1.633 1.00 0.00 O ATOM 488 CB ILE B 38 6.802 5.153 -0.739 1.00 0.00 C ATOM 489 CG1 ILE B 38 5.284 5.093 -0.675 1.00 0.00 C ATOM 490 CG2 ILE B 38 7.329 5.758 0.545 1.00 0.00 C ATOM 491 CD1 ILE B 38 4.692 4.286 0.465 1.00 0.00 C ATOM 0 H ILE B 38 6.664 4.171 -2.942 1.00 0.00 H new ATOM 0 HA ILE B 38 6.536 6.810 -2.069 1.00 0.00 H new ATOM 0 HB ILE B 38 7.265 4.169 -0.811 1.00 0.00 H new ATOM 0 HG12 ILE B 38 4.904 6.112 -0.607 1.00 0.00 H new ATOM 0 HG13 ILE B 38 4.918 4.678 -1.614 1.00 0.00 H new ATOM 0 HG21 ILE B 38 7.020 5.143 1.390 1.00 0.00 H new ATOM 0 HG22 ILE B 38 8.417 5.802 0.507 1.00 0.00 H new ATOM 0 HG23 ILE B 38 6.929 6.765 0.663 1.00 0.00 H new ATOM 0 HD11 ILE B 38 3.604 4.317 0.406 1.00 0.00 H new ATOM 0 HD12 ILE B 38 5.030 3.252 0.393 1.00 0.00 H new ATOM 0 HD13 ILE B 38 5.016 4.708 1.416 1.00 0.00 H new ATOM 503 N LYS B 39 9.551 5.651 -2.310 1.00 0.00 N ATOM 504 CA LYS B 39 10.938 6.023 -2.480 1.00 0.00 C ATOM 505 C LYS B 39 11.113 7.153 -3.477 1.00 0.00 C ATOM 506 O LYS B 39 11.969 7.995 -3.278 1.00 0.00 O ATOM 507 CB LYS B 39 11.655 4.732 -2.846 1.00 0.00 C ATOM 508 CG LYS B 39 13.073 4.887 -3.367 1.00 0.00 C ATOM 509 CD LYS B 39 14.034 5.322 -2.301 1.00 0.00 C ATOM 510 CE LYS B 39 14.688 4.297 -1.689 1.00 0.00 C ATOM 511 NZ LYS B 39 15.730 4.630 -0.794 1.00 0.00 N ATOM 0 H LYS B 39 9.378 4.666 -2.512 1.00 0.00 H new ATOM 0 HA LYS B 39 11.371 6.443 -1.572 1.00 0.00 H new ATOM 0 HB2 LYS B 39 11.680 4.090 -1.965 1.00 0.00 H new ATOM 0 HB3 LYS B 39 11.065 4.213 -3.602 1.00 0.00 H new ATOM 0 HG2 LYS B 39 13.407 3.939 -3.788 1.00 0.00 H new ATOM 0 HG3 LYS B 39 13.081 5.616 -4.178 1.00 0.00 H new ATOM 0 HD2 LYS B 39 14.769 5.995 -2.742 1.00 0.00 H new ATOM 0 HD3 LYS B 39 13.490 5.893 -1.548 1.00 0.00 H new ATOM 0 HE2 LYS B 39 13.952 3.706 -1.144 1.00 0.00 H new ATOM 0 HE3 LYS B 39 15.103 3.652 -2.464 1.00 0.00 H new ATOM 0 HZ1 LYS B 39 16.141 3.760 -0.400 1.00 0.00 H new ATOM 0 HZ2 LYS B 39 16.466 5.162 -1.301 1.00 0.00 H new ATOM 0 HZ3 LYS B 39 15.351 5.214 -0.021 1.00 0.00 H new ATOM 525 N ALA B 40 10.252 7.251 -4.482 1.00 0.00 N ATOM 526 CA ALA B 40 10.197 8.356 -5.404 1.00 0.00 C ATOM 527 C ALA B 40 9.358 9.513 -4.907 1.00 0.00 C ATOM 528 O ALA B 40 9.764 10.647 -5.053 1.00 0.00 O ATOM 529 CB ALA B 40 9.656 7.829 -6.721 1.00 0.00 C ATOM 0 H ALA B 40 9.553 6.534 -4.676 1.00 0.00 H new ATOM 0 HA ALA B 40 11.203 8.759 -5.521 1.00 0.00 H new ATOM 0 HB1 ALA B 40 9.601 8.643 -7.444 1.00 0.00 H new ATOM 0 HB2 ALA B 40 10.318 7.050 -7.101 1.00 0.00 H new ATOM 0 HB3 ALA B 40 8.660 7.415 -6.565 1.00 0.00 H new ATOM 535 N GLY B 41 8.179 9.262 -4.366 1.00 0.00 N ATOM 536 CA GLY B 41 7.229 10.275 -3.975 1.00 0.00 C ATOM 537 C GLY B 41 7.653 11.093 -2.773 1.00 0.00 C ATOM 538 O GLY B 41 7.483 12.289 -2.739 1.00 0.00 O ATOM 0 H GLY B 41 7.851 8.314 -4.183 1.00 0.00 H new ATOM 0 HA2 GLY B 41 7.064 10.947 -4.817 1.00 0.00 H new ATOM 0 HA3 GLY B 41 6.274 9.797 -3.756 1.00 0.00 H new ATOM 542 N GLY B 42 8.180 10.454 -1.759 1.00 0.00 N ATOM 543 CA GLY B 42 8.488 11.043 -0.480 1.00 0.00 C ATOM 544 C GLY B 42 7.295 11.341 0.399 1.00 0.00 C ATOM 545 O GLY B 42 7.216 12.375 0.994 1.00 0.00 O ATOM 0 H GLY B 42 8.417 9.463 -1.805 1.00 0.00 H new ATOM 0 HA2 GLY B 42 9.157 10.372 0.059 1.00 0.00 H new ATOM 0 HA3 GLY B 42 9.035 11.971 -0.648 1.00 0.00 H new ATOM 549 N PHE B 43 6.346 10.416 0.434 1.00 0.00 N ATOM 550 CA PHE B 43 5.022 10.562 0.974 1.00 0.00 C ATOM 551 C PHE B 43 4.930 11.026 2.407 1.00 0.00 C ATOM 552 O PHE B 43 4.234 11.968 2.727 1.00 0.00 O ATOM 553 CB PHE B 43 4.290 9.236 0.830 1.00 0.00 C ATOM 554 CG PHE B 43 3.785 8.856 -0.538 1.00 0.00 C ATOM 555 CD1 PHE B 43 4.655 8.437 -1.540 1.00 0.00 C ATOM 556 CD2 PHE B 43 2.416 8.841 -0.794 1.00 0.00 C ATOM 557 CE1 PHE B 43 4.178 7.828 -2.700 1.00 0.00 C ATOM 558 CE2 PHE B 43 1.936 8.264 -1.971 1.00 0.00 C ATOM 559 CZ PHE B 43 2.805 7.714 -2.903 1.00 0.00 C ATOM 0 H PHE B 43 6.503 9.482 0.056 1.00 0.00 H new ATOM 0 HA PHE B 43 4.565 11.365 0.396 1.00 0.00 H new ATOM 0 HB2 PHE B 43 4.959 8.446 1.171 1.00 0.00 H new ATOM 0 HB3 PHE B 43 3.438 9.248 1.510 1.00 0.00 H new ATOM 0 HD1 PHE B 43 5.718 8.586 -1.417 1.00 0.00 H new ATOM 0 HD2 PHE B 43 1.728 9.275 -0.084 1.00 0.00 H new ATOM 0 HE1 PHE B 43 4.869 7.447 -3.437 1.00 0.00 H new ATOM 0 HE2 PHE B 43 0.873 8.245 -2.159 1.00 0.00 H new ATOM 0 HZ PHE B 43 2.421 7.204 -3.774 1.00 0.00 H new HETATM 569 N