USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=1 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+ 161:sc= 0 (180deg=-0.15) 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 0.622 11.306 -0.288 1.00 0.00 C HETATM 2 O ACE A 1 0.606 10.486 0.610 1.00 0.00 O HETATM 3 CH3 ACE A 1 1.749 11.260 -1.279 1.00 0.00 C HETATM 0 H1 ACE A 1 1.347 11.099 -2.279 1.00 0.00 H new HETATM 0 H2 ACE A 1 2.294 12.204 -1.254 1.00 0.00 H new HETATM 0 H3 ACE A 1 2.425 10.444 -1.024 1.00 0.00 H new ATOM 7 N ALA A 2 -0.324 12.217 -0.393 1.00 0.00 N ATOM 8 CA ALA A 2 -0.490 13.336 -1.279 1.00 0.00 C ATOM 9 C ALA A 2 -0.361 13.023 -2.751 1.00 0.00 C ATOM 10 O ALA A 2 -1.035 12.143 -3.239 1.00 0.00 O ATOM 11 CB ALA A 2 0.348 14.487 -0.761 1.00 0.00 C ATOM 0 H ALA A 2 -1.116 12.173 0.249 1.00 0.00 H new ATOM 0 HA ALA A 2 -1.534 13.649 -1.257 1.00 0.00 H new ATOM 0 HB1 ALA A 2 0.234 15.346 -1.422 1.00 0.00 H new ATOM 0 HB2 ALA A 2 0.018 14.755 0.243 1.00 0.00 H new ATOM 0 HB3 ALA A 2 1.396 14.189 -0.730 1.00 0.00 H new ATOM 17 N LYS A 3 0.458 13.763 -3.485 1.00 0.00 N ATOM 18 CA LYS A 3 0.428 13.863 -4.923 1.00 0.00 C ATOM 19 C LYS A 3 0.706 12.575 -5.666 1.00 0.00 C ATOM 20 O LYS A 3 0.111 12.329 -6.691 1.00 0.00 O ATOM 21 CB LYS A 3 1.394 14.919 -5.399 1.00 0.00 C ATOM 22 CG LYS A 3 0.997 16.317 -5.015 1.00 0.00 C ATOM 23 CD LYS A 3 1.952 17.359 -5.423 1.00 0.00 C ATOM 24 CE LYS A 3 1.449 18.728 -5.127 1.00 0.00 C ATOM 25 NZ LYS A 3 2.283 19.741 -5.531 1.00 0.00 N ATOM 0 H LYS A 3 1.193 14.334 -3.067 1.00 0.00 H new ATOM 0 HA LYS A 3 -0.602 14.132 -5.155 1.00 0.00 H new ATOM 0 HB2 LYS A 3 2.382 14.706 -4.991 1.00 0.00 H new ATOM 0 HB3 LYS A 3 1.478 14.860 -6.484 1.00 0.00 H new ATOM 0 HG2 LYS A 3 0.026 16.539 -5.457 1.00 0.00 H new ATOM 0 HG3 LYS A 3 0.872 16.361 -3.933 1.00 0.00 H new ATOM 0 HD2 LYS A 3 2.900 17.203 -4.908 1.00 0.00 H new ATOM 0 HD3 LYS A 3 2.151 17.270 -6.491 1.00 0.00 H new ATOM 0 HE2 LYS A 3 0.480 18.858 -5.610 1.00 0.00 H new ATOM 0 HE3 LYS A 3 1.284 18.817 -4.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 1.858 20.658 -5.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 3.201 19.647 -5.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 2.422 19.686 -6.560 1.00 0.00 H new ATOM 39 N ALA A 4 1.610 11.750 -5.148 1.00 0.00 N ATOM 40 CA ALA A 4 1.980 10.458 -5.668 1.00 0.00 C ATOM 41 C ALA A 4 0.990 9.342 -5.400 1.00 0.00 C ATOM 42 O ALA A 4 1.200 8.239 -5.888 1.00 0.00 O ATOM 43 CB ALA A 4 3.362 10.126 -5.136 1.00 0.00 C ATOM 0 H ALA A 4 2.129 11.989 -4.303 1.00 0.00 H new ATOM 0 HA ALA A 4 1.979 10.530 -6.756 1.00 0.00 H new ATOM 0 HB1 ALA A 4 3.672 9.151 -5.512 1.00 0.00 H new ATOM 0 HB2 ALA A 4 4.071 10.885 -5.467 1.00 0.00 H new ATOM 0 HB3 ALA A 4 3.337 10.103 -4.047 1.00 0.00 H new ATOM 49 N ALA A 5 -0.090 9.597 -4.662 1.00 0.00 N ATOM 50 CA ALA A 5 -0.964 8.563 -4.154 1.00 0.00 C ATOM 51 C ALA A 5 -1.662 7.771 -5.242 1.00 0.00 C ATOM 52 O ALA A 5 -1.517 6.554 -5.260 1.00 0.00 O ATOM 53 CB ALA A 5 -1.930 9.106 -3.116 1.00 0.00 C ATOM 0 H ALA A 5 -0.378 10.540 -4.402 1.00 0.00 H new ATOM 0 HA ALA A 5 -0.320 7.843 -3.650 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -2.570 8.300 -2.758 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -1.369 9.523 -2.280 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -2.545 9.886 -3.564 1.00 0.00 H new ATOM 59 N ALA A 6 -2.368 8.365 -6.194 1.00 0.00 N ATOM 60 CA ALA A 6 -3.037 7.621 -7.234 1.00 0.00 C ATOM 61 C ALA A 6 -2.092 6.720 -8.005 1.00 0.00 C ATOM 62 O ALA A 6 -2.362 5.535 -8.124 1.00 0.00 O ATOM 63 CB ALA A 6 -3.809 8.573 -8.122 1.00 0.00 C ATOM 0 H ALA A 6 -2.489 9.376 -6.261 1.00 0.00 H new ATOM 0 HA ALA A 6 -3.751 6.940 -6.771 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -4.314 8.010 -8.907 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -4.549 9.108 -7.526 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -3.121 9.288 -8.573 1.00 0.00 H new ATOM 69 N ALA A 7 -0.948 7.234 -8.443 1.00 0.00 N ATOM 70 CA ALA A 7 0.102 6.517 -9.130 1.00 0.00 C ATOM 71 C ALA A 7 0.593 5.302 -8.370 1.00 0.00 C ATOM 72 O ALA A 7 0.853 4.287 -8.974 1.00 0.00 O ATOM 73 CB ALA A 7 1.244 7.439 -9.480 1.00 0.00 C ATOM 0 H ALA A 7 -0.723 8.221 -8.317 1.00 0.00 H new ATOM 0 HA ALA A 7 -0.337 6.139 -10.053 1.00 0.00 H new ATOM 0 HB1 ALA A 7 2.021 6.876 -9.996 1.00 0.00 H new ATOM 0 HB2 ALA A 7 0.882 8.236 -10.129 1.00 0.00 H new ATOM 0 HB3 ALA A 7 1.655 7.872 -8.568 1.00 0.00 H new ATOM 79 N ALA A 8 0.734 5.374 -7.057 1.00 0.00 N ATOM 80 CA ALA A 8 1.212 4.268 -6.257 1.00 0.00 C ATOM 81 C ALA A 8 0.115 3.255 -5.982 1.00 0.00 C ATOM 82 O ALA A 8 0.228 2.057 -6.198 1.00 0.00 O ATOM 83 CB ALA A 8 1.762 4.876 -4.978 1.00 0.00 C ATOM 0 H ALA A 8 0.517 6.211 -6.515 1.00 0.00 H new ATOM 0 HA ALA A 8 1.986 3.710 -6.784 1.00 0.00 H new ATOM 0 HB1 ALA A 8 2.139 4.084 -4.331 1.00 0.00 H new ATOM 0 HB2 ALA A 8 2.573 5.563 -5.221 1.00 0.00 H new ATOM 0 HB3 ALA A 8 0.969 5.418 -4.463 1.00 0.00 H new ATOM 89 N ILE A 9 -1.016 3.783 -5.525 1.00 0.00 N ATOM 90 CA ILE A 9 -2.091 3.036 -4.915 1.00 0.00 C ATOM 91 C ILE A 9 -2.897 2.286 -5.959 1.00 0.00 C ATOM 92 O ILE A 9 -3.333 1.182 -5.659 1.00 0.00 O ATOM 93 CB ILE A 9 -2.954 3.967 -4.079 1.00 0.00 C ATOM 94 CG1 ILE A 9 -2.162 4.736 -3.035 1.00 0.00 C ATOM 95 CG2 ILE A 9 -4.136 3.227 -3.494 1.00 0.00 C ATOM 96 CD1 ILE A 9 -1.962 3.994 -1.724 1.00 0.00 C ATOM 0 H ILE A 9 -1.208 4.783 -5.575 1.00 0.00 H new ATOM 0 HA ILE A 9 -1.670 2.282 -4.250 1.00 0.00 H new ATOM 0 HB ILE A 9 -3.348 4.730 -4.750 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -1.185 4.986 -3.449 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -2.672 5.678 -2.831 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -4.738 3.915 -2.900 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -4.744 2.816 -4.300 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -3.779 2.416 -2.859 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -1.387 4.616 -1.038 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -2.932 3.768 -1.282 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -1.423 3.065 -1.910 1.00 0.00 H new ATOM 108 N LYS A 10 -3.031 2.823 -7.171 1.00 0.00 N ATOM 109 CA LYS A 10 -3.674 2.139 -8.271 1.00 0.00 C ATOM 110 C LYS A 10 -2.935 0.858 -8.616 1.00 0.00 C ATOM 111 O LYS A 10 -3.562 -0.152 -8.789 1.00 0.00 O ATOM 112 CB LYS A 10 -3.766 3.112 -9.435 1.00 0.00 C ATOM 113 CG LYS A 10 -4.890 4.114 -9.260 1.00 0.00 C ATOM 114 CD LYS A 10 -4.910 5.140 -10.381 1.00 0.00 C ATOM 115 CE LYS A 10 -5.373 4.723 -11.634 1.00 0.00 C ATOM 116 NZ LYS A 10 -5.863 5.517 -12.500 1.00 0.00 N ATOM 0 H LYS A 10 -2.690 3.754 -7.410 1.00 0.00 H new ATOM 0 HA LYS A 10 -4.683 1.827 -8.002 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -2.820 3.644 -9.536 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -3.919 2.555 -10.360 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -5.844 3.588 -9.231 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -4.777 4.623 -8.303 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -5.526 5.979 -10.057 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -3.896 5.519 -10.507 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -4.537 4.218 -12.118 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -6.135 3.967 -11.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -6.136 4.980 -13.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -6.701 5.989 -12.