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+ 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+ -168:sc=-0.00633 (180deg=-0.147) 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 1.952 15.743 -1.994 1.00 0.00 C HETATM 2 O ACE A 1 1.214 16.535 -2.538 1.00 0.00 O HETATM 3 CH3 ACE A 1 3.360 16.142 -1.656 1.00 0.00 C HETATM 0 H1 ACE A 1 3.512 16.064 -0.579 1.00 0.00 H new HETATM 0 H2 ACE A 1 4.059 15.482 -2.170 1.00 0.00 H new HETATM 0 H3 ACE A 1 3.533 17.170 -1.973 1.00 0.00 H new ATOM 7 N ALA A 2 1.636 14.475 -1.794 1.00 0.00 N ATOM 8 CA ALA A 2 0.527 13.752 -2.350 1.00 0.00 C ATOM 9 C ALA A 2 0.378 13.767 -3.851 1.00 0.00 C ATOM 10 O ALA A 2 -0.484 13.098 -4.380 1.00 0.00 O ATOM 11 CB ALA A 2 -0.754 14.120 -1.633 1.00 0.00 C ATOM 0 H ALA A 2 2.202 13.884 -1.186 1.00 0.00 H new ATOM 0 HA ALA A 2 0.766 12.705 -2.164 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -1.586 13.564 -2.066 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -0.663 13.872 -0.575 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -0.937 15.189 -1.741 1.00 0.00 H new ATOM 17 N LYS A 3 1.296 14.384 -4.587 1.00 0.00 N ATOM 18 CA LYS A 3 1.404 14.371 -6.016 1.00 0.00 C ATOM 19 C LYS A 3 1.561 12.963 -6.555 1.00 0.00 C ATOM 20 O LYS A 3 1.042 12.641 -7.599 1.00 0.00 O ATOM 21 CB LYS A 3 2.571 15.236 -6.444 1.00 0.00 C ATOM 22 CG LYS A 3 2.555 16.693 -6.070 1.00 0.00 C ATOM 23 CD LYS A 3 1.464 17.451 -6.632 1.00 0.00 C ATOM 24 CE LYS A 3 1.587 18.903 -6.400 1.00 0.00 C ATOM 25 NZ LYS A 3 0.807 19.690 -7.112 1.00 0.00 N ATOM 0 H LYS A 3 2.031 14.943 -4.155 1.00 0.00 H new ATOM 0 HA LYS A 3 0.480 14.774 -6.431 1.00 0.00 H new ATOM 0 HB2 LYS A 3 3.479 14.797 -6.031 1.00 0.00 H new ATOM 0 HB3 LYS A 3 2.651 15.172 -7.529 1.00 0.00 H new ATOM 0 HG2 LYS A 3 2.513 16.774 -4.984 1.00 0.00 H new ATOM 0 HG3 LYS A 3 3.494 17.145 -6.388 1.00 0.00 H new ATOM 0 HD2 LYS A 3 1.414 17.264 -7.705 1.00 0.00 H new ATOM 0 HD3 LYS A 3 0.526 17.099 -6.203 1.00 0.00 H new ATOM 0 HE2 LYS A 3 1.391 19.095 -5.345 1.00 0.00 H new ATOM 0 HE3 LYS A 3 2.621 19.190 -6.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 0.989 20.682 -6.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 1.004 19.551 -8.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -0.188 19.460 -6.918 1.00 0.00 H new ATOM 39 N ALA A 4 2.213 12.098 -5.793 1.00 0.00 N ATOM 40 CA ALA A 4 2.482 10.705 -6.059 1.00 0.00 C ATOM 41 C ALA A 4 1.358 9.763 -5.667 1.00 0.00 C ATOM 42 O ALA A 4 1.405 8.572 -5.947 1.00 0.00 O ATOM 43 CB ALA A 4 3.730 10.391 -5.254 1.00 0.00 C ATOM 0 H ALA A 4 2.599 12.386 -4.894 1.00 0.00 H new ATOM 0 HA ALA A 4 2.597 10.553 -7.132 1.00 0.00 H new ATOM 0 HB1 ALA A 4 4.004 9.346 -5.401 1.00 0.00 H new ATOM 0 HB2 ALA A 4 4.548 11.031 -5.586 1.00 0.00 H new ATOM 0 HB3 ALA A 4 3.535 10.570 -4.197 1.00 0.00 H new ATOM 49 N ALA A 5 0.361 10.258 -4.938 1.00 0.00 N ATOM 50 CA ALA A 5 -0.581 9.409 -4.247 1.00 0.00 C ATOM 51 C ALA A 5 -1.399 8.534 -5.179 1.00 0.00 C ATOM 52 O ALA A 5 -1.338 7.323 -5.026 1.00 0.00 O ATOM 53 CB ALA A 5 -1.415 10.232 -3.285 1.00 0.00 C ATOM 0 H ALA A 5 0.191 11.256 -4.815 1.00 0.00 H new ATOM 0 HA ALA A 5 -0.015 8.691 -3.654 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -2.122 9.583 -2.769 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -0.762 10.710 -2.555 