NH2 B 44 5.604 10.345 3.312 1.00 0.00 N TER 572 NH2 B 44 HETATM 573 C ACE C 45 -7.810 10.509 -1.098 1.00 0.00 C HETATM 574 O ACE C 45 -7.758 10.118 0.042 1.00 0.00 O HETATM 575 CH3 ACE C 45 -9.129 10.737 -1.775 1.00 0.00 C HETATM 0 H1 ACE C 45 -9.207 11.781 -2.077 1.00 0.00 H new HETATM 0 H2 ACE C 45 -9.202 10.098 -2.655 1.00 0.00 H new HETATM 0 H3 ACE C 45 -9.938 10.498 -1.085 1.00 0.00 H new ATOM 579 N ALA C 46 -6.743 10.888 -1.788 1.00 0.00 N ATOM 580 CA ALA C 46 -5.418 11.060 -1.257 1.00 0.00 C ATOM 581 C ALA C 46 -5.295 12.125 -0.187 1.00 0.00 C ATOM 582 O ALA C 46 -4.243 12.292 0.406 1.00 0.00 O ATOM 583 CB ALA C 46 -4.449 11.348 -2.374 1.00 0.00 C ATOM 0 H ALA C 46 -6.792 11.092 -2.786 1.00 0.00 H new ATOM 0 HA ALA C 46 -5.178 10.117 -0.765 1.00 0.00 H new ATOM 0 HB1 ALA C 46 -3.448 11.477 -1.963 1.00 0.00 H new ATOM 0 HB2 ALA C 46 -4.448 10.516 -3.078 1.00 0.00 H new ATOM 0 HB3 ALA C 46 -4.749 12.260 -2.890 1.00 0.00 H new ATOM 589 N LYS C 47 -6.366 12.829 0.155 1.00 0.00 N ATOM 590 CA LYS C 47 -6.525 13.526 1.406 1.00 0.00 C ATOM 591 C LYS C 47 -6.180 12.670 2.602 1.00 0.00 C ATOM 592 O LYS C 47 -5.631 13.157 3.565 1.00 0.00 O ATOM 593 CB LYS C 47 -7.938 14.033 1.544 1.00 0.00 C ATOM 594 CG LYS C 47 -8.366 15.011 0.479 1.00 0.00 C ATOM 595 CD LYS C 47 -9.738 15.535 0.695 1.00 0.00 C ATOM 596 CE LYS C 47 -10.191 16.474 -0.376 1.00 0.00 C ATOM 597 NZ LYS C 47 -9.559 17.760 -0.391 1.00 0.00 N ATOM 0 H LYS C 47 -7.173 12.928 -0.461 1.00 0.00 H new ATOM 0 HA LYS C 47 -5.825 14.361 1.388 1.00 0.00 H new ATOM 0 HB2 LYS C 47 -8.618 13.181 1.529 1.00 0.00 H new ATOM 0 HB3 LYS C 47 -8.045 14.509 2.519 1.00 0.00 H new ATOM 0 HG2 LYS C 47 -7.664 15.844 0.454 1.00 0.00 H new ATOM 0 HG3 LYS C 47 -8.317 14.524 -0.495 1.00 0.00 H new ATOM 0 HD2 LYS C 47 -10.434 14.698 0.752 1.00 0.00 H new ATOM 0 HD3 LYS C 47 -9.776 16.047 1.657 1.00 0.00 H new ATOM 0 HE2 LYS C 47 -10.026 15.998 -1.343 1.00 0.00 H new ATOM 0 HE3 LYS C 47 -11.266 16.620 -0.273 1.00 0.00 H new ATOM 0 HZ1 LYS C 47 -9.947 18.328 -1.171 1.00 0.00 H new ATOM 0 HZ2 LYS C 47 -9.736 18.245 0.512 1.00 0.00 H new ATOM 0 HZ3 LYS C 47 -8.534 17.642 -0.525 1.00 0.00 H new ATOM 611 N ALA C 48 -6.526 11.396 2.550 1.00 0.00 N ATOM 612 CA ALA C 48 -6.295 10.368 3.527 1.00 0.00 C ATOM 613 C ALA C 48 -4.929 9.735 3.481 1.00 0.00 C ATOM 614 O ALA C 48 -4.714 8.744 4.157 1.00 0.00 O ATOM 615 CB ALA C 48 -7.370 9.309 3.340 1.00 0.00 C ATOM 0 H ALA C 48 -7.024 11.029 1.739 1.00 0.00 H new ATOM 0 HA ALA C 48 -6.341 10.840 4.508 1.00 0.00 H new ATOM 0 HB1 ALA C 48 -7.225 8.511 4.068 1.00 0.00 H new ATOM 0 HB2 ALA C 48 -8.352 9.758 3.485 1.00 0.00 H new ATOM 0 HB3 ALA C 48 -7.305 8.898 2.333 1.00 0.00 H new ATOM 621 N ALA C 49 -4.034 10.210 2.625 1.00 0.00 N ATOM 622 CA ALA C 49 -2.855 9.455 2.295 1.00 0.00 C ATOM 623 C ALA C 49 -1.908 9.244 3.457 1.00 0.00 C ATOM 624 O ALA C 49 -1.487 8.121 3.684 1.00 0.00 O ATOM 625 CB ALA C 49 -2.189 10.081 1.089 1.00 0.00 C ATOM 0 H ALA C 49 -4.110 11.111 2.154 1.00 0.00 H new ATOM 0 HA ALA C 49 -3.167 8.442 2.041 1.00 0.00 H new ATOM 0 HB1 ALA C 49 -1.294 9.514 0.832 1.00 0.00 H new ATOM 0 HB2 ALA C 49 -2.879 10.070 0.246 1.00 0.00 H new ATOM 0 HB3 ALA C 49 -1.913 11.110 1.319 1.00 0.00 H new ATOM 631 N ALA C 50 -1.592 10.274 4.234 1.00 0.00 N ATOM 632 CA ALA C 50 -0.693 10.163 5.354 1.00 0.00 C ATOM 633 C ALA C 50 -1.073 9.050 6.296 1.00 0.00 C ATOM 634 O ALA C 50 -0.243 8.324 6.708 1.00 0.00 O ATOM 635 CB ALA C 50 -0.590 11.505 6.045 1.00 0.00 C ATOM 0 H ALA C 50 -1.962 11.214 4.095 1.00 0.00 H new ATOM 0 HA ALA C 50 0.294 9.888 4.982 1.00 0.00 H new ATOM 0 HB1 ALA C 50 0.089 11.426 6.894 1.00 0.00 H new ATOM 0 HB2 ALA C 50 -0.210 12.247 5.343 1.00 0.00 H new ATOM 0 HB3 ALA C 50 -1.576 11.810 6.397 1.00 0.00 H new ATOM 641 N ALA C 51 -2.341 8.831 6.556 1.00 0.00 N ATOM 642 CA ALA C 51 -2.846 7.730 7.339 1.00 0.00 C ATOM 643 C ALA C 51 -2.606 6.376 6.712 1.00 0.00 C ATOM 644 O ALA C 51 -2.242 5.464 7.424 1.00 0.00 O ATOM 645 CB ALA C 51 -4.317 7.940 7.584 1.00 0.00 C ATOM 0 H ALA C 51 -3.080 9.443 6.212 1.00 0.00 H new ATOM 0 HA ALA C 51 -2.293 7.722 8.278 1.00 0.00 H new ATOM 0 HB1 ALA C 51 -4.709 7.113 8.176 1.00 0.00 H new ATOM 0 HB2 ALA C 51 -4.466 8.875 8.124 1.00 0.00 H new ATOM 0 HB3 ALA C 51 -4.842 7.985 6.630 1.00 0.00 H new ATOM 651 N ALA C 52 -2.724 6.226 5.403 1.00 0.00 N ATOM 652 CA ALA C 52 -2.475 4.984 4.715 