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -5.153 6.232 -12.757 1.00 0.00 H new ATOM 130 N ALA A 11 -1.612 0.874 -8.617 1.00 0.00 N ATOM 131 CA ALA A 11 -0.731 -0.256 -8.801 1.00 0.00 C ATOM 132 C ALA A 11 -0.785 -1.277 -7.686 1.00 0.00 C ATOM 133 O ALA A 11 -0.227 -2.346 -7.847 1.00 0.00 O ATOM 134 CB ALA A 11 0.685 0.229 -9.045 1.00 0.00 C ATOM 0 H ALA A 11 -1.094 1.742 -8.479 1.00 0.00 H new ATOM 0 HA ALA A 11 -1.091 -0.790 -9.680 1.00 0.00 H new ATOM 0 HB1 ALA A 11 1.344 -0.628 -9.183 1.00 0.00 H new ATOM 0 HB2 ALA A 11 0.707 0.852 -9.939 1.00 0.00 H new ATOM 0 HB3 ALA A 11 1.023 0.812 -8.188 1.00 0.00 H new ATOM 140 N ILE A 12 -1.508 -1.026 -6.602 1.00 0.00 N ATOM 141 CA ILE A 12 -1.741 -1.935 -5.503 1.00 0.00 C ATOM 142 C ILE A 12 -3.205 -2.300 -5.365 1.00 0.00 C ATOM 143 O ILE A 12 -3.491 -3.486 -5.333 1.00 0.00 O ATOM 144 CB ILE A 12 -1.045 -1.422 -4.252 1.00 0.00 C ATOM 145 CG1 ILE A 12 -0.047 -2.422 -3.706 1.00 0.00 C ATOM 146 CG2 ILE A 12 -1.935 -0.839 -3.171 1.00 0.00 C ATOM 147 CD1 ILE A 12 -0.615 -3.617 -2.983 1.00 0.00 C ATOM 0 H ILE A 12 -1.972 -0.128 -6.465 1.00 0.00 H new ATOM 0 HA ILE A 12 -1.279 -2.901 -5.707 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.497 -0.550 -4.608 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.562 -2.783 -4.535 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.622 -1.898 -3.024 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -1.321 -0.509 -2.333 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -2.487 0.011 -3.573 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -2.638 -1.599 -2.829 1.00 0.00 H new ATOM 0 HD11 ILE A 12 0.199 -4.256 -2.641 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.197 -3.280 -2.125 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.258 -4.180 -3.660 1.00 0.00 H new ATOM 159 N ALA A 13 -4.152 -1.367 -5.340 1.00 0.00 N ATOM 160 CA ALA A 13 -5.540 -1.630 -5.076 1.00 0.00 C ATOM 161 C ALA A 13 -6.217 -2.439 -6.161 1.00 0.00 C ATOM 162 O ALA A 13 -6.937 -3.386 -5.888 1.00 0.00 O ATOM 163 CB ALA A 13 -6.279 -0.330 -4.827 1.00 0.00 C ATOM 0 H ALA A 13 -3.956 -0.381 -5.510 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.578 -2.247 -4.178 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -7.330 -0.541 -4.628 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -5.842 0.178 -3.967 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -6.197 0.309 -5.706 1.00 0.00 H new ATOM 169 N ALA A 14 -5.878 -2.179 -7.419 1.00 0.00 N ATOM 170 CA ALA A 14 -6.338 -2.930 -8.565 1.00 0.00 C ATOM 171 C ALA A 14 -5.705 -4.301 -8.652 1.00 0.00 C ATOM 172 O ALA A 14 -6.233 -5.180 -9.294 1.00 0.00 O ATOM 173 CB ALA A 14 -6.069 -2.117 -9.809 1.00 0.00 C ATOM 0 H ALA A 14 -5.254 -1.412 -7.670 1.00 0.00 H new ATOM 0 HA ALA A 14 -7.409 -3.107 -8.462 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -6.410 -2.669 -10.685 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -6.603 -1.169 -9.747 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -4.999 -1.926 -9.894 1.00 0.00 H new ATOM 179 N ILE A 15 -4.551 -4.496 -8.047 1.00 0.00 N ATOM 180 CA ILE A 15 -3.851 -5.756 -7.959 1.00 0.00 C ATOM 181 C ILE A 15 -4.357 -6.578 -6.787 1.00 0.00 C ATOM 182 O ILE A 15 -4.573 -7.769 -6.929 1.00 0.00 O ATOM 183 CB ILE A 15 -2.366 -5.435 -7.930 1.00 0.00 C ATOM 184 CG1 ILE A 15 -1.783 -5.110 -9.294 1.00 0.00 C ATOM 185 CG2 ILE A 15 -1.559 -6.548 -7.287 1.00 0.00 C ATOM 186 CD1 ILE A 15 -2.270 -3.885 -10.017 1.00 0.00 C ATOM 0 H ILE A 15 -4.052 -3.739 -7.580 1.00 0.00 H new ATOM 0 HA ILE A 15 -4.039 -6.396 -8.821 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.290 -4.534 -7.321 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.703 -5.017 -9.178 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -1.961 -5.968 -9.942 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -0.503 -6.278 -7.287 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -1.896 -6.696 -6.261 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.698 -7.470 -7.851 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.755 -3.798 -10.973 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -3.343 -3.967 -10.189 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -2.066 -3.001 -9.413 1.00 0.00 H new ATOM 198 N ILE A 16 -4.662 -5.969 -5.644 1.00 0.00 N ATOM 199 CA ILE A 16 -5.412 -6.522 -4.539 1.00 0.00 C ATOM 200 C ILE A 16 -6.742 -7.107 -4.971 1.00 0.00 C ATOM 201 O ILE A 16 -7.036 -8.231 -4.606 1.00 0.00 O ATOM 202 CB ILE A 16 -5.584 -5.491 -3.431 1.00 0.00 C ATOM 203 CG1 ILE A 16 -4.248 -5.250 -2.749 1.00 0.00 C ATOM 204 CG2 ILE A 16 -6.570 -5.974 -2.383 1.00 0.00 C ATOM 205 CD1 ILE A 16 -4.187 -4.124 -1.733 1.00 0.00 C ATOM 0 H ILE A 16 -4.367 -5.010 -5.461 1.00 0.00 H new ATOM 0 HA ILE A 16 -4.830 -7.353 -4.141 1.00 0.00 H new ATOM 0 HB ILE A 16 -5.960 -4.573 -3.883 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -3.951 -6.173 -2.251 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -3.505 -5.051 -3.521 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -6.673 -5.218 -1.605 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -7.540 -6.149 -2.849 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -6.206 -6.902 -1.942 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -3.180 -4.059 -1.322 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -4.442 -3.182 -2.218 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -4.895 -4.321 -0.928 1.00 0.00 H new ATOM 217 N LYS A 17 -7.520 -6.408 -5.788 1.00 0.00 N ATOM 218 CA LYS A 17 -8.753 -6.829 -6.400 1.00 0.00 C ATOM 219 C LYS A 17 -8.588 -8.138 -7.149 1.00 0.00 C ATOM 220 O LYS A 17 -9.547 -8.887 -7.243 1.00 0.00 O ATOM 221 CB LYS A 17 -9.213 -5.686 -7.283 1.00 0.00 C ATOM 222 CG LYS A 17 -10.406 -5.925 -8.162 1.00 0.00 C ATOM 223 CD LYS A 17 -11.680 -6.275 -7.434 1.00 0.00 C ATOM 224 CE LYS A 17 -12.214 -5.077 -6.713 1.00 0.00 C ATOM 225 NZ LYS A 17 -13.267 -5.395 -5.819 1.00 0.00 N ATOM 0 H LYS A 17 -7.275 -5.454 -6.055 1.00 0.00 H new ATOM 0 HA LYS A 17 -9.515 -7.041 -5.650 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -9.434 -4.833 -6.641 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -8.378 -5.397 -7.921 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -10.582 -5.031 -8.760 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -10.170 -6.731 -8.857 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -12.422 -6.642 -8.143 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -11.491 -7.081 -6.724 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -11.404 -4.602 -6.159 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -12.571 -4.349 -7.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -13.597 -4.528 -5.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -14.054 -5.823 -6.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -12.924 -6.068 -5.104 1.00 0.00 H new ATOM 239 N ALA A 18 -7.424 -8.472 -7.691 1.00 0.00 N ATOM 240 CA ALA A 18 -7.110 -9.777 -8.220 1.00 0.00 C ATOM 241 C ALA A 18 -6.548 -10.712 -7.174 1.00 0.00 C ATOM 242 O ALA A 18 -7.017 -11.827 -7.072 1.00 0.00 O ATOM 243 CB ALA A 18 -6.156 -9.623 -9.386 1.00 0.00 C ATOM 0 H ALA A 18 -6.650 -7.812 -7.773 1.00 0.00 H new ATOM 0 HA ALA A 18 -8.038 -10.236 -8.562 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -5.914 -10.606 -9.791 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -6.624 -9.016 -10.161 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -5.242 -9.136 -9.046 1.00 0.00 H new ATOM 249 N GLY A 19 -5.526 -10.327 -6.428 1.00 0.00 N ATOM 250 CA GLY A 19 -4.796 -11.168 -5.524 1.00 0.00 C ATOM 251 C GLY A 19 -5.567 -11.666 -4.324 1.00 0.00 C ATOM 252 O GLY A 19 -5.544 -12.830 -4.038 1.00 0.00 O ATOM 0 H GLY A 19 -5.174 -9.370 -6.445 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -4.426 -12.030 -6.078 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -3.924 -10.618 -5.170 1.00 0.00 H new ATOM 256 N GLY A 20 -6.235 -10.781 -3.618 1.00 0.00 N ATOM 257 CA GLY A 20 -6.972 -11.044 -2.411 1.00 0.00 C ATOM 258 C GLY A 20 -6.090 -11.150 -1.183 1.00 0.00 C ATOM 259 O GLY A 20 -6.032 -12.184 -0.538 1.00 0.00 O ATOM 0 H GLY A 20 -6.278 -9.799 -3.892 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -7.702 -10.249 -2.258 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -7.531 -11.972 -2.530 1.00 0.00 H new ATOM 263 N PHE A 21 -5.348 -10.101 -0.853 1.00 0.00 N ATOM 264 CA PHE A 21 -4.220 -10.055 0.042 1.00 0.00 C ATOM 265 C PHE A 21 -4.543 -10.357 1.481 1.00 0.00 C ATOM 266 O PHE A 21 -3.888 -11.149 2.110 1.00 0.00 O ATOM 267 CB PHE A 21 -3.588 -8.688 -0.117 1.00 0.00 C ATOM 268 CG PHE A 21 -2.703 -8.489 -1.315 1.00 0.00 C ATOM 269 CD1 PHE A 21 -3.198 -8.609 -2.609 1.00 0.00 C ATOM 270 CD2 PHE A 21 -1.394 -8.050 -1.155 1.00 0.00 C ATOM 271 CE1 PHE A 21 -2.456 -8.235 -3.729 1.00 0.00 C ATOM 272 CE2 PHE A 21 -0.619 -7.675 -2.253 1.00 0.00 C ATOM 273 CZ PHE A 21 -1.146 -7.798 -3.540 1.00 0.00 C ATOM 0 H PHE A 21 -5.546 -9.181 -1.246 1.00 0.00 H new ATOM 0 HA PHE A 21 -3.529 -10.853 -0.231 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -4.386 -7.947 -0.157 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -3.002 -8.478 0.778 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -4.192 -9.006 -2.752 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -0.969 -7.998 -0.163 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -2.886 -8.283 -4.719 1.00 0.00 H new ATOM 0 HE2 PHE A 21 0.381 -7.293 -2.108 1.00 0.00 H new ATOM 0 HZ PHE A 21 -0.534 -7.553 -4.395 1.00 0.00 H new HETATM 283 N NH2 A 22 -5.560 -9.746 2.041 1.00 0.00 N TER 286 NH2 A 22 HETATM 287 C ACE B 23 -2.426 -13.085 -1.618 1.00 0.00 C HETATM 288 O ACE B 23 -2.205 -12.465 -2.640 1.00 0.00 O HETATM 289 CH3 ACE B 23 -3.459 -14.177 -1.560 1.00 0.00 C HETATM 0 H1 ACE B 23 -2.981 -15.115 -1.278 1.00 0.00 H new HETATM 0 H2 ACE B 23 -4.218 -13.921 -0.821 1.00 0.00 H new HETATM 0 H3 ACE B 23 -3.927 -14.287 -2.538 1.00 0.00 H new ATOM 293 N ALA B 24 -1.645 -12.963 -0.567 1.00 0.00 N ATOM 294 CA ALA B 24 -0.406 -12.226 -0.598 1.00 0.00 C ATOM 295 C ALA B 24 0.685 -12.820 -1.463 1.00 0.00 C ATOM 296 O ALA B 24 1.780 -12.295 -1.492 1.00 0.00 O ATOM 297 CB ALA B 24 0.078 -12.044 0.818 1.00 0.00 C ATOM 0 H ALA B 24 -1.857 -13.378 0.341 1.00 0.00 H new ATOM 0 HA ALA B 24 -0.629 -11.271 -1.073 1.00 0.00 H new ATOM 0 HB1 ALA B 24 1.015 -11.488 0.813 1.00 0.00 H new ATOM 0 HB2 ALA B 24 -0.668 -11.492 1.390 1.00 0.00 H new ATOM 0 HB3 ALA B 24 0.237 -13.020 1.276 1.00 0.00 H new ATOM 303 N LYS B 25 0.396 -13.894 -2.190 1.00 0.00 N ATOM 304 CA LYS B 25 1.200 -14.380 -3.280 1.00 0.00 C ATOM 305 C LYS B 25 1.449 -13.366 -4.372 1.00 0.00 C ATOM 306 O LYS B 25 2.488 -13.400 -4.985 1.00 0.00 O ATOM 307 CB LYS B 25 0.571 -15.619 -3.862 1.00 0.00 C ATOM 308 CG LYS B 25 0.345 -16.728 -2.871 1.00 0.00 C ATOM 309 CD LYS B 25 -0.057 -18.003 -3.479 1.00 0.00 C ATOM 310 CE LYS B 25 -0.168 -19.105 -2.500 1.00 0.00 C ATOM 311 NZ LYS B 25 -0.495 -20.374 -3.066 1.00 0.00 N ATOM 0 H LYS B 25 -0.435 -14.462 -2.022 1.00 0.00 H new ATOM 0 HA LYS B 25 2.179 -14.605 -2.856 1.00 0.00 H new ATOM 0 HB2 LYS B 25 -0.385 -15.349 -4.311 1.00 0.00 H new ATOM 0 HB3 LYS B 25 1.207 -15.991 -4.666 1.00 0.00 H new ATOM 0 HG2 LYS B 25 1.261 -16.883 -2.300 1.00 0.00 H new ATOM 0 HG3 LYS B 25 -0.423 -16.417 -2.163 1.00 0.00 H new ATOM 0 HD2 LYS B 25 -1.016 -17.873 -3.980 1.00 0.00 H new ATOM 0 HD3 LYS B 25 0.668 -18.278 -4.245 1.00 0.00 H new ATOM 0 HE2 LYS B 25 0.777 -19.194 -1.964 1.00 0.00 H new ATOM 0 HE3 LYS B 25 -0.928 -18.844 -1.764 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 -0.552 -21.087 -2.311 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 -1.412 -20.311 -3.553 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 0.241 -20.650 -3.747 1.00 0.00 H new ATOM 325 N ALA B 26 0.549 -12.415 -4.578 1.00 0.00 N ATOM 326 CA ALA B 26 0.638 -11.285 -5.464 1.00 0.00 C ATOM 327 C ALA B 26 1.497 -10.147 -4.951 1.00 0.00 C ATOM 328 O ALA B 26 1.693 -9.203 -5.685 1.00 0.00 O ATOM 329 CB ALA B 26 -0.770 -10.774 -5.691 1.00 0.00 C ATOM 0 H ALA B 26 -0.340 -12.425 -4.078 1.00 0.00 H new ATOM 0 HA ALA B 26 1.120 -11.629 -6.379 1.00 0.00 H new ATOM 0 HB1 ALA B 26 -0.742 -9.914 -6.360 1.00 0.00 H new ATOM 0 HB2 ALA B 26 -1.375 -11.562 -6.138 1.00 0.00 H new ATOM 0 HB3 ALA B 26 -1.207 -10.477 -4.738 1.00 0.00 H new ATOM 335 N ALA B 27 1.957 -10.173 -3.716 1.00 0.00 N ATOM 336 CA ALA B 27 2.436 -9.018 -3.001 1.00 0.00 C ATOM 337 C ALA B 27 3.788 -8.486 -3.425 1.00 0.00 C ATOM 338 O ALA B 27 3.933 -7.284 -3.587 1.00 0.00 O ATOM 339 CB ALA B 27 2.313 -9.267 -1.512 1.00 0.00 C ATOM 0 H ALA B 27 2.007 -11.032 -3.168 1.00 0.00 H new ATOM 0 HA ALA B 27 1.788 -8.187 -3.280 1.00 0.00 H new ATOM 0 HB1 ALA B 27 2.674 -8.395 -0.966 1.00 0.00 H new ATOM 0 HB2 ALA B 27 1.268 -9.447 -1.258 1.00 0.00 H new ATOM 0 HB3 ALA B 27 2.908 -10.139 -1.239 1.00 0.00 H new ATOM 345 N ALA B 28 4.778 -9.339 -3.657 1.00 0.00 N ATOM 346 CA ALA B 28 6.091 -8.889 -4.051 1.00 0.00 C ATOM 347 C ALA B 28 6.057 -8.078 -5.327 1.00 0.00 C ATOM 348 O ALA B 28 6.731 -7.128 -5.408 1.00 0.00 O ATOM 349 CB ALA B 28 7.008 -10.086 -4.111 1.00 0.00 C ATOM 0 H ALA B 28 4.687 -10.352 -3.576 1.00 0.00 H new ATOM 0 HA ALA B 28 6.486 -8.197 -3.308 1.00 0.00 H new ATOM 0 HB1 ALA B 28 8.006 -9.765 -4.408 1.00 0.00 H new ATOM 0 HB2 ALA B 28 7.055 -10.558 -3.130 1.00 0.00 H new ATOM 0 HB3 ALA B 28 6.626 -10.801 -4.839 1.00 0.00 H new ATOM 355 N ALA B 29 5.200 -8.347 -6.280 1.00 0.00 N ATOM 356 CA ALA B 29 4.963 -7.513 -7.431 1.00 0.00 C ATOM 357 C ALA B 29 4.241 -6.232 -7.073 1.00 0.00 C ATOM 358 O ALA B 29 4.622 -5.181 -7.530 1.00 0.00 O ATOM 359 CB ALA B 29 4.172 -8.317 -8.442 1.00 0.00 C ATOM 0 H ALA B 29 4.624 -9.189 -6.274 1.00 0.00 H new ATOM 0 HA ALA B 29 5.921 -7.211 -7.853 1.00 0.00 H new ATOM 0 HB1 ALA B 29 3.980 -7.705 -9.324 1.00 0.00 H new ATOM 0 HB2 ALA B 29 4.742 -9.200 -8.730 1.00 0.00 H new ATOM 0 HB3 ALA B 29 3.224 -8.625 -8.001 1.00 0.00 H new ATOM 365 N ALA B 30 3.215 -6.248 -6.249 1.00 0.00 N ATOM 366 CA ALA B 30 2.353 -5.128 -5.966 1.00 0.00 C ATOM 367 C ALA B 30 3.045 -4.091 -5.101 1.00 0.00 C ATOM 368 O ALA B 30 2.982 -2.894 -5.338 1.00 0.00 O ATOM 369 CB ALA B 30 1.120 -5.666 -5.260 1.00 0.00 C ATOM 0 H ALA B 30 2.949 -7.087 -5.734 1.00 0.00 H new ATOM 0 HA ALA B 30 2.084 -4.630 -6.898 1.00 0.00 H new ATOM 0 HB1 ALA B 30 0.444 -4.842 -5.030 1.00 0.00 H new ATOM 0 HB2 ALA B 30 0.613 -6.382 -5.907 1.00 0.00 H new ATOM 0 HB3 ALA B 30 1.417 -6.160 -4.335 1.00 0.00 H new ATOM 375 N ILE B 31 3.712 -4.578 -4.065 1.00 0.00 N ATOM 376 CA ILE B 31 4.339 -3.797 -3.021 1.00 0.00 C ATOM 377 C ILE B 31 5.637 -3.195 -3.515 1.00 0.00 C ATOM 378 O ILE B 31 5.975 -2.094 -3.106 1.00 0.00 O ATOM 379 CB ILE B 31 4.616 -4.678 -1.814 1.00 0.00 C ATOM 380 CG1 ILE B 31 3.355 -5.393 -1.355 1.00 0.00 C ATOM 381 CG2 ILE B 31 5.274 -3.888 -0.694 1.00 0.00 C ATOM 382 CD1 ILE B 31 2.362 -4.539 -0.577 1.00 0.00 C ATOM 0 H ILE B 31 3.834 -5.581 -3.927 1.00 0.00 H new ATOM 0 HA ILE B 31 3.662 -2.991 -2.738 1.00 0.00 H new ATOM 0 HB ILE B 31 5.326 -5.449 -2.114 1.00 0.00 H new ATOM 0 HG12 ILE B 31 2.850 -5.799 -2.231 1.00 0.00 H new ATOM 0 HG13 ILE B 31 3.645 -6.240 -0.733 1.00 0.00 H new ATOM 0 HG21 ILE B 31 5.459 -4.546 0.155 1.00 0.00 H new ATOM 0 HG22 ILE B 31 6.219 -3.475 -1.046 1.00 0.00 H new ATOM 0 HG23 ILE B 31 4.616 -3.075 -0.386 1.00 0.00 H new ATOM 0 HD11 ILE B 31 1.500 -5.146 -0.298 1.00 0.00 H new ATOM 0 HD12 ILE B 31 2.841 -4.153 0.323 1.00 0.00 H new ATOM 0 HD13 ILE B 31 2.033 -3.706 -1.198 1.00 0.00 H new ATOM 394 N LYS B 32 6.332 -3.859 -4.430 1.00 0.00 N ATOM 395 CA LYS B 32 7.475 -3.278 -5.093 1.00 0.00 C ATOM 396 C LYS B 32 7.102 -2.057 -5.899 1.00 0.00 C ATOM 397 O LYS B 32 7.774 -1.076 -5.856 1.00 0.00 O ATOM 398 CB LYS B 32 8.168 -4.356 -5.892 1.00 0.00 C ATOM 399 CG LYS B 32 9.032 -5.256 -5.041 1.00 0.00 C ATOM 400 CD LYS B 32 9.917 -6.116 -5.856 1.00 0.00 C ATOM 401 CE LYS B 32 10.599 -7.094 -5.512 1.00 0.00 C ATOM 402 NZ LYS B 32 10.768 -7.773 -6.312 1.00 0.00 N ATOM 0 H LYS B 32 6.115 -4.810 -4.727 1.00 0.00 H new ATOM 0 HA LYS B 32 8.184 -2.902 -4.355 1.00 0.00 H new ATOM 0 HB2 LYS B 32 7.419 -4.959 -6.405 1.00 0.00 H new ATOM 0 HB3 LYS B 32 8.784 -3.891 -6.662 1.00 0.00 H new ATOM 0 HG2 LYS B 32 9.638 -4.647 -4.370 1.00 0.00 H new