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -1.961 10.996 -3.839 1.00 0.00 H new ATOM 59 N ALA A 6 -2.092 9.107 -6.154 1.00 0.00 N ATOM 60 CA ALA A 6 -2.858 8.379 -7.128 1.00 0.00 C ATOM 61 C ALA A 6 -2.104 7.244 -7.780 1.00 0.00 C ATOM 62 O ALA A 6 -2.582 6.124 -7.822 1.00 0.00 O ATOM 63 CB ALA A 6 -3.453 9.346 -8.126 1.00 0.00 C ATOM 0 H ALA A 6 -2.131 10.118 -6.283 1.00 0.00 H new ATOM 0 HA ALA A 6 -3.670 7.877 -6.602 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -4.034 8.794 -8.865 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -4.102 10.051 -7.607 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -2.652 9.891 -8.627 1.00 0.00 H new ATOM 69 N ALA A 7 -0.857 7.466 -8.149 1.00 0.00 N ATOM 70 CA ALA A 7 0.050 6.475 -8.667 1.00 0.00 C ATOM 71 C ALA A 7 0.365 5.339 -7.716 1.00 0.00 C ATOM 72 O ALA A 7 0.484 4.233 -8.191 1.00 0.00 O ATOM 73 CB ALA A 7 1.291 7.179 -9.187 1.00 0.00 C ATOM 0 H ALA A 7 -0.433 8.392 -8.090 1.00 0.00 H new ATOM 0 HA ALA A 7 -0.453 5.964 -9.488 1.00 0.00 H new ATOM 0 HB1 ALA A 7 1.989 6.441 -9.583 1.00 0.00 H new ATOM 0 HB2 ALA A 7 1.010 7.874 -9.978 1.00 0.00 H new ATOM 0 HB3 ALA A 7 1.766 7.727 -8.374 1.00 0.00 H new ATOM 79 N ALA A 8 0.404 5.562 -6.415 1.00 0.00 N ATOM 80 CA ALA A 8 0.586 4.514 -5.445 1.00 0.00 C ATOM 81 C ALA A 8 -0.691 3.743 -5.199 1.00 0.00 C ATOM 82 O ALA A 8 -0.684 2.528 -5.152 1.00 0.00 O ATOM 83 CB ALA A 8 1.057 5.176 -4.167 1.00 0.00 C ATOM 0 H ALA A 8 0.308 6.490 -6.004 1.00 0.00 H new ATOM 0 HA ALA A 8 1.314 3.791 -5.812 1.00 0.00 H new ATOM 0 HB1 ALA A 8 1.209 4.418 -3.399 1.00 0.00 H new ATOM 0 HB2 ALA A 8 1.996 5.698 -4.352 1.00 0.00 H new ATOM 0 HB3 ALA A 8 0.306 5.889 -3.829 1.00 0.00 H new ATOM 89 N ILE A 9 -1.823 4.434 -5.132 1.00 0.00 N ATOM 90 CA ILE A 9 -3.104 3.793 -4.954 1.00 0.00 C ATOM 91 C ILE A 9 -3.459 2.915 -6.140 1.00 0.00 C ATOM 92 O ILE A 9 -3.830 1.763 -5.973 1.00 0.00 O ATOM 93 CB ILE A 9 -4.232 4.770 -4.672 1.00 0.00 C ATOM 94 CG1 ILE A 9 -3.975 5.931 -3.722 1.00 0.00 C ATOM 95 CG2 ILE A 9 -5.403 3.951 -4.187 1.00 0.00 C ATOM 96 CD1 ILE A 9 -3.320 5.582 -2.399 1.00 0.00 C ATOM 0 H ILE A 9 -1.870 5.451 -5.200 1.00 0.00 H new ATOM 0 HA ILE A 9 -2.994 3.167 -4.069 1.00 0.00 H new ATOM 0 HB ILE A 9 -4.400 5.294 -5.613 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -3.346 6.660 -4.234 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -4.926 6.421 -3.515 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -6.243 4.611 -3.970 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -5.692 3.237 -4.958 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -5.121 3.413 -3.282 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -3.188 6.488 -1.808 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -3.953 4.882 -1.853 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -2.348 5.125 -2.584 1.00 0.00 H new ATOM 108 N LYS A 10 -3.364 3.486 -7.336 1.00 0.00 N ATOM 109 CA LYS A 10 -3.865 2.872 -8.546 1.00 0.00 C ATOM 110 C LYS A 10 -3.007 1.728 -9.048 1.00 0.00 C ATOM 111 O LYS A 10 -3.504 0.875 -9.764 1.00 0.00 O ATOM 112 CB LYS A 10 -4.048 3.952 -9.600 1.00 0.00 C ATOM 113 CG LYS A 10 -5.183 4.912 -9.280 1.00 0.00 C ATOM 114 CD LYS A 10 -5.506 5.819 -10.430 1.00 0.00 C ATOM 115 CE LYS A 10 -6.581 6.801 -10.083 1.00 0.00 C ATOM 116 NZ LYS A 10 -6.962 7.668 -11.129 1.00 0.00 N ATOM 0 H LYS