1.00 0.00 C ATOM 653 C ALA C 52 -0.995 4.670 4.625 1.00 0.00 C ATOM 654 O ALA C 52 -0.582 3.578 4.981 1.00 0.00 O ATOM 655 CB ALA C 52 -3.108 5.043 3.338 1.00 0.00 C ATOM 0 H ALA C 52 -3.002 6.985 4.781 1.00 0.00 H new ATOM 0 HA ALA C 52 -2.927 4.174 5.288 1.00 0.00 H new ATOM 0 HB1 ALA C 52 -2.923 4.106 2.812 1.00 0.00 H new ATOM 0 HB2 ALA C 52 -4.182 5.197 3.438 1.00 0.00 H new ATOM 0 HB3 ALA C 52 -2.674 5.868 2.773 1.00 0.00 H new ATOM 661 N ILE C 53 -0.216 5.651 4.185 1.00 0.00 N ATOM 662 CA ILE C 53 1.196 5.487 3.964 1.00 0.00 C ATOM 663 C ILE C 53 1.916 5.172 5.263 1.00 0.00 C ATOM 664 O ILE C 53 2.755 4.286 5.300 1.00 0.00 O ATOM 665 CB ILE C 53 1.769 6.734 3.315 1.00 0.00 C ATOM 666 CG1 ILE C 53 1.040 7.234 2.091 1.00 0.00 C ATOM 667 CG2 ILE C 53 3.215 6.460 2.938 1.00 0.00 C ATOM 668 CD1 ILE C 53 0.891 6.311 0.910 1.00 0.00 C ATOM 0 H ILE C 53 -0.560 6.587 3.973 1.00 0.00 H new ATOM 0 HA ILE C 53 1.346 4.644 3.290 1.00 0.00 H new ATOM 0 HB ILE C 53 1.661 7.524 4.058 1.00 0.00 H new ATOM 0 HG12 ILE C 53 0.040 7.536 2.402 1.00 0.00 H new ATOM 0 HG13 ILE C 53 1.552 8.132 1.746 1.00 0.00 H new ATOM 0 HG21 ILE C 53 3.643 7.346 2.470 1.00 0.00 H new ATOM 0 HG22 ILE C 53 3.784 6.212 3.834 1.00 0.00 H new ATOM 0 HG23 ILE C 53 3.257 5.625 2.239 1.00 0.00 H new ATOM 0 HD11 ILE C 53 0.345 6.821 0.116 1.00 0.00 H new ATOM 0 HD12 ILE C 53 1.877 6.024 0.546 1.00 0.00 H new ATOM 0 HD13 ILE C 53 0.343 5.419 1.212 1.00 0.00 H new ATOM 680 N LYS C 54 1.603 5.879 6.342 1.00 0.00 N ATOM 681 CA LYS C 54 2.296 5.767 7.608 1.00 0.00 C ATOM 682 C LYS C 54 1.972 4.505 8.385 1.00 0.00 C ATOM 683 O LYS C 54 2.767 4.049 9.179 1.00 0.00 O ATOM 684 CB LYS C 54 1.985 7.019 8.412 1.00 0.00 C ATOM 685 CG LYS C 54 2.640 8.280 7.877 1.00 0.00 C ATOM 686 CD LYS C 54 4.100 8.330 8.005 1.00 0.00 C ATOM 687 CE LYS C 54 4.672 9.638 7.548 1.00 0.00 C ATOM 688 NZ LYS C 54 6.089 9.670 7.620 1.00 0.00 N ATOM 0 H LYS C 54 0.843 6.559 6.356 1.00 0.00 H new ATOM 0 HA LYS C 54 3.365 5.685 7.410 1.00 0.00 H new ATOM 0 HB2 LYS C 54 0.905 7.165 8.433 1.00 0.00 H new ATOM 0 HB3 LYS C 54 2.306 6.865 9.442 1.00 0.00 H new ATOM 0 HG2 LYS C 54 2.380 8.386 6.824 1.00 0.00 H new ATOM 0 HG3 LYS C 54 2.216 9.139 8.398 1.00 0.00 H new ATOM 0 HD2 LYS C 54 4.376 8.160 9.046 1.00 0.00 H new ATOM 0 HD3 LYS C 54 4.540 7.521 7.422 1.00 0.00 H new ATOM 0 HE2 LYS C 54 4.360 9.828 6.521 1.00 0.00 H new ATOM 0 HE3 LYS C 54 4.263 10.442 8.159 1.00 0.00 H new ATOM 0 HZ1 LYS C 54 6.432 10.596 7.293 1.00 0.00 H new ATOM 0 HZ2 LYS C 54 6.390 9.517 8.604 1.00 0.00 H new ATOM 0 HZ3 LYS C 54 6.484 8.921 7.016 1.00 0.00 H new ATOM 702 N ALA C 55 0.848 3.861 8.099 1.00 0.00 N ATOM 703 CA ALA C 55 0.677 2.448 8.354 1.00 0.00 C ATOM 704 C ALA C 55 1.582 1.624 7.457 1.00 0.00 C ATOM 705 O ALA C 55 2.513 0.989 7.934 1.00 0.00 O ATOM 706 CB ALA C 55 -0.794 2.085 8.222 1.00 0.00 C ATOM 0 H ALA C 55 0.032 4.310 7.683 1.00 0.00 H new ATOM 0 HA ALA C 55 0.979 2.214 9.375 1.00 0.00 H new ATOM 0 HB1 ALA C 55 -0.925 1.020 8.414 1.00 0.00 H new ATOM 0 HB2 ALA C 55 -1.376 2.658 8.944 1.00 0.00 H new ATOM 0 HB3 ALA C 55 -1.137 2.317 7.214 1.00 0.00 H new ATOM 712 N ILE C 56 1.343 1.624 6.147 1.00 0.00 N ATOM 713 CA ILE C 56 1.931 0.671 5.231 1.00 0.00 C ATOM 714 C ILE C 56 3.445 0.751 5.200 1.00 0.00 C ATOM 715 O ILE C 56 4.091 -0.251 5.482 1.00 0.00 O ATOM 716 CB ILE C 56 1.208 0.666 3.891 1.00 0.00 C ATOM 717 CG1 ILE C 56 0.974 -0.711 3.289 1.00 0.00 C ATOM 718 CG2 ILE C 56 1.784 1.643 2.873 1.00 0.00 C ATOM 719 CD1 ILE C 56 2.179 -1.492 2.824 1.00 0.00 C ATOM 0 H ILE C 56 0.726 2.298 5.694 1.00 0.00 H new ATOM 0 HA ILE C 56 1.764 -0.337 5.611 1.00 0.00 H new ATOM 0 HB ILE C 56 0.216 1.036 4.152 1.00 0.00 H new ATOM 0 HG12 ILE C 56 0.449 -1.315 4.029 1.00 0.00 H new ATOM 0 HG13 ILE C 56 0.302 -0.595 2.439 1.00 0.00 H new ATOM 0 HG21 ILE C 56 1.215 1.580 1.946 1.00 0.00 H new ATOM 0 HG22 ILE C 56 1.723 2.657 3.267 1.00 0.00 H new ATOM 0 HG23 ILE C 56 2.826 1.392 2.677 1.00 0.00 H new ATOM 0 HD11 ILE C 56 1.857 -2.451 2.419 1.00 0.00 H new ATOM 0 HD12 ILE C 56 2.701 -0.929 2.051 1.00 0.00 H new ATOM 0 HD13 ILE C 56 2.850 -1.661 3.666 1.00 0.00 H new ATOM 731 N ALA C 57 4.077 1.907 5.014 1.00 0.00 N ATOM 732 CA ALA C 57 5.506 2.078 4.965 1.00 0.00 C ATOM 733 C ALA C 57 6.165 2.124 6.319 1.00 0.00 C ATOM 734 O ALA C 57 7.290 2.574 6.430 1.00 0.00 O ATOM 735 CB ALA C 57 5.789 3.254 