ATOM 0 HG3 LYS B 32 8.396 -5.882 -4.416 1.00 0.00 H new ATOM 0 HD2 LYS B 32 9.279 -6.491 -6.656 1.00 0.00 H new ATOM 0 HD3 LYS B 32 10.629 -5.428 -6.312 1.00 0.00 H new ATOM 0 HE2 LYS B 32 11.557 -6.747 -5.125 1.00 0.00 H new ATOM 0 HE3 LYS B 32 10.096 -7.615 -4.697 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 11.580 -8.382 -6.085 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 9.922 -8.361 -6.453 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 10.968 -7.241 -7.183 1.00 0.00 H new ATOM 416 N ALA B 33 5.979 -2.093 -6.590 1.00 0.00 N ATOM 417 CA ALA B 33 5.330 -1.002 -7.281 1.00 0.00 C ATOM 418 C ALA B 33 4.744 0.086 -6.405 1.00 0.00 C ATOM 419 O ALA B 33 4.336 1.101 -6.919 1.00 0.00 O ATOM 420 CB ALA B 33 4.273 -1.546 -8.218 1.00 0.00 C ATOM 0 H ALA B 33 5.455 -2.962 -6.689 1.00 0.00 H new ATOM 0 HA ALA B 33 6.129 -0.505 -7.830 1.00 0.00 H new ATOM 0 HB1 ALA B 33 3.787 -0.720 -8.737 1.00 0.00 H new ATOM 0 HB2 ALA B 33 4.739 -2.208 -8.948 1.00 0.00 H new ATOM 0 HB3 ALA B 33 3.531 -2.102 -7.646 1.00 0.00 H new ATOM 426 N ILE B 34 4.730 -0.081 -5.088 1.00 0.00 N ATOM 427 CA ILE B 34 4.376 0.903 -4.092 1.00 0.00 C ATOM 428 C ILE B 34 5.556 1.411 -3.284 1.00 0.00 C ATOM 429 O ILE B 34 5.751 2.615 -3.286 1.00 0.00 O ATOM 430 CB ILE B 34 3.168 0.401 -3.319 1.00 0.00 C ATOM 431 CG1 ILE B 34 1.994 1.357 -3.348 1.00 0.00 C ATOM 432 CG2 ILE B 34 3.397 -0.088 -1.902 1.00 0.00 C ATOM 433 CD1 ILE B 34 2.075 2.537 -2.400 1.00 0.00 C ATOM 0 H ILE B 34 4.985 -0.974 -4.666 1.00 0.00 H new ATOM 0 HA ILE B 34 4.064 1.830 -4.573 1.00 0.00 H new ATOM 0 HB ILE B 34 2.928 -0.496 -3.890 1.00 0.00 H new ATOM 0 HG12 ILE B 34 1.887 1.739 -4.363 1.00 0.00 H new ATOM 0 HG13 ILE B 34 1.088 0.795 -3.121 1.00 0.00 H new ATOM 0 HG21 ILE B 34 2.450 -0.415 -1.473 1.00 0.00 H new ATOM 0 HG22 ILE B 34 4.098 -0.923 -1.914 1.00 0.00 H new ATOM 0 HG23 ILE B 34 3.808 0.722 -1.299 1.00 0.00 H new ATOM 0 HD11 ILE B 34 1.182 3.152 -2.507 1.00 0.00 H new ATOM 0 HD12 ILE B 34 2.145 2.175 -1.374 1.00 0.00 H new ATOM 0 HD13 ILE B 34 2.956 3.133 -2.636 1.00 0.00 H new ATOM 445 N ALA B 35 6.412 0.580 -2.697 1.00 0.00 N ATOM 446 CA ALA B 35 7.480 1.028 -1.830 1.00 0.00 C ATOM 447 C ALA B 35 8.546 1.827 -2.558 1.00 0.00 C ATOM 448 O ALA B 35 9.060 2.801 -2.026 1.00 0.00 O ATOM 449 CB ALA B 35 8.059 -0.191 -1.139 1.00 0.00 C ATOM 0 H ALA B 35 6.377 -0.433 -2.816 1.00 0.00 H new ATOM 0 HA ALA B 35 7.072 1.721 -1.095 1.00 0.00 H new ATOM 0 HB1 ALA B 35 8.869 0.116 -0.477 1.00 0.00 H new ATOM 0 HB2 ALA B 35 7.280 -0.683 -0.556 1.00 0.00 H new ATOM 0 HB3 ALA B 35 8.445 -0.884 -1.887 1.00 0.00 H new ATOM 455 N ALA B 36 8.842 1.461 -3.800 1.00 0.00 N ATOM 456 CA ALA B 36 9.746 2.164 -4.681 1.00 0.00 C ATOM 457 C ALA B 36 9.186 3.478 -5.190 1.00 0.00 C ATOM 458 O ALA B 36 9.918 4.395 -5.491 1.00 0.00 O ATOM 459 CB ALA B 36 10.155 1.219 -5.797 1.00 0.00 C ATOM 0 H ALA B 36 8.438 0.630 -4.232 1.00 0.00 H new ATOM 0 HA ALA B 36 10.632 2.460 -4.119 1.00 0.00 H new ATOM 0 HB1 ALA B 36 10.839 1.730 -6.475 1.00 0.00 H new ATOM 0 HB2 ALA B 36 10.651 0.347 -5.372 1.00 0.00 H new ATOM 0 HB3 ALA B 36 9.269 0.901 -6.347 1.00 0.00 H new ATOM 465 N ILE B 37 7.872 3.604 -5.215 1.00 0.00 N ATOM 466 CA ILE B 37 7.138 4.788 -5.601 1.00 0.00 C ATOM 467 C ILE B 37 6.932 5.685 -4.398 1.00 0.00 C ATOM 468 O ILE B 37 7.182 6.876 -4.516 1.00 0.00 O ATOM 469 CB ILE B 37 5.853 4.339 -6.277 1.00 0.00 C ATOM 470 CG1 ILE B 37 6.058 3.862 -7.705 1.00 0.00 C ATOM 471 CG2 ILE B 37 4.814 5.444 -6.339 1.00 0.00 C ATOM 472 CD1 ILE B 37 7.002 2.709 -7.954 1.00 0.00 C ATOM 0 H ILE B 37 7.255 2.836 -4.950 1.00 0.00 H new ATOM 0 HA ILE B 37 7.689 5.396 -6.318 1.00 0.00 H new ATOM 0 HB ILE B 37 5.509 3.514 -5.654 1.00 0.00 H new ATOM 0 HG12 ILE B 37 5.083 3.583 -8.104 1.00 0.00 H new ATOM 0 HG13 ILE B 37 6.411 4.711 -8.290 1.00 0.00 H new ATOM 0 HG21 ILE B 37 3.916 5.071 -6.831 1.00 0.00 H new ATOM 0 HG22 ILE B 37 4.566 5.768 -5.328 1.00 0.00 H new ATOM 0 HG23 ILE B 37 5.213 6.287 -6.903 1.00 0.00 H new ATOM 0 HD11 ILE B 37 7.037 2.492 -9.022 1.00 0.00 H new ATOM 0 HD12 ILE B 37 8.000 2.974 -7.605 1.00 0.00 H new ATOM 0 HD13 ILE B 37 6.651 1.829 -7.416 1.00 0.00 H new ATOM 484 N ILE B 38 6.700 5.186 -3.186 1.00 0.00 N ATOM 485 CA ILE B 38 6.807 5.885 -1.926 1.00 0.00 C ATOM 486 C ILE B 38 8.122 6.627 -1.760 1.00 0.00 C ATOM 487 O ILE B 38 8.098 7.786 -1.359 1.00 0.00 O ATOM 488 CB ILE B 38 6.521 4.954 -0.756 1.00 0.00 C ATOM 489 CG1 ILE B 38 5.049 4.570 -0.770 1.00 0.00 C ATOM 490 CG2 ILE B 38 6.868 5.598 0.579 1.00 0.00 C ATOM 491 CD1 ILE B 38 4.610 3.581 0.292 1.00 0.00 C ATOM 0 H ILE B 38 6.413 4.215 -3.060 1.00 0.00 H new ATOM 0 HA ILE B 38 6.038 6.658 -1.933 1.00 0.00 H new ATOM 0 HB ILE B 38 7.146 4.068 -0.868 1.00 0.00 H new ATOM 0 HG12 ILE B 38 4.456 5.478 -0.660 1.00 0.00 H new ATOM 0 HG13 ILE B 38 4.812 4.151 -1.748 1.00 0.00 H new ATOM 0 HG21 ILE B 38 6.649 4.900 1.387 1.00 0.00 H new ATOM 0 HG22 ILE B 38 7.928 5.852 0.596 1.00 0.00 H new ATOM 0 HG23 ILE B 38 6.276 6.504 0.711 1.00 0.00 H new ATOM 0 HD11 ILE B 38 3.544 3.382 0.185 1.00 0.00 H new ATOM 0 HD12 ILE B 38 5.166 2.651 0.175 1.00 0.00 H new ATOM 0 HD13 ILE B 38 4.804 3.998 1.280 1.00 0.00 H new ATOM 503 N LYS B 39 9.243 6.001 -2.106 1.00 0.00 N ATOM 504 CA LYS B 39 10.572 6.563 -2.043 1.00 0.00 C ATOM 505 C LYS B 39 10.672 7.851 -2.842 1.00 0.00 C ATOM 506 O LYS B 39 11.481 8.695 -2.510 1.00 0.00 O ATOM 507 CB LYS B 39 11.524 5.450 -2.443 1.00 0.00 C ATOM 508 CG LYS B 39 12.939 5.913 -2.749 1.00 0.00 C ATOM 509 CD LYS B 39 13.702 6.514 -1.584 1.00 0.00 C ATOM 510 CE LYS B 39 14.403 5.604 -0.792 1.00 0.00 C ATOM 511 NZ LYS B 39 15.102 6.130 0.341 1.00 0.00 N ATOM 0 H LYS B 39 9.240 5.042 -2.454 1.00 0.00 H new ATOM 0 HA LYS B 39 10.845 6.893 -1.041 1.00 0.00 H new ATOM 0 HB2 LYS B 39 11.561 4.714 -1.640 1.00 0.00 H new ATOM 0 HB3 LYS B 39 11.123 4.943 -3.321 1.00 0.00 H new ATOM 0 HG2 LYS B 39 13.505 5.063 -3.130 1.00 0.00 H new ATOM 0 HG3 LYS B 39 12.895 6.651 -3.550 1.00 0.00 H new ATOM 0 HD2 LYS B 39 14.407 7.248 -1.974 1.00 0.00 H new ATOM 0 HD3 LYS B 39 12.998 7.053 -0.951 1.00 0.00 H new ATOM 0 HE2 LYS B 39 13.699 4.852 -0.436 1.00 0.00 H new ATOM 0 HE3 LYS B 39 15.125 5.089 -1.426 1.00 0.00 H new ATOM 0 HZ1 LYS B 39 15.580 5.356 0.844 1.00 0.00 H new ATOM 0 HZ2 LYS B 39 15.808 6.824 0.022 1.00 0.00 H new ATOM 0 HZ3 LYS B 39 14.426 6.594 0.981 1.00 0.00 H new ATOM 525 N ALA B 40 9.873 8.010 -3.887 1.00 0.00 N ATOM 526 CA ALA B 40 9.726 9.219 -4.665 1.00 0.00 C ATOM 527 C ALA B 40 8.632 10.139 -4.180 1.00 0.00 C ATOM 528 O ALA B 40 8.844 11.317 -4.126 1.00 0.00 O ATOM 529 CB ALA B 40 9.568 8.821 -6.115 1.00 0.00 C ATOM 0 H ALA B 40 9.280 7.254 -4.229 1.00 0.00 H new ATOM 0 HA ALA B 40 10.624 9.824 -4.542 1.00 0.00 H new ATOM 0 HB1 ALA B 40 9.455 9.715 -6.728 1.00 0.00 H new ATOM 0 HB2 ALA B 40 10.450 8.269 -6.439 1.00 0.00 H new ATOM 0 HB3 ALA B 40 8.685 8.192 -6.225 1.00 0.00 H new ATOM 535 N GLY B 41 7.497 9.636 -3.740 1.00 0.00 N ATOM 536 CA GLY B 41 6.325 10.383 -3.355 1.00 0.00 C ATOM 537 C GLY B 41 6.359 11.017 -1.982 1.00 0.00 C ATOM 538 O GLY B 41 5.658 11.966 -1.764 1.00 0.00 O ATOM 0 H GLY B 41 7.364 8.630 -3.637 1.00 0.00 H new ATOM 0 HA2 GLY B 41 6.163 11.170 -4.092 1.00 0.00 H new ATOM 0 HA3 GLY B 41 5.463 9.718 -3.404 1.00 0.00 H new ATOM 542 N GLY B 42 7.137 10.519 -1.045 1.00 0.00 N ATOM 543 CA GLY B 42 7.293 11.116 0.255 1.00 0.00 C ATOM 544 C GLY B 42 6.085 11.006 1.161 1.00 0.00 C ATOM 545 O GLY B 42 5.752 11.948 1.826 1.00 0.00 O ATOM 0 H GLY B 42 7.688 9.670 -1.173 1.00 0.00 H new ATOM 0 HA2 GLY B 42 8.144 10.650 0.752 1.00 0.00 H new ATOM 0 HA3 GLY B 42 7.537 12.171 0.127 1.00 0.00 H new ATOM 549 N PHE B 43 5.392 9.878 1.160 1.00 0.00 N ATOM 550 CA PHE B 43 4.167 9.619 1.878 1.00 0.00 C ATOM 551 C PHE B 43 4.281 9.691 3.384 1.00 0.00 C ATOM 552 O PHE B 43 3.582 10.451 4.004 1.00 0.00 O ATOM 553 CB PHE B 43 