4.056 1.00 0.00 C ATOM 0 H ALA C 57 3.573 2.785 4.889 1.00 0.00 H new ATOM 0 HA ALA C 57 5.978 1.193 4.539 1.00 0.00 H new ATOM 0 HB1 ALA C 57 6.865 3.415 3.994 1.00 0.00 H new ATOM 0 HB2 ALA C 57 5.395 3.048 3.061 1.00 0.00 H new ATOM 0 HB3 ALA C 57 5.311 4.148 4.458 1.00 0.00 H new ATOM 741 N ALA C 58 5.497 1.593 7.333 1.00 0.00 N ATOM 742 CA ALA C 58 6.045 1.145 8.587 1.00 0.00 C ATOM 743 C ALA C 58 5.880 -0.352 8.736 1.00 0.00 C ATOM 744 O ALA C 58 6.822 -1.037 9.070 1.00 0.00 O ATOM 745 CB ALA C 58 5.450 1.929 9.731 1.00 0.00 C ATOM 0 H ALA C 58 4.487 1.458 7.289 1.00 0.00 H new ATOM 0 HA ALA C 58 7.118 1.337 8.604 1.00 0.00 H new ATOM 0 HB1 ALA C 58 5.874 1.579 10.672 1.00 0.00 H new ATOM 0 HB2 ALA C 58 5.676 2.988 9.603 1.00 0.00 H new ATOM 0 HB3 ALA C 58 4.369 1.788 9.746 1.00 0.00 H new ATOM 751 N ILE C 59 4.700 -0.866 8.413 1.00 0.00 N ATOM 752 CA ILE C 59 4.392 -2.274 8.334 1.00 0.00 C ATOM 753 C ILE C 59 5.306 -2.964 7.342 1.00 0.00 C ATOM 754 O ILE C 59 5.766 -4.048 7.652 1.00 0.00 O ATOM 755 CB ILE C 59 2.916 -2.471 8.040 1.00 0.00 C ATOM 756 CG1 ILE C 59 2.021 -1.913 9.131 1.00 0.00 C ATOM 757 CG2 ILE C 59 2.581 -3.939 7.852 1.00 0.00 C ATOM 758 CD1 ILE C 59 0.597 -1.613 8.701 1.00 0.00 C ATOM 0 H ILE C 59 3.898 -0.277 8.190 1.00 0.00 H new ATOM 0 HA ILE C 59 4.581 -2.748 9.297 1.00 0.00 H new ATOM 0 HB ILE C 59 2.727 -1.922 7.118 1.00 0.00 H new ATOM 0 HG12 ILE C 59 1.993 -2.624 9.956 1.00 0.00 H new ATOM 0 HG13 ILE C 59 2.469 -0.997 9.515 1.00 0.00 H new ATOM 0 HG21 ILE C 59 1.517 -4.045 7.643 1.00 0.00 H new ATOM 0 HG22 ILE C 59 3.156 -4.340 7.017 1.00 0.00 H new ATOM 0 HG23 ILE C 59 2.829 -4.488 8.760 1.00 0.00 H new ATOM 0 HD11 ILE C 59 0.036 -1.219 9.549 1.00 0.00 H new ATOM 0 HD12 ILE C 59 0.607 -0.876 7.898 1.00 0.00 H new ATOM 0 HD13 ILE C 59 0.123 -2.529 8.347 1.00 0.00 H new ATOM 770 N ILE C 60 5.675 -2.347 6.227 1.00 0.00 N ATOM 771 CA ILE C 60 6.701 -2.783 5.307 1.00 0.00 C ATOM 772 C ILE C 60 7.971 -3.194 6.021 1.00 0.00 C ATOM 773 O ILE C 60 8.441 -4.317 5.961 1.00 0.00 O ATOM 774 CB ILE C 60 7.025 -1.699 4.287 1.00 0.00 C ATOM 775 CG1 ILE C 60 5.831 -1.504 3.364 1.00 0.00 C ATOM 776 CG2 ILE C 60 8.234 -2.023 3.419 1.00 0.00 C ATOM 777 CD1 ILE C 60 5.680 -2.296 2.085 1.00 0.00 C ATOM 0 H ILE C 60 5.235 -1.476 5.929 1.00 0.00 H new ATOM 0 HA ILE C 60 6.299 -3.655 4.791 1.00 0.00 H new ATOM 0 HB ILE C 60 7.255 -0.800 4.859 1.00 0.00 H new ATOM 0 HG12 ILE C 60 4.937 -1.691 3.959 1.00 0.00 H new ATOM 0 HG13 ILE C 60 5.814 -0.450 3.087 1.00 0.00 H new ATOM 0 HG21 ILE C 60 8.406 -1.208 2.716 1.00 0.00 H new ATOM 0 HG22 ILE C 60 9.113 -2.149 4.051 1.00 0.00 H new ATOM 0 HG23 ILE C 60 8.049 -2.945 2.867 1.00 0.00 H new ATOM 0 HD11 ILE C 60 4.760 -2.001 1.581 1.00 0.00 H new ATOM 0 HD12 ILE C 60 6.531 -2.099 1.433 1.00 0.00 H new ATOM 0 HD13 ILE C 60 5.640 -3.360 2.318 1.00 0.00 H new ATOM 789 N LYS C 61 8.535 -2.222 6.713 1.00 0.00 N ATOM 790 CA LYS C 61 9.841 -2.198 7.328 1.00 0.00 C ATOM 791 C LYS C 61 9.973 -3.184 8.468 1.00 0.00 C ATOM 792 O LYS C 61 10.979 -3.825 8.647 1.00 0.00 O ATOM 793 CB LYS C 61 9.961 -0.767 7.818 1.00 0.00 C ATOM 794 CG LYS C 61 10.018 0.272 6.726 1.00 0.00 C ATOM 795 CD LYS C 61 10.699 1.563 7.130 1.00 0.00 C ATOM 796 CE LYS C 61 10.008 2.268 8.232 1.00 0.00 C ATOM 797 NZ LYS C 61 10.662 3.463 8.651 1.00 0.00 N ATOM 0 H LYS C 61 8.038 -1.346 6.872 1.00 0.00 H new ATOM 0 HA LYS C 61 10.629 -2.491 6.634 1.00 0.00 H new ATOM 0 HB2 LYS C 61 9.112 -0.547 8.466 1.00 0.00 H new ATOM 0 HB3 LYS C 61 10.859 -0.681 8.429 1.00 0.00 H new ATOM 0 HG2 LYS C 61 10.542 -0.148 5.867 1.00 0.00 H new ATOM 0 HG3 LYS C 61 9.002 0.497 6.401 1.00 0.00 H new ATOM 0 HD2 LYS C 61 11.724 1.346 7.432 1.00 0.00 H new ATOM 0 HD3 LYS C 61 10.755 2.223 6.264 1.00 0.00 H new ATOM 0 HE2 LYS C 61 8.994 2.512 7.915 1.00 0.00 H new ATOM 0 HE3 LYS C 61 9.922 1.594 9.084 1.00 0.00 H new ATOM 0 HZ1 LYS C 61 10.122 3.902 9.424 1.00 0.00 H new ATOM 0 HZ2 LYS C 61 11.621 3.236 8.984 1.00 0.00 H new ATOM 0 HZ3 LYS C 61 10.721 4.125 7.851 1.00 0.00 H new ATOM 811 N ALA C 62 8.881 -3.314 9.207 1.00 0.00 N ATOM 812 CA ALA C 62 8.648 -4.320 10.214 1.00 0.00 C ATOM 813 C ALA C 62 8.512 -5.688 9.591 1.00 0.00 C ATOM 814 O ALA C 62 9.149 -6.616 10.041 1.00 0.00 O ATOM 815 CB ALA C 62 7.429 -3.938 11.013 1.00 0.00 C ATOM 0 H ALA C 62 8.090 -2.677 9.108 1.00 0.00 H new ATOM 0 HA ALA C 62 9.503 -4.372 10.887 1.00 0.00 H new ATOM 0 HB1 ALA C 62 7.244 -4.693 11.778 1.00 0.00 H new ATOM 0 HB2 ALA C 62 7.594 -2.972 11.489 1.00 0.00 H new ATOM 0 HB3 ALA C 62 6.566 -3.873 10.351 1.00 0.00 H new ATOM 821 N GLY C 63 7.738 -5.817 8.524 1.00 0.00 N ATOM 822 CA GLY C 63 7.434 -7.054 7.862 1.00 0.00 C ATOM 823 C GLY C 63 8.599 -7.730 7.181 1.00 0.00 C ATOM 824 O GLY C 63 8.741 -8.927 7.251 1.00 0.00 O ATOM 0 H GLY C 63 7.288 -5.015 8.083 1.00 0.00 H new ATOM 0 HA2 GLY C 63 7.013 -7.744 8.594 1.00 0.00 H new ATOM 0 HA3 GLY C 63 6.659 -6.867 7.118 1.00 0.00 H new ATOM 828 N GLY C 64 9.406 -6.985 6.445 1.00 0.00 N ATOM 829 CA GLY C 64 10.579 -7.440 5.742 1.00 0.00 C ATOM 830 C GLY C 64 10.457 -7.500 4.236 1.00 0.00 C ATOM 831 O GLY C 64 11.292 -8.078 3.593 1.00 0.00 O ATOM 0 H GLY C 64 9.244 -5.986 6.319 1.00 0.00 H new ATOM 0 HA2 GLY C 64 11.410 -6.782 5.995 1.00 0.00 H new ATOM 0 HA3 GLY C 64 10.837 -8.434 6.107 1.00 0.00 H new ATOM 835 N PHE C 65 9.390 -7.004 3.654 1.00 0.00 N ATOM 836 CA PHE C 65 9.099 -7.120 2.246 1.00 0.00 C ATOM 837 C PHE C 65 10.103 -6.440 1.363 1.00 0.00 C ATOM 838 O PHE C 65 10.595 -6.978 0.419 1.00 0.00 O ATOM 839 CB PHE C 65 7.730 -6.564 1.894 1.00 0.00 C ATOM 840 CG PHE C 65 6.553 -6.794 2.802 1.00 0.00 C ATOM 841 CD1 PHE C 65 6.423 -5.970 3.920 1.00 0.00 C ATOM 842 CD2 PHE C 65 5.504 -7.638 2.447 1.00 0.00 C ATOM 843 CE1 PHE C 65 5.212 -5.820 4.595 1.00 0.00 C ATOM 844 CE2 PHE C 65 4.300 -7.552 3.148 1.00 0.00 C ATOM 845 CZ PHE C 65 4.152 -6.623 4.180 1.00 0.00 C ATOM 0 H PHE C 65 8.675 -6.490 4.168 1.00 0.00 H new ATOM 0 HA PHE C 65 9.135 -8.193 2.060 1.00 0.00 H new ATOM 0 HB2 PHE C 65 7.841 -5.486 1.779 1.00 0.00 H new ATOM 0 HB3 PHE C 65 7.463 -6.963 0.915 1.00 0.00 H new ATOM 0 HD1 PHE C 65 7.289 -5.430 4.275 1.00 0.00 H new ATOM 0 HD2 PHE C 65 5.620 -8.348 1.642 1.00 0.00 H new ATOM 0 HE1 PHE C 65 5.101 -5.113 5.404 1.00 0.00 H new ATOM 0 HE2 PHE C 65 3.480 -8.206 2.891 1.00 0.00 H new ATOM 0 HZ PHE C 65 3.193 -6.525 4.668 1.00 0.00 H new HETATM 855 N NH2 C 66 10.405 -5.189 1.604 1.00 0.00 N TER 858 NH2 C 66 HETATM 859 C ACE D 67 5.663 -11.075 4.503 1.00 0.00 C HETATM 860 O ACE D 67 4.582 -10.609 4.212 1.00 0.00 O HETATM 861 CH3 ACE D 67 6.710 -10.173 5.091 1.00 0.00 C HETATM 0 H1 ACE D 67 6.989 -10.536 6.080 1.00 0.00 H new HETATM 0 H2 ACE D 67 7.588 -10.166 4.446 1.00 0.00 H new HETATM 0 H3 ACE D 67 6.313 -9.161 5.174 1.00 0.00 H new ATOM 865 N ALA D 68 5.970 -12.357 4.430 1.00 0.00 N ATOM 866 CA ALA D 68 5.080 -13.433 4.127 1.00 0.00 C ATOM 867 C ALA D 68 3.798 -13.342 4.902 1.00 0.00 C ATOM 868 O ALA D 68 2.740 -13.537 4.396 1.00 0.00 O ATOM 869 CB ALA D 68 5.837 -14.704 4.411 1.00 0.00 C ATOM 0 H ALA D 68 6.922 -12.684 4.595 1.00 0.00 H new ATOM 0 HA ALA D 68 4.771 -13.399 3.082 1.00 0.00 H new ATOM 0 HB1 ALA D 68 5.201 -15.562 4.195 1.00 0.00 H new ATOM 0 HB2 ALA D 68 6.727 -14.745 3.783 1.00 0.00 H new ATOM 0 HB3 ALA D 68 6.132 -14.725 5.460 1.00 0.00 H new ATOM 875 N LYS D 69 3.902 -13.040 6.162 1.00 0.00 N ATOM 876 CA LYS D 69 2.831 -12.906 7.098 1.00 0.00 C ATOM 877 C LYS D 69 2.305 -11.497 7.226 1.00 0.00 C ATOM 878 O LYS D 69 1.111 -11.297 7.356 1.00 0.00 O ATOM 879 CB LYS D 69 3.210 -13.474 8.429 1.00 0.00 C ATOM 880 CG LYS D 69 3.762 -14.871 8.406 1.00 0.00 C ATOM 881 CD LYS D 69 4.041 -15.367 9.748 1.00 0.00 C ATOM 882 CE LYS D 69 4.633 -16.730 9.775 1.00 0.00 C ATOM 883 NZ LYS D 69 5.228 -17.124 10.973 1.00 0.00 N ATOM 0 H LYS D 69 4.810 -12.868 6.593 1.00 0.00 H new ATOM 0 HA LYS D 69 2.003 -13.488 6.694 1.00 0.00 H new ATOM 0 HB2 LYS D 69 3.950 -12.818 8.886 1.00 0.00 H new ATOM 0 HB3 LYS D 69 2.331 -13.461 9.073 1.00 0.00 H new ATOM 0 HG2 LYS D 69 3.051 -15.534 7.914 1.00 0.00 H new ATOM 0 HG3 LYS D 69 4.677 -14.890 7.814 1.00 0.00 H new ATOM 0 HD2 LYS D 69 4.721 -14.676 10.246 1.00 0.00 H new ATOM 0 HD3 LYS D 69 3.115 -15.372 10.323 1.00 0.00 H new ATOM 0 HE2 LYS D 69 3.850 -17.448 9.530 1.00 0.00 H new ATOM 0 HE3 LYS D 69 5.381 -16.793 8.985 1.00 0.00 H new ATOM 0 HZ1 LYS D 69 5.604 -18.088 10.873 1.00 0.00 H new ATOM 0 HZ2 LYS D 69 6.004 -16.472 11.206 1.00 0.00 H new ATOM 0 HZ3 LYS D 69 4.520 -17.106 11.735 1.00 0.00 H new ATOM 897 N ALA D 70 3.179 -10.515 7.073 1.00 0.00 N ATOM 898 CA ALA D 70 2.876 -9.105 7.064 1.00 0.00 C ATOM 899 C ALA D 70 1.978 -8.720 5.912 1.00 0.00 C ATOM 900 O ALA D 70 1.281 -7.717 5.938 1.00 0.00 O ATOM 901 CB ALA D 70 4.200 -8.374 7.028 1.00 0.00 C ATOM 0 H ALA D 70 4.174 -10.698 6.945 1.00 0.00 H new ATOM 0 HA ALA D 70 2.314 -8.831 7.957 1.00 0.00 H new ATOM 0 HB1 ALA D 70 4.022 -7.299 7.020 1.00 0.00 H new ATOM 0 HB2 ALA D 70 4.786 -8.638 7.909 1.00 0.00 H new ATOM 0 HB3 ALA D 70 4.748 -8.658 6.129 1.00 0.00 H new ATOM 907 N ALA D 71 1.913 -9.558 4.883 1.00 0.00 N ATOM 908 CA ALA D 71 1.030 -9.438 3.748 1.00 0.00 C ATOM 909 C ALA D 71 -0.426 -9.754 4.039 1.00 0.00 C ATOM 910 O ALA D 71 -1.256 -9.763 3.151 1.00 0.00 O ATOM 911 CB ALA D 71 1.622 -10.290 2.642 1.00 0.00 C ATOM 0 H ALA D 71 2.512 -10.382 4.824 1.00 0.00 H new ATOM 0 HA ALA D 71 0.977 -8.393 3.443 1.00 0.00 H new ATOM 0 HB1 ALA D 71 0.987 -10.232 1.758 1.00 0.00 H new ATOM 0 HB2 ALA D 71 2.620 -9.926 2.397 1.00 0.00 H new ATOM 0 HB3 ALA D 71 1.686 -11.326 2.975 1.00 0.00 H new ATOM 917 N ALA D 72 -0.796 -9.925 5.302 1.00 0.00 N ATOM 918 CA ALA D 72 -2.118 -9.608 5.789 1.00 0.00 C ATOM 919 C ALA D 72 -2.143 -8.227 6.402 1.00 0.00 C ATOM 920 O ALA D 72 -2.868 -7.365 5.938 1.00 0.00 O ATOM 921 CB ALA D 72 -2.587 -10.679 6.743 1.00 0.00 C ATOM 0 H ALA D 72 -0.173 -10.293 6.021 1.00 0.00 H new ATOM 0 HA ALA D 72 -2.819 -9.590 4.954 1.00 0.00 H new ATOM 0 HB1 ALA D 72 -3.585 -10.432 7.105 1.00 0.00 H new ATOM 0 HB2 ALA D 72 -2.616 -11.639 6.227 1.00 0.00 H new ATOM 0 HB3 ALA D 72 -1.900 -10.741 7.587 1.00 0.00 H new ATOM 927 N ALA D 73 -1.287 -7.977 7.388 1.00 0.00 N ATOM 928 CA ALA D 73 -1.246 -6.777 8.186 1.00 0.00 C ATOM 929 C ALA D 73 -1.107 -5.472 7.430 1.00 0.00 C ATOM 930 O ALA D 73 -1.736 -4.502 7.781 1.00 0.00 O ATOM 931 CB ALA D 73 -0.150 -6.945 9.215 1.00 0.00 C ATOM 0 H ALA D 73 -0.569 -8.649 7.659 1.00 0.00 H new ATOM 0 HA ALA D 73 -2.227 -6.675 8.650 1.00 0.00 H new ATOM 0 HB1 ALA D 73 -0.094 -6.051 9.836 1.00 0.00 H new ATOM 0 HB2 ALA D 73 -0.369 -7.809 9.842 1.00 0.00 H new ATOM 0 HB3 ALA D 73 0.804 -7.096 8.709 1.00 0.00 H new ATOM 937 N ALA D 74 -0.320 -5.425 6.361 1.00 0.00 N ATOM 938 CA ALA D 74 -0.143 -4.252 5.540 1.00 0.00 C ATOM 939 C ALA D 74 -1.406 -3.940 4.757 1.00 0.00 C ATOM 940 O ALA D 74 -1.848 -2.808 4.639 1.00 0.00 O ATOM 941 CB ALA D 74 1.026 -4.527 4.609 1.00 0.00 C ATOM 0 H ALA D 74 0.223 -6.227 6.040 1.00 0.00 H new ATOM 0 HA ALA D 74 0.062 -3.379 6.159 1.00 0.00 H new ATOM 0 HB1 ALA D 74 1.193 -3.661 3.969 1.00 0.00 H new ATOM 0 HB2 ALA D 74 1.922 -4.721 5.198 1.00 0.00 H new ATOM 0 HB3 ALA D 74 0.802 -5.397 3.991 1.00 0.00 H new ATOM 947 N ILE D 75 -2.017 -5.002 4.243 1.00 0.00 N ATOM 948 CA ILE D 75 -3.176 -4.947 3.383 1.00 0.00 C ATOM 949 C ILE D 75 -4.407 -4.541 4.174 1.00 0.00 C ATOM 950 O ILE D 75 -5.194 -3.711 3.750 1.00 0.00 O ATOM 951 CB ILE D 75 -3.428 -6.290 2.718 1.00 0.00 C ATOM 952 CG1 ILE D 75 -2.198 -7.026 2.217 1.00 0.00 C ATOM 953 CG2 ILE D 75 -4.417 -6.039 1.592 1.00 0.00 C ATOM 954 CD1 ILE D 75 -1.429 -6.330 1.111 1.00 0.00 C ATOM 0 H ILE D 75 -1.702 -5.955 4.425 1.00 0.00 H new ATOM 0 HA ILE D 75 -2.978 -4.203 2.611 1.00 0.00 H new ATOM 0 HB ILE D 75 -3.818 -6.967 3.478 1.00 0.00 H new ATOM 0 HG12 ILE D 75 -1.524 -7.188 3.059 1.00 0.00 H new ATOM 0 HG13 ILE D 75 -2.504 -8.009 1.860 1.00 0.00 H new ATOM 0 HG21 ILE D 75 -4.632 -6.977 1.081 1.00 0.00 H new ATOM 0 HG22 ILE D 75 -5.340 -5.630 2.003 1.00 0.00 H new ATOM 0 HG23 ILE D 75 -3.989 -5.329 0.884 1.00 0.00 H new ATOM 0 HD11 ILE D 75 -0.571 -6.938 0.826 1.00 0.00 H new ATOM 0 HD12 ILE D 75 -2.079 -6.192 0.247 1.00 0.00 H new ATOM 0 HD13 ILE D 75 -1.084 -5.358 1.464 1.00 0.00 H new ATOM 966 N LYS D 76 -4.566 -5.121 5.360 1.00 0.00 N ATOM 967 CA LYS D 76 -5.777 -4.993 6.140 1.00 0.00 C ATOM 968 C LYS D 76 -5.828 -3.686 6.916 1.00 0.00 C ATOM 969 O LYS D 76 -6.908 -3.232 7.263 1.00 0.00 O ATOM 970 CB LYS D 76 -5.914 -6.225 7.021 1.00 0.00 C ATOM 971 CG LYS D 76 -6.179 -7.537 6.301 1.00 0.00 C ATOM 972 CD LYS D 76 -7.501 -7.603 5.580 1.00 0.00 C ATOM 973 CE LYS D 76 -7.654 -8.920 4.923 1.00 0.00 C ATOM 974 NZ LYS D 76 -8.910 -9.047 4.205 1.00 0.00 N ATOM 0 H LYS D 76 -3.849 -5.695 5.803 1.00 0.00 H new ATOM 0 HA LYS D 76 -6.639 -4.946 5.475 1.00 0.00 H new ATOM 0 HB2 LYS D 76 -5.000 -6.333 7.604 1.00 0.00 H new ATOM 0 HB3 LYS D 76 -6.725 -6.052 7.728 1.00 0.00 H new ATOM 0 HG2 LYS D 76 -5.379 -7.709 5.581 1.00 0.00 H new ATOM 0 HG3 LYS D 76 -6.135 -8.349 7.026 1.00 0.00 H new ATOM 0 HD2 LYS D 76 -8.317 -7.442 6.284 1.00 0.00 H new ATOM 0 HD3 LYS