3.692 8.241 1.438 1.00 0.00 C ATOM 554 CG PHE B 43 3.220 8.095 0.016 1.00 0.00 C ATOM 555 CD1 PHE B 43 4.138 8.026 -1.034 1.00 0.00 C ATOM 556 CD2 PHE B 43 1.870 7.940 -0.283 1.00 0.00 C ATOM 557 CE1 PHE B 43 3.744 7.656 -2.319 1.00 0.00 C ATOM 558 CE2 PHE B 43 1.442 7.706 -1.589 1.00 0.00 C ATOM 559 CZ PHE B 43 2.391 7.535 -2.595 1.00 0.00 C ATOM 0 H PHE B 43 5.696 9.069 0.619 1.00 0.00 H new ATOM 0 HA PHE B 43 3.455 10.408 1.634 1.00 0.00 H new ATOM 0 HB2 PHE B 43 4.508 7.536 1.596 1.00 0.00 H new ATOM 0 HB3 PHE B 43 2.878 7.939 2.096 1.00 0.00 H new ATOM 0 HD1 PHE B 43 5.175 8.264 -0.847 1.00 0.00 H new ATOM 0 HD2 PHE B 43 1.141 8.002 0.511 1.00 0.00 H new ATOM 0 HE1 PHE B 43 4.480 7.467 -3.086 1.00 0.00 H new ATOM 0 HE2 PHE B 43 0.388 7.658 -1.818 1.00 0.00 H new ATOM 0 HZ PHE B 43 2.069 7.306 -3.600 1.00 0.00 H new HETATM 569 N NH2 B 44 5.141 8.900 3.998 1.00 0.00 N TER 572 NH2 B 44 HETATM 573 C ACE C 45 -7.574 12.359 -1.694 1.00 0.00 C HETATM 574 O ACE C 45 -6.962 13.410 -1.822 1.00 0.00 O HETATM 575 CH3 ACE C 45 -9.083 12.326 -1.745 1.00 0.00 C HETATM 0 H1 ACE C 45 -9.405 11.683 -2.564 1.00 0.00 H new HETATM 0 H2 ACE C 45 -9.470 11.936 -0.804 1.00 0.00 H new HETATM 0 H3 ACE C 45 -9.464 13.335 -1.904 1.00 0.00 H new ATOM 579 N ALA C 46 -6.961 11.224 -1.386 1.00 0.00 N ATOM 580 CA ALA C 46 -5.624 11.066 -0.864 1.00 0.00 C ATOM 581 C ALA C 46 -5.253 11.881 0.359 1.00 0.00 C ATOM 582 O ALA C 46 -4.101 11.918 0.742 1.00 0.00 O ATOM 583 CB ALA C 46 -4.619 11.202 -1.994 1.00 0.00 C ATOM 0 H ALA C 46 -7.428 10.325 -1.507 1.00 0.00 H new ATOM 0 HA ALA C 46 -5.598 10.056 -0.454 1.00 0.00 H new ATOM 0 HB1 ALA C 46 -3.610 11.083 -1.600 1.00 0.00 H new ATOM 0 HB2 ALA C 46 -4.809 10.434 -2.744 1.00 0.00 H new ATOM 0 HB3 ALA C 46 -4.716 12.187 -2.451 1.00 0.00 H new ATOM 589 N LYS C 47 -6.220 12.469 1.049 1.00 0.00 N ATOM 590 CA LYS C 47 -6.064 13.145 2.318 1.00 0.00 C ATOM 591 C LYS C 47 -5.796 12.144 3.426 1.00 0.00 C ATOM 592 O LYS C 47 -5.172 12.497 4.415 1.00 0.00 O ATOM 593 CB LYS C 47 -7.317 13.937 2.644 1.00 0.00 C ATOM 594 CG LYS C 47 -7.859 14.896 1.611 1.00 0.00 C ATOM 595 CD LYS C 47 -6.937 16.022 1.273 1.00 0.00 C ATOM 596 CE LYS C 47 -7.444 16.825 0.111 1.00 0.00 C ATOM 597 NZ LYS C 47 -8.507 17.683 0.397 1.00 0.00 N ATOM 0 H LYS C 47 -7.184 12.485 0.716 1.00 0.00 H new ATOM 0 HA LYS C 47 -5.215 13.824 2.242 1.00 0.00 H new ATOM 0 HB2 LYS C 47 -8.107 13.224 2.879 1.00 0.00 H new ATOM 0 HB3 LYS C 47 -7.121 14.506 3.553 1.00 0.00 H new ATOM 0 HG2 LYS C 47 -8.085 14.341 0.700 1.00 0.00 H new ATOM 0 HG3 LYS C 47 -8.800 15.309 1.974 1.00 0.00 H new ATOM 0 HD2 LYS C 47 -6.822 16.671 2.141 1.00 0.00 H new ATOM 0 HD3 LYS C 47 -5.949 15.626 1.038 1.00 0.00 H new ATOM 0 HE2 LYS C 47 -6.620 17.415 -0.289 1.00 0.00 H new ATOM 0 HE3 LYS C 47 -7.755 16.138 -0.676 1.00 0.00 H new ATOM 0 HZ1 LYS C 47 -8.785 18.192 -0.467 1.00 0.00 H new ATOM 0 HZ2 LYS C 47 -9.315 17.130 0.748 1.00 0.00 H new ATOM 0 HZ3 LYS C 47 -8.215 18.368 1.123 1.00 0.00 H new ATOM 611 N ALA C 48 -6.198 10.896 3.240 1.00 0.00 N ATOM 612 CA ALA C 48 -5.907 9.745 4.065 1.00 0.00 C ATOM 613 C ALA C 48 -4.490 9.213 3.926 1.00 0.00 C ATOM 614 O ALA C 48 -4.087 8.381 4.723 1.00 0.00 O ATOM 615 CB ALA C 48 -6.905 8.680 3.632 1.00 0.00 C ATOM 0 H ALA C 48 -6.783 10.648 2.442 1.00 0.00 H new ATOM 0 HA ALA C 48 -5.991 10.026 5.115 1.00 0.00 H new ATOM 0 HB1 ALA C 48 -6.746 7.773 4.216 1.00 0.00 H new ATOM 0 HB2 ALA C 48 -7.919 9.044 3.796 1.00 0.00 H new ATOM 0 HB3 ALA C 48 -6.765 8.459 2.574 1.00 0.00 H new ATOM 621 N ALA C 49 -3.772 9.589 2.874 1.00 0.00 N ATOM 622 CA ALA C 49 -2.690 8.784 2.351 1.00 0.00 C ATOM 623 C ALA C 49 -1.400 8.828 3.148 1.00 0.00 C ATOM 624 O ALA C 49 -0.861 7.784 3.459 1.00 0.00 O ATOM 625 CB ALA C 49 -2.519 9.061 0.863 1.00 0.00 C ATOM 0 H ALA C 49 -3.928 10.459 2.365 1.00 0.00 H new ATOM 0 HA ALA C 49 -2.982 7.741 2.473 1.00 0.00 H new ATOM 0 HB1 ALA C 49 -1.703 8.453 0.471 1.00 0.00 H new ATOM 0 HB2 ALA C 49 -3.441 8.812 0.338 1.00 0.00 H new ATOM 0 HB3 ALA C 49 -2.290 10.116 0.713 1.00 0.00 H new ATOM 631 N ALA C 50 -0.917 9.993 3.559 1.00 0.00 N ATOM 632 CA ALA C 50 0.217 10.129 4.444 1.00 0.00 C ATOM 633 C ALA C 50 0.010 9.386 5.752 1.00 0.00 C ATOM 634 O ALA C 50 0.785 8.517 6.131 1.00 0.00 O ATOM 635 CB ALA C 50 0.501 11.612 4.619 1.00 0.00 C ATOM 0 H ALA C 50 -1.317 10.887 3.276 1.00 0.00 H new ATOM 0 HA ALA C 50 1.098 9.659 4.007 1.00 0.00 H new ATOM 0 HB1 ALA C 50 1.354 11.743 5.284 1.00 0.00 H new ATOM 0 HB2 ALA C 50 0.725 12.056 3.649 1.00 0.00 H new ATOM 0 HB3 ALA C 50 -0.373 12.101 5.049 1.00 0.00 H new ATOM 641 N ALA C 51 -1.123 9.620 6.404 1.00 0.00 N ATOM 642 CA ALA C 51 -1.509 8.962 7.632 1.00 0.00 C ATOM 643 C ALA C 51 -1.705 7.469 7.470 1.00 0.00 C ATOM 644 O ALA C 51 -1.458 6.724 8.394 1.00 0.00 O ATOM 645 CB ALA C 51 -2.724 9.616 8.243 1.00 0.00 C ATOM 0 H ALA C 51 -1.815 10.295 6.077 1.00 0.00 H new ATOM 0 HA ALA C 51 -0.674 9.084 8.322 1.00 0.00 H new ATOM 0 HB1 ALA C 51 -2.990 9.099 9.165 1.00 0.00 H new ATOM 0 HB2 ALA C 51 -2.503 10.660 8.463 1.00 0.00 H new ATOM 0 HB3 ALA C 51 -3.558 9.561 7.543 1.00 0.00 H new ATOM 651 N ALA C 52 -2.093 6.968 6.303 1.00 0.00 N ATOM 652 CA ALA C 52 -2.167 5.555 6.028 1.00 0.00 C ATOM 653 C ALA C 52 -0.776 4.953 5.986 1.00 0.00 C ATOM 654 O ALA C 52 -0.446 3.993 6.653 1.00 0.00 O ATOM 655 CB ALA C 52 -2.894 5.319 4.717 1.00 0.00 C ATOM 0 H ALA C 52 -2.368 7.551 5.513 1.00 0.00 H new ATOM 0 HA ALA C 52 -2.725 5.067 6.827 1.00 0.00 H new ATOM 0 HB1 ALA C 52 -2.945 4.249 4.517 1.00 0.00 H new ATOM 0 HB2 ALA C 52 -3.904 5.725 4.783 1.00 0.00 H new ATOM 0 HB3 ALA C 52 -2.356 5.814 3.908 1.00 0.00 H new ATOM 661 N ILE C 53 0.066 5.525 5.129 1.00 0.00 N ATOM 662 CA ILE C 53 1.316 4.940 4.700 1.00 0.00 C ATOM 663 C ILE C 53 2.446 5.183 5.678 1.00 0.00 C ATOM 664 O ILE C 53 3.404 4.427 5.696 1.00 0.00 O ATOM 665 CB ILE C 53 1.563 5.399 3.269 1.00 0.00 C ATOM 666 CG1 ILE C 53 0.689 4.466 2.464 1.00 0.00 C ATOM 667 CG2 ILE C 53 3.010 5.325 2.829 1.00 0.00 C ATOM 668 CD1 ILE C 53 0.488 4.940 1.067 1.00 0.00 C ATOM 0 H ILE C 53 -0.116 6.435 4.706 1.00 0.00 H new ATOM 0 HA ILE C 53 1.261 3.851 4.696 1.00 0.00 H new ATOM 0 HB ILE C 53 1.328 6.456 3.142 1.00 0.00 H new ATOM 0 HG12 ILE C 53 1.141 3.474 2.447 1.00 0.00 H new ATOM 0 HG13 ILE C 53 -0.280 4.367 2.954 1.00 0.00 H new ATOM 0 HG21 ILE C 53 3.095 5.670 1.799 1.00 0.00 H new ATOM 0 HG22 ILE C 53 3.619 5.957 3.475 1.00 0.00 H new ATOM 0 HG23 ILE C 53 3.359 4.294 2.896 1.00 0.00 H new ATOM 0 HD11 ILE C 53 -0.147 4.234 0.531 1.00 0.00 H new ATOM 0 HD12 ILE C 53 0.011 5.920 1.080 1.00 0.00 H new ATOM 0 HD13 ILE C 53 1.453 5.013 0.565 1.00 0.00 H new ATOM 680 N LYS C 54 2.347 6.155 6.579 1.00 0.00 N ATOM 681 CA LYS C 54 3.294 6.322 7.659 1.00 0.00 C ATOM 682 C LYS C 54 3.271 5.194 8.670 1.00 0.00 C ATOM 683 O LYS C 54 4.296 4.936 9.275 1.00 0.00 O ATOM 684 CB LYS C 54 3.017 7.669 8.313 1.00 0.00 C ATOM 685 CG LYS C 54 3.597 8.836 7.527 1.00 0.00 C ATOM 686 CD LYS C 54 3.257 10.161 8.162 1.00 0.00 C ATOM 687 CE LYS C 54 3.810 11.317 7.360 1.00 0.00 C ATOM 688 NZ LYS C 54 3.666 12.580 8.016 1.00 0.00 N ATOM 0 H LYS C 54 1.600 6.850 6.574 1.00 0.00 H new ATOM 0 HA LYS C 54 4.302 6.293 7.245 1.00 0.00 H new ATOM 0 HB2 LYS C 54 1.940 7.804 8.414 1.00 0.00 H new ATOM 0 HB3 LYS C 54 3.434 7.672 9.320 1.00 0.00 H new ATOM 0 HG2 LYS C 54 4.680 8.730 7.464 1.00 0.00 H new ATOM 0 HG3 LYS C 54 3.215 8.813 6.506 1.00 0.00 H new ATOM 0 HD2 LYS C 54 2.175 10.259 8.245 1.00 0.00 H new ATOM 0 HD3 LYS C 54 3.659 10.194 9.175 1.00 0.00 H new ATOM 0 HE2 LYS C 54 4.866 11.138 7.159 1.00 0.00 H new ATOM 0 HE3 LYS C 54 3.304 11.356 6.396 1.00 0.00 H new ATOM 0 HZ1 LYS C 54 4.064 13.330 7.416 1.00 0.00 H new ATOM 0 HZ2 LYS C 54 2.658 12.770 8.185 1.00 0.00 H new ATOM 0 HZ3 LYS C 54 4.172 12.559 8.925 1.00 0.00 H new ATOM 702 N ALA C 55 2.193 4.421 8.723 1.00 0.00 N ATOM 703 CA ALA C 55 2.188 3.072 9.226 1.00 0.00 C ATOM 704 C ALA C 55 2.769 2.097 8.223 1.00 0.00 C ATOM 705 O ALA C 55 3.801 1.487 8.467 1.00 0.00 O ATOM 706 CB ALA C 55 0.772 2.759 9.672 1.00 0.00 C ATOM 0 H ALA C 55 1.276 4.734 8.405 1.00 0.00 H new ATOM 0 HA ALA C 55 2.845 2.967 10.089 1.00 0.00 H new ATOM 0 HB1 ALA C 55 0.729 1.741 10.060 1.00 0.00 H new ATOM 0 HB2 ALA C 55 0.474 3.458 10.453 1.00 0.00 H new ATOM 0 HB3 ALA C 55 0.094 2.852 8.823 1.00 0.00 H new ATOM 712 N ILE C 56 2.177 1.970 7.041 1.00 0.00 N ATOM 713 CA ILE C 56 2.395 0.870 6.131 1.00 0.00 C ATOM 714 C ILE C 56 3.793 0.830 5.547 1.00 0.00 C ATOM 715 O ILE C 56 4.374 -0.241 5.435 1.00 0.00 O ATOM 716 CB ILE C 56 1.324 0.734 5.060 1.00 0.00 C ATOM 717 CG1 ILE C 56 -0.076 0.690 5.641 1.00 0.00 C ATOM 718 CG2 ILE C 56 1.550 -0.454 4.155 1.00 0.00 C ATOM 719 CD1 ILE C 56 -0.457 -0.423 6.527 1.00 0.00 C ATOM 0 H ILE C 56 1.512 2.656 6.685 1.00 0.00 H new ATOM 0 HA ILE C 56 2.303 -0.015 6.761 1.00 0.00 H new ATOM 0 HB ILE C 56 1.410 1.636 4.454 1.00 0.00 H new ATOM 0 HG12 ILE C 56 -0.229 1.616 6.195 1.00 0.00 H new ATOM 0 HG13 ILE C 56 -0.777 0.698 4.806 1.00 0.00 H new ATOM 0 HG21 ILE C 56 0.755 -0.501 3.411 1.00 0.00 H new ATOM 0 HG22 ILE C 56 2.512 -0.351 3.653 1.00 0.00 H new ATOM 0 HG23 ILE C 56 1.546 -1.369 4.748 1.00 0.00 H new ATOM 0 HD11 ILE C 56 -1.490 -0.294 6.849 1.00 0.00 H new ATOM 0 HD12 ILE C 56 -0.359 -1.366 5.989 1.00 0.00 H new ATOM 0 HD13 ILE C 56 0.196 -0.434 7.399 1.00 0.00 H new ATOM 731 N ALA C 57 4.436 1.954 5.235 1.00 0.00 N ATOM 732 CA ALA C 57 5.815 1.937 4.811 1.00 0.00 C ATOM 733 C ALA C 57 6.813 1.516 5.871 1.00 0.00 C ATOM 734 O ALA C 57 7.828 0.945 5.537 1.00 0.00 O ATOM 735 CB ALA C 57 6.150 3.300 4.244 1.00 0.00 C ATOM 0 H ALA C 57 4.015 2.882 5.271 1.00 0.00 H new ATOM 0 HA ALA C 57 5.908 1.160 4.053 1.00 0.00 H new ATOM 0 HB1 ALA C 57 7.189 3.312 3.916 1.00 0.00 H new ATOM 0 HB2 ALA C 57 5.499 3.511 3.395 1.00 0.00 H new ATOM 0 HB3 ALA C 57 6.003 4.060 5.012 1.00 0.00 H new ATOM 741 N ALA C 58 6.486 1.737 7.141 1.00 0.00 N ATOM 742 CA ALA C 58 7.313 1.357 8.261 1.00 0.00 C ATOM 743 C ALA C 58 7.149 -0.118 8.571 1.00 0.00 C ATOM 744 O ALA C 58 8.094 -0.817 8.893 1.00 0.00 O ATOM 745 CB ALA C 58 6.991 2.243 9.452 1.00 0.00 C ATOM 0 H ALA C 58 5.618 2.196 7.417 1.00 0.00 H new ATOM 0 HA ALA C 58 8.364 1.506 8.011 1.00 0.00 H new ATOM 0 HB1 ALA C 58 7.615 1.956 10.298 1.00 0.00 H new ATOM 0 HB2 ALA C 58 7.185 3.284 9.194 1.00 0.00 H new ATOM 0 HB3 ALA C 58 5.941 2.125 9.720 1.00 0.00 H new ATOM 751 N ILE C 59 5.923 -0.598 8.392 1.00 0.00 N ATOM 752 CA ILE C 59 5.497 -1.977 8.492 1.00 0.00 C ATOM 753 C ILE C 59 6.155 -2.770 7.378 1.00 0.00 C ATOM 754 O ILE C 59 6.729 -3.810 7.658 1.00 0.00 O ATOM 755 CB ILE C 59 3.977 -2.016 8.519 1.00 0.00 C ATOM 756 CG1 ILE C 59 3.442 -1.516 9.848 1.00 0.00 C ATOM 757 CG2 ILE C 59 3.377 -3.370 8.179 1.00 0.00 C ATOM 758 CD1 ILE C 59 1.992 -1.094 9.834 1.00 0.00 C ATOM 0 H ILE C 59 5.147 0.020 8.155 1.00 0.00 H new ATOM 0 HA ILE C 59 5.817 -2.454 9.418 1.00 0.00 H new ATOM 0 HB ILE C 59 3.660 -1.343 7.722 1.00 0.00 H new ATOM 0 HG12 ILE C 59 3.569 -2.302 10.593 1.00 0.00 H new ATOM 0 HG13 ILE C 59 4.048 -0.670 10.171 1.00 0.00 H new ATOM 0 HG21 ILE C 59 2.290 -3.307 8.222 1.00 0.00 H new ATOM 0 HG22 ILE C 59 3.684 -3.662 7.175 1.00 0.00 H new ATOM 0 HG23 ILE C 59 3.726 -4.113 8.896 1.00 0.00 H new ATOM 0 HD11 ILE C 59 1.703 -0.753 10.828 1.00 0.00 H new ATOM 0 HD12 ILE C 59 1.856 -0.283 9.118 1.00 0.00 H new ATOM 0 HD13 ILE C 59 1.369 -1.941 9.546 1.00 0.00 H new ATOM 770 N ILE C 60 6.146 -2.297 6.141 1.00 0.00 N ATOM 771 CA ILE C 60 6.895 -2.829 5.024 1.00 0.00 C ATOM 772 C ILE C 60 8.385 -2.969 5.284 1.00 0.00 C ATOM 773 O ILE C 60 8.982 -4.004 5.029 1.00 0.00 O ATOM 774 CB ILE C 60 6.601 -2.053 3.750 1.00 0.00 C ATOM 775 CG1 ILE C 60 5.199 -2.400 3.282 1.00 0.00 C ATOM 776 CG2 ILE C 60 7.541 -2.383 2.603 1.00 0.00 C ATOM 777 CD1 ILE C 60 4.658 -1.676 2.068 1.00 0.00 C ATOM 0 H ILE C 60 5.583 -1.487 5.880 1.00 0.00 H new ATOM 0 HA ILE C 60 6.544 -3.852 4.887 1.00 0.00 H new ATOM 0 HB ILE C 60 6.724 -0.999 3.998 1.00 0.00 H new ATOM 0 HG12 ILE C 60 5.171 -3.469 3.073 1.00 0.00 H new ATOM 0 HG13 ILE C 60 4.515 -2.219 4.111 1.00 0.00 H new ATOM 0 HG21 ILE C 60 7.270 -1.791 1.729 1.00 0.00 H new ATOM 0 HG22 ILE C 60 8.566 -2.152 2.894 1.00 0.00 H new ATOM 0 HG23 ILE C 60 7.463 -3.443 2.362 1.00 0.00 H new ATOM 0 HD11 ILE C 60 3.649 -2.028 1.854 1.00 0.00 H new ATOM 0 HD12 ILE C 60 4.634 -0.604 2.264 1.00 0.00 H new ATOM 0 HD13 ILE C 60 5.301 -1.874 1.210 1.00 0.00 H new ATOM 789 N LYS C 61 8.987 -1.905 5.814 1.00 0.00 N ATOM 790 CA LYS C 61 10.395 -1.868 6.132 1.00 0.00 C ATOM 791 C LYS C 61 10.799 -2.931 7.137 1.00 0.00 C ATOM 792 O LYS C 61 11.919 -3.410 7.088 1.00 0.00 O ATOM 793 CB LYS C 61 10.681 -0.438 6.560 1.00 0.00 C ATOM 794 CG LYS C 61 12.063 -0.201 7.106 1.00 0.00 C ATOM 795 CD LYS C 61 13.130 -0.384 6.067 1.00 0.00 C ATOM 796 CE LYS C 61 14.163 0.215 6.220 1.00 0.00 C ATOM 797 NZ LYS C 61 15.227 0.079 5.288 1.00 0.00 N ATOM 0 H LYS C 61 8.495 -1.039 6.034 1.00 0.00 H new ATOM 0 HA LYS C 61 11.014 -2.123 5.272 1.00 0.00 H new ATOM 0 HB2 LYS C 61 10.528 0.219 5.704 1.00 0.00 H new ATOM 0 HB3 LYS C 61 9.953 -0.149 7.318 1.00 0.00 H new ATOM 0 HG2 LYS C 61 12.123 0.810 7.509 1.00 0.00 H new ATOM 0 HG3 LYS C 61 12.245 -0.886 7.934 1.00 0.00 H new ATOM 0 HD2 LYS C 61 13.363 -1.447 6.008 1.00 0.00 H new ATOM 0 HD3 LYS C 61 12.713 -0.095 5.102 1.00 0.00 H new ATOM 0 HE2 LYS C 61 13.914 1.275 6.270 1.00 0.00 H new ATOM 0 HE3 LYS C 61 14.555 -0.067 7.197 1.00 0.00 H new ATOM 0 HZ1 LYS C 61 16.029 0.669 5.588 1.00 0.00 H new ATOM 0 HZ2 LYS C 61 15.526 -0.916 5.246 1.00 0.00 H new ATOM 0 HZ3 LYS C 61 14.906 0.384 4.347 1.00 0.00 H new ATOM 811 N ALA C 62 9.906 -3.399 8.003 1.00 0.00 N ATOM 812 CA ALA C 62 10.066 -4.583 8.807 1.00 0.00 C ATOM 813 C ALA C 62 9.695 -5.865 8.089 1.00 0.00 C ATOM 814 O ALA C 62 10.447 -6.823 8.118 1.00 0.00 O ATOM 815 CB ALA C 62 9.234 -4.416 10.065 1.00 0.00 C ATOM 0 H ALA C 62 9.013 -2.934 8.163 1.00 0.00 H new ATOM 0 HA ALA C 62 11.125 -4.684 9.045 1.00 0.00 H new ATOM 0 HB1 ALA C 62 9.339 -5.302 10.691 1.00 0.00 H new ATOM 0 HB2 ALA C 62 9.578 -3.540 10.615 1.00 0.00 H new ATOM 0 HB3 ALA C 62 8.186 -4.286 9.794 1.00 0.00 H new ATOM 821 N GLY C 63 8.542 -5.908 7.430 1.00 0.00 N ATOM 822 CA GLY C 63 7.933 -7.122 6.950 1.00 0.00 C ATOM 823 C GLY C 63 8.469 -7.683 5.655 1.00 0.00 C ATOM 824 O GLY C 63 8.154 -8.806 5.339 1.00 0.00 O ATOM 0 H GLY C 63 7.999 -5.072 7.214 1.00 0.00 H new ATOM 0 HA2 GLY C 63 8.040 -7.885 7.721 1.00 0.00 H new ATOM 0 HA3 GLY C 63 6.865 -6.941 6.827 1.00 0.00 H new ATOM 828 N GLY C 64 9.237 -6.940 4.871 1.00 0.00 N ATOM 829 CA GLY C 64 9.891 -7.414 3.682 1.00 0.00 C ATOM 830 C GLY C 64 8.943 -7.925 2.617 1.00 0.00 C ATOM 831 O GLY C 64 9.132 -9.016 2.126 1.00 0.00 O ATOM 0 H GLY C 64 9.422 -5.955 5.062 1.00 0.00 H new ATOM 0 HA2 GLY C 64 10.490 -6.605 3.263 1.00 0.00 H new ATOM 0 HA3 GLY C 64 10.580 -8.213 3.954 1.00 0.00 H new ATOM 835 N PHE C 65 7.912 -7.161 2.284 1.00 0.00 N ATOM 836 CA PHE C 65 6.752 -7.573 1.535 1.00 0.00 C ATOM 837 C PHE C 65 7.049 -8.016 0.129 1.00 0.00 C ATOM 838 O PHE C 65 6.419 -8.915 -0.326 1.00 0.00 O ATOM 839 CB PHE C 65 5.820 -6.382 1.546 1.00 0.00 C ATOM 840 CG PHE C 65 4.937 -6.214 2.751 1.00 0.00 C ATOM 841 CD1 PHE C 65 5.511 -5.957 3.997 1.00 0.00 C ATOM 842 CD2 PHE C 65 3.556 -6.126 2.598 1.00 0.00 C ATOM 843 CE1 PHE C 65 4.735 -5.518 5.071 1.00 0.00 C ATOM 844 CE2 PHE C 65 2.749 -5.734 3.668 1.00 0.00 C ATOM 845 CZ PHE C 65 3.354 -5.485 4.901 1.00 0.00 C ATOM 0 H PHE C 65 7.869 -6.177 2.550 1.00 0.00 H new ATOM 0 HA PHE C 65 6.314 -8.457 1.998 1.00 0.00 H new ATOM 0 HB2 PHE C 65 6.423 -5.480 1.440 1.00 0.00 H new ATOM 0 HB3 PHE C 65 5.181 -6.444 0.665 1.00 0.00 H new ATOM 0 HD1 PHE C 65 6.573 -6.100 4.132 1.00 