D 76 -7.559 -6.808 4.837 1.00 0.00 H new ATOM 0 HE2 LYS D 76 -6.827 -9.074 4.230 1.00 0.00 H new ATOM 0 HE3 LYS D 76 -7.589 -9.706 5.675 1.00 0.00 H new ATOM 0 HZ1 LYS D 76 -8.965 -9.988 3.765 1.00 0.00 H new ATOM 0 HZ2 LYS D 76 -9.702 -8.929 4.868 1.00 0.00 H new ATOM 0 HZ3 LYS D 76 -8.964 -8.316 3.467 1.00 0.00 H new ATOM 988 N ALA D 77 -4.698 -3.007 7.073 1.00 0.00 N ATOM 989 CA ALA D 77 -4.639 -1.567 7.174 1.00 0.00 C ATOM 990 C ALA D 77 -5.076 -0.906 5.882 1.00 0.00 C ATOM 991 O ALA D 77 -6.137 -0.303 5.787 1.00 0.00 O ATOM 992 CB ALA D 77 -3.262 -1.137 7.633 1.00 0.00 C ATOM 0 H ALA D 77 -3.784 -3.457 7.134 1.00 0.00 H new ATOM 0 HA ALA D 77 -5.348 -1.229 7.930 1.00 0.00 H new ATOM 0 HB1 ALA D 77 -3.226 -0.050 7.707 1.00 0.00 H new ATOM 0 HB2 ALA D 77 -3.051 -1.574 8.609 1.00 0.00 H new ATOM 0 HB3 ALA D 77 -2.516 -1.477 6.914 1.00 0.00 H new ATOM 998 N ILE D 78 -4.255 -0.971 4.839 1.00 0.00 N ATOM 999 CA ILE D 78 -4.245 -0.028 3.743 1.00 0.00 C ATOM 1000 C ILE D 78 -5.483 -0.134 2.869 1.00 0.00 C ATOM 1001 O ILE D 78 -6.037 0.895 2.520 1.00 0.00 O ATOM 1002 CB ILE D 78 -2.929 -0.119 2.983 1.00 0.00 C ATOM 1003 CG1 ILE D 78 -2.371 1.197 2.473 1.00 0.00 C ATOM 1004 CG2 ILE D 78 -2.898 -1.216 1.929 1.00 0.00 C ATOM 1005 CD1 ILE D 78 -3.063 1.888 1.331 1.00 0.00 C ATOM 0 H ILE D 78 -3.558 -1.709 4.737 1.00 0.00 H new ATOM 0 HA ILE D 78 -4.300 0.981 4.152 1.00 0.00 H new ATOM 0 HB ILE D 78 -2.229 -0.422 3.761 1.00 0.00 H new ATOM 0 HG12 ILE D 78 -2.347 1.892 3.312 1.00 0.00 H new ATOM 0 HG13 ILE D 78 -1.337 1.023 2.174 1.00 0.00 H new ATOM 0 HG21 ILE D 78 -1.928 -1.216 1.432 1.00 0.00 H new ATOM 0 HG22 ILE D 78 -3.062 -2.183 2.405 1.00 0.00 H new ATOM 0 HG23 ILE D 78 -3.682 -1.036 1.194 1.00 0.00 H new ATOM 0 HD11 ILE D 78 -2.537 2.812 1.092 1.00 0.00 H new ATOM 0 HD12 ILE D 78 -3.065 1.235 0.458 1.00 0.00 H new ATOM 0 HD13 ILE D 78 -4.090 2.118 1.614 1.00 0.00 H new ATOM 1017 N ALA D 79 -6.032 -1.315 2.597 1.00 0.00 N ATOM 1018 CA ALA D 79 -7.255 -1.435 1.835 1.00 0.00 C ATOM 1019 C ALA D 79 -8.489 -0.945 2.571 1.00 0.00 C ATOM 1020 O ALA D 79 -9.421 -0.447 1.962 1.00 0.00 O ATOM 1021 CB ALA D 79 -7.454 -2.888 1.453 1.00 0.00 C ATOM 0 H ALA D 79 -5.639 -2.206 2.900 1.00 0.00 H new ATOM 0 HA ALA D 79 -7.142 -0.797 0.959 1.00 0.00 H new ATOM 0 HB1 ALA D 79 -8.374 -2.990 0.878 1.00 0.00 H new ATOM 0 HB2 ALA D 79 -6.610 -3.225 0.851 1.00 0.00 H new ATOM 0 HB3 ALA D 79 -7.521 -3.496 2.355 1.00 0.00 H new ATOM 1027 N ALA D 80 -8.491 -0.998 3.899 1.00 0.00 N ATOM 1028 CA ALA D 80 -9.550 -0.500 4.744 1.00 0.00 C ATOM 1029 C ALA D 80 -9.468 1.005 4.904 1.00 0.00 C ATOM 1030 O ALA D 80 -10.487 1.680 4.889 1.00 0.00 O ATOM 1031 CB ALA D 80 -9.477 -1.230 6.071 1.00 0.00 C ATOM 0 H ALA D 80 -7.721 -1.407 4.429 1.00 0.00 H new ATOM 0 HA ALA D 80 -10.520 -0.693 4.285 1.00 0.00 H new ATOM 0 HB1 ALA D 80 -10.269 -0.870 6.728 1.00 0.00 H new ATOM 0 HB2 ALA D 80 -9.601 -2.300 5.905 1.00 0.00 H new ATOM 0 HB3 ALA D 80 -8.508 -1.045 6.535 1.00 0.00 H new ATOM 1037 N ILE D 81 -8.248 1.533 4.962 1.00 0.00 N ATOM 1038 CA ILE D 81 -7.907 2.939 4.995 1.00 0.00 C ATOM 1039 C ILE D 81 -8.254 3.571 3.659 1.00 0.00 C ATOM 1040 O ILE D 81 -8.869 4.622 3.610 1.00 0.00 O ATOM 1041 CB ILE D 81 -6.460 3.158 5.413 1.00 0.00 C ATOM 1042 CG1 ILE D 81 -6.218 2.683 6.835 1.00 0.00 C ATOM 1043 CG2 ILE D 81 -6.065 4.618 5.295 1.00 0.00 C ATOM 1044 CD1 ILE D 81 -4.758 2.416 7.160 1.00 0.00 C ATOM 0 H ILE D 81 -7.418 0.941 4.989 1.00 0.00 H new ATOM 0 HA ILE D 81 -8.500 3.440 5.760 1.00 0.00 H new ATOM 0 HB ILE D 81 -5.843 2.570 4.734 1.00 0.00 H new ATOM 0 HG12 ILE D 81 -6.602 3.432 7.527 1.00 0.00 H new ATOM 0 HG13 ILE D 81 -6.789 1.770 7.004 1.00 0.00 H new ATOM 0 HG21 ILE D 81 -5.026 4.740 5.601 1.00 0.00 H new ATOM 0 HG22 ILE D 81 -6.179 4.943 4.261 1.00 0.00 H new ATOM 0 HG23 ILE D 81 -6.706 5.221 5.938 1.00 0.00 H new ATOM 0 HD11 ILE D 81 -4.671 2.081 8.193 1.00 0.00 H new ATOM 0 HD12 ILE D 81 -4.372 1.644 6.494 1.00 0.00 H new ATOM 0 HD13 ILE D 81 -4.182 3.332 7.026 1.00 0.00 H new ATOM 1056 N ILE D 82 -7.993 2.917 2.539 1.00 0.00 N ATOM 1057 CA ILE D 82 -8.487 3.223 1.217 1.00 0.00 C ATOM 1058 C ILE D 82 -9.995 3.360 1.133 1.00 0.00 C ATOM 1059 O ILE D 82 -10.484 4.386 0.692 1.00 0.00 O ATOM 1060 CB ILE D 82 -7.921 2.306 0.144 1.00 0.00 C ATOM 1061 CG1 ILE D 82 -6.488 2.730 -0.126 1.00 0.00 C ATOM 1062 CG2 ILE D 82 -8.695 2.344 -1.166 1.00 0.00 C ATOM 1063 CD1 ILE D 82 -5.709 1.869 -1.105 1.00 0.00 C ATOM 0 H ILE D 82 -7.385 2.098 2.536 1.00 0.00 H new ATOM 0 HA ILE D 82 -8.102 4.220 1.004 1.00 0.00 H new ATOM 0 HB ILE D 82 -7.992 1.285 0.519 1.00 0.00 H new ATOM 0 HG12 ILE D 82 -6.498 3.753 -0.502 1.00 0.00 H new ATOM 0 HG13 ILE D 82 -5.950 2.744 0.822 1.00 0.00 H new ATOM 0 HG21 ILE D 82 -8.232 1.665 -1.882 1.00 0.00 H new ATOM 0 HG22 ILE D 82 -9.726 2.037 -0.989 1.00 0.00 H new ATOM 0 HG23 ILE D 82 -8.682 3.358 -1.567 1.00 0.00 H new ATOM 0 HD11 ILE D 82 -4.701 2.268 -1.218 1.00 0.00 H new ATOM 0 HD12 ILE D 82 -5.655 0.848 -0.728 1.00 0.00 H new ATOM 0 HD13 ILE D 82 -6.211 1.873 -2.072 1.00 0.00 H new ATOM 1075 N LYS D 83 -10.724 2.367 1.627 1.00 0.00 N ATOM 1076 CA LYS D 83 -12.162 2.356 1.722 1.00 0.00 C ATOM 1077 C LYS D 83 -12.719 3.484 2.555 1.00 0.00 C ATOM 1078 O LYS D 83 -13.797 3.956 2.280 1.00 0.00 O ATOM 1079 CB LYS D 83 -12.549 0.982 2.227 1.00 0.00 C ATOM 1080 CG LYS D 83 -13.976 0.796 2.677 1.00 0.00 C ATOM 1081 CD LYS D 83 -14.991 0.892 1.563 1.00 0.00 C ATOM 1082 CE LYS D 83 -15.178 -0.343 0.870 1.00 0.00 C ATOM 1083 NZ LYS D 83 -16.186 -0.343 -0.151 1.00 0.00 N ATOM 0 H LYS D 83 -10.300 1.512 1.987 1.00 0.00 H new ATOM 0 HA LYS D 83 -12.607 2.538 0.744 1.00 0.00 H new ATOM 0 HB2 LYS D 83 -12.346 0.261 1.435 1.00 0.00 H new ATOM 0 HB3 LYS D 83 -11.895 0.731 3.062 1.00 0.00 H new ATOM 0 HG2 LYS D 83 -14.070 -0.178 3.157 1.00 0.00 H new ATOM 0 HG3 LYS D 83 -14.209 1.547 3.432 1.00 0.00 H new ATOM 0 HD2 LYS D 83 -15.945 1.219 1.976 1.00 0.00 H new ATOM 0 HD3 LYS D 83 -14.672 1.656 0.854 1.00 0.00 H new ATOM 0 HE2 LYS D 83 -14.229 -0.630 0.417 1.00 0.00 H new ATOM 0 HE3 LYS D 83 -15.428 -1.113 1.600 1.00 0.00 H new ATOM 0 HZ1 LYS D 83 -16.238 -1.285 -0.588 1.00 0.00 H new ATOM 0 HZ2 LYS D 83 -17.107 -0.106 0.270 1.00 0.00 H new ATOM 0 HZ3 LYS D 83 -15.945 0.362 -0.877 1.00 0.00 H new ATOM 1097 N ALA D 84 -11.960 4.016 3.505 1.00 0.00 N ATOM 1098 CA ALA D 84 -12.301 5.191 4.260 1.00 0.00 C ATOM 1099 C ALA D 84 -11.937 6.472 3.552 1.00 0.00 C ATOM 1100 O ALA D 84 -12.723 7.401 3.536 1.00 0.00 O ATOM 1101 CB ALA D 84 -11.700 5.118 5.624 1.00 0.00 C ATOM 0 H ALA D 84 -11.060 3.618 3.772 1.00 0.00 H new ATOM 0 HA ALA D 84 -13.386 5.212 4.359 1.00 0.00 H new ATOM 0 HB1 ALA D 84 -11.965 6.013 6.187 1.00 0.00 H new ATOM 0 HB2 ALA D 84 -12.080 4.238 6.142 1.00 0.00 H new ATOM 0 HB3 ALA D 84 -10.615 5.050 5.541 1.00 0.00 H new ATOM 1107 N GLY D 85 -10.777 6.527 2.927 1.00 0.00 N ATOM 1108 CA GLY D 85 -10.250 7.701 2.282 1.00 0.00 C ATOM 1109 C GLY D 85 -10.922 8.044 0.984 1.00 0.00 C ATOM 1110 O GLY D 85 -11.208 9.180 0.743 1.00 0.00 O ATOM 0 H GLY D 85 -10.156 5.721 2.855 1.00 0.00 H new ATOM 0 HA2 GLY D 85 -10.343 8.548 2.962 1.00 0.00 H new ATOM 0 HA3 GLY D 85 -9.185 7.555 2.100 1.00 0.00 H new ATOM 1114 N GLY D 86 -11.168 7.073 0.132 1.00 0.00 N ATOM 1115 CA GLY D 86 -11.744 7.247 -1.174 1.00 0.00 C ATOM 1116 C GLY D 86 -10.730 7.363 -2.293 1.00 0.00 C ATOM 1117 O GLY D 86 -11.041 7.929 -3.315 1.00 0.00 O ATOM 0 H GLY D 86 -10.961 6.097 0.345 1.00 0.00 H new ATOM 0 HA2 GLY D 86 -12.403 6.404 -1.383 1.00 0.00 H new ATOM 0 HA3 GLY D 86 -12.365 8.143 -1.168 1.00 0.00 H new ATOM 1121 N PHE D 87 -9.534 6.830 -2.140 1.00 0.00 N ATOM 1122 CA PHE D 87 -8.522 6.772 -3.155 1.00 0.00 C ATOM 1123 C PHE D 87 -8.925 5.936 -4.347 1.00 0.00 C ATOM 1124 O PHE D 87 -9.846 5.149 -4.332 1.00 0.00 O ATOM 1125 CB PHE D 87 -7.256 6.195 -2.554 1.00 0.00 C ATOM 1126 CG PHE D 87 -6.775 6.740 -1.237 1.00 0.00 C ATOM 1127 CD1 PHE D 87 -7.362 6.273 -0.069 1.00 0.00 C ATOM 1128 CD2 PHE D 87 -5.538 7.377 -1.167 1.00 0.00 C ATOM 1129 CE1 PHE D 87 -6.657 6.256 1.133 1.00 0.00 C ATOM 1130 CE2 PHE D 87 -4.852 7.442 0.043 1.00 0.00 C ATOM 1131 CZ PHE D 87 -5.406 6.857 1.177 1.00 0.00 C ATOM 0 H PHE D 87 -9.236 6.408 -1.260 1.00 0.00 H new ATOM 0 HA PHE D 87 -8.366 7.789 -3.514 1.00 0.00 H new ATOM 0 HB2 PHE D 87 -7.405 5.122 -2.434 1.00 0.00 H new ATOM 0 HB3 PHE D 87 -6.454 6.327 -3.280 1.00 0.00 H new ATOM 0 HD1 PHE D 87 -8.381 5.917 -0.092 1.00 0.00 H new ATOM 0 HD2 PHE D 87 -5.110 7.821 -2.053 1.00 0.00 H new ATOM 0 HE1 PHE D 87 -7.074 5.786 2.011 1.00 0.00 H new ATOM 0 HE2 PHE D 87 -3.897 7.943 0.101 1.00 0.00 H new ATOM 0 HZ PHE D 87 -4.855 6.870 2.106 1.00 0.00 H new HETATM 1141 N NH2 D 88 -8.199 6.034 -5.441 1.00 0.00 N TER 1144 NH2 D 88