0.00 H new ATOM 0 HD2 PHE C 65 3.106 -6.363 1.645 1.00 0.00 H new ATOM 0 HE1 PHE C 65 5.191 -5.214 6.002 1.00 0.00 H new ATOM 0 HE2 PHE C 65 1.682 -5.626 3.544 1.00 0.00 H new ATOM 0 HZ PHE C 65 2.729 -5.259 5.752 1.00 0.00 H new HETATM 855 N NH2 C 66 7.941 -7.373 -0.600 1.00 0.00 N TER 858 NH2 C 66 HETATM 859 C ACE D 67 7.223 -12.015 6.579 1.00 0.00 C HETATM 860 O ACE D 67 6.789 -13.141 6.663 1.00 0.00 O HETATM 861 CH3 ACE D 67 8.355 -11.525 7.446 1.00 0.00 C HETATM 0 H1 ACE D 67 9.190 -11.218 6.816 1.00 0.00 H new HETATM 0 H2 ACE D 67 8.017 -10.675 8.039 1.00 0.00 H new HETATM 0 H3 ACE D 67 8.677 -12.326 8.111 1.00 0.00 H new ATOM 865 N ALA D 68 6.719 -11.070 5.813 1.00 0.00 N ATOM 866 CA ALA D 68 5.459 -11.073 5.135 1.00 0.00 C ATOM 867 C ALA D 68 4.245 -11.422 5.965 1.00 0.00 C ATOM 868 O ALA D 68 3.153 -11.501 5.432 1.00 0.00 O ATOM 869 CB ALA D 68 5.592 -11.916 3.897 1.00 0.00 C ATOM 0 H ALA D 68 7.235 -10.207 5.640 1.00 0.00 H new ATOM 0 HA ALA D 68 5.241 -10.038 4.873 1.00 0.00 H new ATOM 0 HB1 ALA D 68 4.641 -11.932 3.364 1.00 0.00 H new ATOM 0 HB2 ALA D 68 6.363 -11.495 3.251 1.00 0.00 H new ATOM 0 HB3 ALA D 68 5.868 -12.933 4.177 1.00 0.00 H new ATOM 875 N LYS D 69 4.359 -11.588 7.273 1.00 0.00 N ATOM 876 CA LYS D 69 3.269 -11.847 8.185 1.00 0.00 C ATOM 877 C LYS D 69 2.318 -10.668 8.257 1.00 0.00 C ATOM 878 O LYS D 69 1.123 -10.831 8.244 1.00 0.00 O ATOM 879 CB LYS D 69 3.820 -12.200 9.556 1.00 0.00 C ATOM 880 CG LYS D 69 4.249 -13.632 9.615 1.00 0.00 C ATOM 881 CD LYS D 69 5.027 -13.978 10.842 1.00 0.00 C ATOM 882 CE LYS D 69 6.356 -13.581 10.744 1.00 0.00 C ATOM 883 NZ LYS D 69 7.135 -14.024 11.849 1.00 0.00 N ATOM 0 H LYS D 69 5.262 -11.542 7.746 1.00 0.00 H new ATOM 0 HA LYS D 69 2.695 -12.695 7.812 1.00 0.00 H new ATOM 0 HB2 LYS D 69 4.667 -11.554 9.788 1.00 0.00 H new ATOM 0 HB3 LYS D 69 3.060 -12.014 10.315 1.00 0.00 H new ATOM 0 HG2 LYS D 69 3.366 -14.269 9.565 1.00 0.00 H new ATOM 0 HG3 LYS D 69 4.854 -13.857 8.737 1.00 0.00 H new ATOM 0 HD2 LYS D 69 4.569 -13.501 11.708 1.00 0.00 H new ATOM 0 HD3 LYS D 69 4.981 -15.054 11.009 1.00 0.00 H new ATOM 0 HE2 LYS D 69 6.783 -13.973 9.821 1.00 0.00 H new ATOM 0 HE3 LYS D 69 6.404 -12.494 10.681 1.00 0.00 H new ATOM 0 HZ1 LYS D 69 8.118 -13.704 11.731 1.00 0.00 H new ATOM 0 HZ2 LYS D 69 6.745 -13.629 12.729 1.00 0.00 H new ATOM 0 HZ3 LYS D 69 7.112 -15.063 11.896 1.00 0.00 H new ATOM 897 N ALA D 70 2.879 -9.473 8.188 1.00 0.00 N ATOM 898 CA ALA D 70 2.194 -8.222 7.980 1.00 0.00 C ATOM 899 C ALA D 70 1.428 -8.112 6.679 1.00 0.00 C ATOM 900 O ALA D 70 0.520 -7.300 6.588 1.00 0.00 O ATOM 901 CB ALA D 70 3.237 -7.134 8.031 1.00 0.00 C ATOM 0 H ALA D 70 3.887 -9.350 8.282 1.00 0.00 H new ATOM 0 HA ALA D 70 1.437 -8.137 8.760 1.00 0.00 H new ATOM 0 HB1 ALA D 70 2.761 -6.166 7.878 1.00 0.00 H new ATOM 0 HB2 ALA D 70 3.729 -7.146 9.004 1.00 0.00 H new ATOM 0 HB3 ALA D 70 3.977 -7.302 7.248 1.00 0.00 H new ATOM 907 N ALA D 71 1.691 -8.922 5.669 1.00 0.00 N ATOM 908 CA ALA D 71 1.229 -8.735 4.315 1.00 0.00 C ATOM 909 C ALA D 71 -0.170 -9.249 4.052 1.00 0.00 C ATOM 910 O ALA D 71 -0.611 -9.256 2.919 1.00 0.00 O ATOM 911 CB ALA D 71 2.283 -9.251 3.348 1.00 0.00 C ATOM 0 H ALA D 71 2.257 -9.763 5.780 1.00 0.00 H new ATOM 0 HA ALA D 71 1.111 -7.665 4.145 1.00 0.00 H new ATOM 0 HB1 ALA D 71 1.937 -9.111 2.324 1.00 0.00 H new ATOM 0 HB2 ALA D 71 3.212 -8.701 3.495 1.00 0.00 H new ATOM 0 HB3 ALA D 71 2.456 -10.312 3.531 1.00 0.00 H new ATOM 917 N ALA D 72 -0.908 -9.561 5.111 1.00 0.00 N ATOM 918 CA ALA D 72 -2.348 -9.580 5.141 1.00 0.00 C ATOM 919 C ALA D 72 -2.806 -8.426 6.006 1.00 0.00 C ATOM 920 O ALA D 72 -3.495 -7.553 5.501 1.00 0.00 O ATOM 921 CB ALA D 72 -2.826 -10.915 5.653 1.00 0.00 C ATOM 0 H ALA D 72 -0.492 -9.817 6.006 1.00 0.00 H new ATOM 0 HA ALA D 72 -2.773 -9.457 4.145 1.00 0.00 H new ATOM 0 HB1 ALA D 72 -3.916 -10.927 5.675 1.00 0.00 H new ATOM 0 HB2 ALA D 72 -2.467 -11.707 4.995 1.00 0.00 H new ATOM 0 HB3 ALA D 72 -2.441 -11.078 6.660 1.00 0.00 H new ATOM 927 N ALA D 73 -2.400 -8.350 7.271 1.00 0.00 N ATOM 928 CA ALA D 73 -2.863 -7.406 8.254 1.00 0.00 C ATOM 929 C ALA D 73 -2.671 -5.959 7.855 1.00 0.00 C ATOM 930 O ALA D 73 -3.572 -5.164 8.072 1.00 0.00 O ATOM 931 CB ALA D 73 -2.180 -7.731 9.568 1.00 0.00 C ATOM 0 H ALA D 73 -1.698 -8.988 7.647 1.00 0.00 H new ATOM 0 HA ALA D 73 -3.944 -7.509 8.350 1.00 0.00 H new ATOM 0 HB1 ALA D 73 -2.512 -7.030 10.334 1.00 0.00 H new ATOM 0 HB2 ALA D 73 -2.436 -8.747 9.870 1.00 0.00 H new ATOM 0 HB3 ALA D 73 -1.100 -7.650 9.446 1.00 0.00 H new ATOM 937 N ALA D 74 -1.553 -5.590 7.241 1.00 0.00 N ATOM 938 CA ALA D 74 -1.219 -4.258 6.790 1.00 0.00 C ATOM 939 C ALA D 74 -2.155 -3.842 5.671 1.00 0.00 C ATOM 940 O ALA D 74 -2.661 -2.738 5.596 1.00 0.00 O ATOM 941 CB ALA D 74 0.233 -4.280 6.369 1.00 0.00 C ATOM 0 H ALA D 74 -0.813 -6.261 7.035 1.00 0.00 H new ATOM 0 HA ALA D 74 -1.345 -3.516 7.579 1.00 0.00 H new ATOM 0 HB1 ALA D 74 0.526 -3.290 6.021 1.00 0.00 H new ATOM 0 HB2 ALA D 74 0.854 -4.564 7.219 1.00 0.00 H new ATOM 0 HB3 ALA D 74 0.367 -5.002 5.564 1.00 0.00 H new ATOM 947 N ILE D 75 -2.397 -4.785 4.772 1.00 0.00 N ATOM 948 CA ILE D 75 -3.221 -4.649 3.593 1.00 0.00 C ATOM 949 C ILE D 75 -4.674 -4.479 3.997 1.00 0.00 C ATOM 950 O ILE D 75 -5.380 -3.641 3.454 1.00 0.00 O ATOM 951 CB ILE D 75 -3.059 -5.852 2.679 1.00 0.00 C ATOM 952 CG1 ILE D 75 -1.638 -6.262 2.355 1.00 0.00 C ATOM 953 CG2 ILE D 75 -3.832 -5.556 1.403 1.00 0.00 C ATOM 954 CD1 ILE D 75 -0.927 -5.359 1.364 1.00 0.00 C ATOM 0 H ILE D 75 -1.996 -5.719 4.857 1.00 0.00 H new ATOM 0 HA ILE D 75 -2.900 -3.764 3.043 1.00 0.00 H new ATOM 0 HB ILE D 75 -3.449 -6.713 3.222 1.00 0.00 H new ATOM 0 HG12 ILE D 75 -1.062 -6.288 3.280 1.00 0.00 H new ATOM 0 HG13 ILE D 75 -1.649 -7.277 1.958 1.00 0.00 H new ATOM 0 HG21 ILE D 75 -3.740 -6.399 0.718 1.00 0.00 H new ATOM 0 HG22 ILE D 75 -4.883 -5.396 1.643 1.00 0.00 H new ATOM 0 HG23 ILE D 75 -3.427 -4.660 0.932 1.00 0.00 H new ATOM 0 HD11 ILE D 75 0.083 -5.730 1.193 1.00 0.00 H new ATOM 0 HD12 ILE D 75 -1.475 -5.351 0.422 1.00 0.00 H new ATOM 0 HD13 ILE D 75 -0.879 -4.346 1.764 1.00 0.00 H new ATOM 966 N LYS D 76 -5.125 -5.256 4.975 1.00 0.00 N ATOM 967 CA LYS D 76 -6.481 -5.256 5.475 1.00 0.00 C ATOM 968 C LYS D 76 -6.873 -3.970 6.183 1.00 0.00 C ATOM 969 O LYS D 76 -8.015 -3.568 6.127 1.00 0.00 O ATOM 970 CB LYS D 76 -6.632 -6.474 6.372 1.00 0.00 C ATOM 971 CG LYS D 76 -6.789 -7.770 5.607 1.00 0.00 C ATOM 972 CD LYS D 76 -6.971 -8.936 6.548 1.00 0.00 C ATOM 973 CE LYS D 76 -7.151 -10.222 5.807 1.00 0.00 C ATOM 974 NZ LYS D 76 -7.388 -11.348 6.681 1.00 0.00 N ATOM 0 H LYS D 76 -4.526 -5.928 5.456 1.00 0.00 H new ATOM 0 HA LYS D 76 -7.170 -5.310 4.632 1.00 0.00 H new ATOM 0 HB2 LYS D 76 -5.760 -6.548 7.021 1.00 0.00 H new ATOM 0 HB3 LYS D 76 -7.499 -6.335 7.018 1.00 0.00 H new ATOM 0 HG2 LYS D 76 -7.647 -7.700 4.939 1.00 0.00 H new ATOM 0 HG3 LYS D 76 -5.911 -7.936 4.982 1.00 0.00 H new ATOM 0 HD2 LYS D 76 -6.104 -9.013 7.204 1.00 0.00 H new ATOM 0 HD3 LYS D 76 -7.838 -8.758 7.184 1.00 0.00 H new ATOM 0 HE2 LYS D 76 -7.988 -10.123 5.116 1.00 0.00 H new ATOM 0 HE3 LYS D 76 -6.263 -10.416 5.206 1.00 0.00 H new ATOM 0 HZ1 LYS D 76 -7.505 -12.211 6.112 1.00 0.00 H new ATOM 0 HZ2 LYS D 76 -6.579 -11.465 7.324 1.00 0.00 H new ATOM 0 HZ3 LYS D 76 -8.251 -11.180 7.237 1.00 0.00 H new ATOM 988 N ALA D 77 -5.907 -3.269 6.765 1.00 0.00 N ATOM 989 CA ALA D 77 -5.993 -1.863 7.081 1.00 0.00 C ATOM 990 C ALA D 77 -6.095 -1.035 5.815 1.00 0.00 C ATOM 991 O ALA D 77 -7.118 -0.398 5.597 1.00 0.00 O ATOM 992 CB ALA D 77 -4.829 -1.447 7.959 1.00 0.00 C ATOM 0 H ALA D 77 -5.016 -3.685 7.036 1.00 0.00 H new ATOM 0 HA ALA D 77 -6.904 -1.679 7.650 1.00 0.00 H new ATOM 0 HB1 ALA D 77 -4.908 -0.384 8.189 1.00 0.00 H new ATOM 0 HB2 ALA D 77 -4.849 -2.021 8.885 1.00 0.00 H new ATOM 0 HB3 ALA D 77 -3.892 -1.636 7.435 1.00 0.00 H new ATOM 998 N ILE D 78 -5.088 -1.070 4.943 1.00 0.00 N ATOM 999 CA ILE D 78 -4.939 -0.125 3.865 1.00 0.00 C ATOM 1000 C ILE D 78 -6.081 -0.169 2.870 1.00 0.00 C ATOM 1001 O ILE D 78 -6.643 0.858 2.515 1.00 0.00 O ATOM 1002 CB ILE D 78 -3.555 -0.173 3.243 1.00 0.00 C ATOM 1003 CG1 ILE D 78 -2.871 1.182 3.164 1.00 0.00 C ATOM 1004 CG2 ILE D 78 -3.475 -0.907 1.916 1.00 0.00 C ATOM 1005 CD1 ILE D 78 -3.468 2.259 2.291 1.00 0.00 C ATOM 0 H ILE D 78 -4.348 -1.771 4.976 1.00 0.00 H new ATOM 0 HA ILE D 78 -5.015 0.869 4.307 1.00 0.00 H new ATOM 0 HB ILE D 78 -2.992 -0.778 3.953 1.00 0.00 H new ATOM 0 HG12 ILE D 78 -2.810 1.578 4.178 1.00 0.00 H new ATOM 0 HG13 ILE D 78 -1.849 1.014 2.825 1.00 0.00 H new ATOM 0 HG21 ILE D 78 -2.448 -0.888 1.551 1.00 0.00 H new ATOM 0 HG22 ILE D 78 -3.793 -1.941 2.052 1.00 0.00 H new ATOM 0 HG23 ILE D 78 -4.127 -0.420 1.191 1.00 0.00 H new ATOM 0 HD11 ILE D 78 -2.855 3.158 2.352 1.00 0.00 H new ATOM 0 HD12 ILE D 78 -3.503 1.913 1.258 1.00 0.00 H new ATOM 0 HD13 ILE D 78 -4.478 2.485 2.632 1.00 0.00 H new ATOM 1017 N ALA D 79 -6.559 -1.349 2.483 1.00 0.00 N ATOM 1018 CA ALA D 79 -7.682 -1.440 1.579 1.00 0.00 C ATOM 1019 C ALA D 79 -8.989 -0.929 2.156 1.00 0.00 C ATOM 1020 O ALA D 79 -9.829 -0.419 1.447 1.00 0.00 O ATOM 1021 CB ALA D 79 -7.788 -2.877 1.096 1.00 0.00 C ATOM 0 H ALA D 79 -6.182 -2.247 2.785 1.00 0.00 H new ATOM 0 HA ALA D 79 -7.494 -0.773 0.738 1.00 0.00 H new ATOM 0 HB1 ALA D 79 -8.631 -2.969 0.411 1.00 0.00 H new ATOM 0 HB2 ALA D 79 -6.869 -3.156 0.581 1.00 0.00 H new ATOM 0 HB3 ALA D 79 -7.940 -3.537 1.950 1.00 0.00 H new ATOM 1027 N ALA D 80 -9.205 -1.038 3.461 1.00 0.00 N ATOM 1028 CA ALA D 80 -10.337 -0.474 4.159 1.00 0.00 C ATOM 1029 C ALA D 80 -10.238 1.029 4.335 1.00 0.00 C ATOM 1030 O ALA D 80 -11.224 1.738 4.287 1.00 0.00 O ATOM 1031 CB ALA D 80 -10.467 -1.128 5.521 1.00 0.00 C ATOM 0 H ALA D 80 -8.569 -1.542 4.079 1.00 0.00 H new ATOM 0 HA ALA D 80 -11.217 -0.669 3.547 1.00 0.00 H new ATOM 0 HB1 ALA D 80 -11.321 -0.703 6.049 1.00 0.00 H new ATOM 0 HB2 ALA D 80 -10.614 -2.201 5.397 1.00 0.00 H new ATOM 0 HB3 ALA D 80 -9.559 -0.951 6.098 1.00 0.00 H new ATOM 1037 N ILE D 81 -9.016 1.530 4.466 1.00 0.00 N ATOM 1038 CA ILE D 81 -8.653 2.928 4.527 1.00 0.00 C ATOM 1039 C ILE D 81 -8.821 3.558 3.159 1.00 0.00 C ATOM 1040 O ILE D 81 -9.375 4.640 3.057 1.00 0.00 O ATOM 1041 CB ILE D 81 -7.258 3.045 5.126 1.00 0.00 C ATOM 1042 CG1 ILE D 81 -7.238 2.663 6.596 1.00 0.00 C ATOM 1043 CG2 ILE D 81 -6.651 4.426 4.957 1.00 0.00 C ATOM 1044 CD1 ILE D 81 -5.881 2.348 7.186 1.00 0.00 C ATOM 0 H ILE D 81 -8.200 0.922 4.537 1.00 0.00 H new ATOM 0 HA ILE D 81 -9.314 3.493 5.184 1.00 0.00 H new ATOM 0 HB ILE D 81 -6.647 2.339 4.564 1.00 0.00 H new ATOM 0 HG12 ILE D 81 -7.679 3.479 7.168 1.00 0.00 H new ATOM 0 HG13 ILE D 81 -7.881 1.794 6.733 1.00 0.00 H new ATOM 0 HG21 ILE D 81 -5.657 4.444 5.405 1.00 0.00 H new ATOM 0 HG22 ILE D 81 -6.575 4.663 3.896 1.00 0.00 H new ATOM 0 HG23 ILE D 81 -7.284 5.164 5.449 1.00 0.00 H new ATOM 0 HD11 ILE D 81 -5.993 2.090 8.239 1.00 0.00 H new ATOM 0 HD12 ILE D 81 -5.438 1.508 6.651 1.00 0.00 H new ATOM 0 HD13 ILE D 81 -5.233 3.219 7.093 1.00 0.00 H new ATOM 1056 N ILE D 82 -8.429 2.905 2.064 1.00 0.00 N ATOM 1057 CA ILE D 82 -8.667 3.274 0.687 1.00 0.00 C ATOM 1058 C ILE D 82 -10.145 3.413 0.368 1.00 0.00 C ATOM 1059 O ILE D 82 -10.528 4.425 -0.207 1.00 0.00 O ATOM 1060 CB ILE D 82 -7.961 2.309 -0.258 1.00 0.00 C ATOM 1061 CG1 ILE D 82 -6.467 2.580 -0.161 1.00 0.00 C ATOM 1062 CG2 ILE D 82 -8.390 2.465 -1.708 1.00 0.00 C ATOM 1063 CD1 ILE D 82 -5.617 1.565 -0.904 1.00 0.00 C ATOM 0 H ILE D 82 -7.896 2.038 2.134 1.00 0.00 H new ATOM 0 HA ILE D 82 -8.238 4.264 0.535 1.00 0.00 H new ATOM 0 HB ILE D 82 -8.224 1.294 0.042 1.00 0.00 H new ATOM 0 HG12 ILE D 82 -6.260 3.574 -0.557 1.00 0.00 H new ATOM 0 HG13 ILE D 82 -6.175 2.587 0.889 1.00 0.00 H new ATOM 0 HG21 ILE D 82 -7.849 1.748 -2.326 1.00 0.00 H new ATOM 0 HG22 ILE D 82 -9.461 2.282 -1.792 1.00 0.00 H new ATOM 0 HG23 ILE D 82 -8.167 3.477 -2.046 1.00 0.00 H new ATOM 0 HD11 ILE D 82 -4.563 1.821 -0.791 1.00 0.00 H new ATOM 0 HD12 ILE D 82 -5.795 0.571 -0.493 1.00 0.00 H new ATOM 0 HD13 ILE D 82 -5.881 1.573 -1.961 1.00 0.00 H new ATOM 1075 N LYS D 83 -10.962 2.467 0.810 1.00 0.00 N ATOM 1076 CA LYS D 83 -12.400 2.503 0.709 1.00 0.00 C ATOM 1077 C LYS D 83 -13.021 3.710 1.386 1.00 0.00 C ATOM 1078 O LYS D 83 -14.065 4.180 0.972 1.00 0.00 O ATOM 1079 CB LYS D 83 -12.887 1.149 1.193 1.00 0.00 C ATOM 1080 CG LYS D 83 -14.355 1.045 1.523 1.00 0.00 C ATOM 1081 CD LYS D 83 -15.261 1.251 0.330 1.00 0.00 C ATOM 1082 CE LYS D 83 -16.513 1.833 0.811 1.00 0.00 C ATOM 1083 NZ LYS D 83 -17.432 2.122 -0.228 1.00 0.00 N ATOM 0 H LYS D 83 -10.619 1.622 1.266 1.00 0.00 H new ATOM 0 HA LYS D 83 -12.729 2.652 -0.319 1.00 0.00 H new ATOM 0 HB2 LYS D 83 -12.655 0.409 0.427 1.00 0.00 H new ATOM 0 HB3 LYS D 83 -12.317 0.878 2.081 1.00 0.00 H new ATOM 0 HG2 LYS D 83 -14.553 0.063 1.954 1.00 0.00 H new ATOM 0 HG3 LYS D 83 -14.600 1.783 2.286 1.00 0.00 H new ATOM 0 HD2 LYS D 83 -14.789 1.910 -0.398 1.00 0.00 H new ATOM 0 HD3 LYS D 83 -15.450 0.303 -0.174 1.00 0.00 H new ATOM 0 HE2 LYS D 83 -16.978 1.145 1.517 1.00 0.00 H new ATOM 0 HE3 LYS D 83 -16.293 2.750 1.358 1.00 0.00 H new ATOM 0 HZ1 LYS D 83 -18.297 2.532 0.178 1.00 0.00 H new ATOM 0 HZ2 LYS D 83 -17.005 2.801 -0.890 1.00 0.00 H new ATOM 0 HZ3 LYS D 83 -17.669 1.246 -0.736 1.00 0.00 H new ATOM 1097 N ALA D 84 -12.365 4.290 2.381 1.00 0.00 N ATOM 1098 CA ALA D 84 -12.747 5.561 2.935 1.00 0.00 C ATOM 1099 C ALA D 84 -12.141 6.744 2.230 1.00 0.00 C ATOM 1100 O ALA D 84 -12.805 7.701 2.001 1.00 0.00 O ATOM 1101 CB ALA D 84 -12.428 5.579 4.406 1.00 0.00 C ATOM 0 H ALA D 84 -11.544 3.878 2.825 1.00 0.00 H new ATOM 0 HA ALA D 84 -13.821 5.665 2.784 1.00 0.00 H new ATOM 0 HB1 ALA D 84 -12.716 6.541 4.829 1.00 0.00 H new ATOM 0 HB2 ALA D 84 -12.978 4.783 4.907 1.00 0.00 H new ATOM 0 HB3 ALA D 84 -11.358 5.426 4.548 1.00 0.00 H new ATOM 1107 N GLY D 85 -10.869 6.704 1.925 1.00 0.00 N ATOM 1108 CA GLY D 85 -10.035 7.798 1.514 1.00 0.00 C ATOM 1109 C GLY D 85 -10.005 8.143 0.069 1.00 0.00 C ATOM 1110 O GLY D 85 -9.734 9.223 -0.183 1.00 0.00 O ATOM 0 H GLY D 85 -10.348 5.828 1.962 1.00 0.00 H new ATOM 0 HA2 GLY D 85 -10.351 8.685 2.063 1.00 0.00 H new ATOM 0 HA3 GLY D 85 -9.014 7.577 1.827 1.00 0.00 H new ATOM 1114 N GLY D 86 -10.246 7.287 -0.877 1.00 0.00 N ATOM 1115 CA GLY D 86 -10.247 7.646 -2.269 1.00 0.00 C ATOM 1116 C GLY D 86 -8.872 8.003 -2.778 1.00 0.00 C ATOM 1117 O GLY D 86 -8.639 9.133 -3.117 1.00 0.00 O ATOM 0 H GLY D 86 -10.451 6.303 -0.704 1.00 0.00 H new ATOM 0 HA2 GLY D 86 -10.643 6.816 -2.854 1.00 0.00 H new ATOM 0 HA3 GLY D 86 -10.918 8.492 -2.422 1.00 0.00 H new ATOM 1121 N PHE D 87 -7.913 7.104 -2.763 1.00 0.00 N ATOM 1122 CA PHE D 87 -6.504 7.301 -3.006 1.00 0.00 C ATOM 1123 C PHE D 87 -6.164 7.467 -4.472 1.00 0.00 C ATOM 1124 O PHE D 87 -5.439 8.326 -4.819 1.00 0.00 O ATOM 1125 CB PHE D 87 -5.747 6.115 -2.433 1.00 0.00 C ATOM 1126 CG PHE D 87 -5.507 6.139 -0.946 1.00 0.00 C ATOM 1127 CD1 PHE D 87 -6.624 6.041 -0.110 1.00 0.00 C ATOM 1128 CD2 PHE D 87 -4.224 6.180 -0.412 1.00 0.00 C ATOM 1129 CE1 PHE D 87 -6.446 5.889 1.267 1.00 0.00 C ATOM 1130 CE2 PHE D 87 -4.044 6.022 0.964 1.00 0.00 C ATOM 1131 CZ PHE D 87 -5.157 5.911 1.795 1.00 0.00 C ATOM 0 H PHE D 87 -8.121 6.126 -2.561 1.00 0.00 H new ATOM 0 HA PHE D 87 -6.212 8.231 -2.519 1.00 0.00 H new ATOM 0 HB2 PHE D 87 -6.297 5.206 -2.677 1.00 0.00 H new ATOM 0 HB3 PHE D 87 -4.782 6.048 -2.935 1.00 0.00 H new ATOM 0 HD1 PHE D 87 -7.619 6.083 -0.527 1.00 0.00 H new ATOM 0 HD2 PHE D 87 -3.372 6.333 -1.057 1.00 0.00 H new ATOM 0 HE1 PHE D 87 -7.299 5.756 1.916 1.00 0.00 H new ATOM 0 HE2 PHE D 87 -3.049 5.986 1.381 1.00 0.00 H new ATOM 0 HZ PHE D 87 -5.018 5.841 2.864 1.00 0.00 H new HETATM 1141 N NH2 D 88 -6.655 6.654 -5.365 1.00 0.00 N TER 1144 NH2 D 88