A 10 -2.931 4.397 -7.487 1.00 0.00 H new ATOM 0 HA LYS A 10 -4.826 2.411 -8.318 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -3.120 4.516 -9.699 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -4.239 3.481 -10.564 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -6.072 4.342 -9.010 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -4.913 5.513 -8.412 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -4.607 6.357 -10.732 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -5.822 5.222 -11.285 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -7.461 6.250 -9.750 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -6.243 7.402 -9.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -7.709 8.309 -10.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -6.139 8.226 -11.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -7.319 7.109 -11.930 1.00 0.00 H new ATOM 130 N ALA A 11 -1.764 1.636 -8.599 1.00 0.00 N ATOM 131 CA ALA A 11 -1.115 0.357 -8.447 1.00 0.00 C ATOM 132 C ALA A 11 -1.803 -0.497 -7.399 1.00 0.00 C ATOM 133 O ALA A 11 -2.558 -1.403 -7.731 1.00 0.00 O ATOM 134 CB ALA A 11 0.365 0.585 -8.193 1.00 0.00 C ATOM 0 H ALA A 11 -1.190 2.437 -8.335 1.00 0.00 H new ATOM 0 HA ALA A 11 -1.202 -0.222 -9.366 1.00 0.00 H new ATOM 0 HB1 ALA A 11 0.866 -0.376 -8.076 1.00 0.00 H new ATOM 0 HB2 ALA A 11 0.800 1.122 -9.036 1.00 0.00 H new ATOM 0 HB3 ALA A 11 0.492 1.173 -7.284 1.00 0.00 H new ATOM 140 N ILE A 12 -1.599 -0.236 -6.114 1.00 0.00 N ATOM 141 CA ILE A 12 -1.778 -1.199 -5.051 1.00 0.00 C ATOM 142 C ILE A 12 -3.217 -1.650 -4.906 1.00 0.00 C ATOM 143 O ILE A 12 -3.422 -2.853 -4.798 1.00 0.00 O ATOM 144 CB ILE A 12 -1.135 -0.695 -3.770 1.00 0.00 C ATOM 145 CG1 ILE A 12 -0.316 -1.720 -3.005 1.00 0.00 C ATOM 146 CG2 ILE A 12 -2.068 0.104 -2.890 1.00 0.00 C ATOM 147 CD1 ILE A 12 -1.042 -2.861 -2.381 1.00 0.00 C ATOM 0 H ILE A 12 -1.296 0.679 -5.780 1.00 0.00 H new ATOM 0 HA ILE A 12 -1.251 -2.115 -5.317 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.390 0.015 -4.131 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.430 -2.130 -3.686 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.226 -1.196 -2.217 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -1.536 0.428 -1.996 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -2.425 0.977 -3.436 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -2.917 -0.516 -2.602 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.330 -3.509 -1.870 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.768 -2.481 -1.662 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.560 -3.429 -3.154 1.00 0.00 H new ATOM 159 N ALA A 13 -4.233 -0.797 -5.051 1.00 0.00 N ATOM 160 CA ALA A 13 -5.602 -1.235 -4.891 1.00 0.00 C ATOM 161 C ALA A 13 -6.078 -2.074 -6.062 1.00 0.00 C ATOM 162 O ALA A 13 -6.851 -3.003 -5.894 1.00 0.00 O ATOM 163 CB ALA A 13 -6.475 0.002 -4.758 1.00 0.00 C ATOM 0 H ALA A 13 -4.125 0.192 -5.277 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.667 -1.864 -4.003 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -7.516 -0.298 -4.636 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -6.159 0.578 -3.888 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -6.377 0.614 -5.654 1.00 0.00 H new ATOM 169 N ALA A 14 -5.584 -1.794 -7.263 1.00 0.00 N ATOM 170 CA ALA A 14 -5.841 -2.566 -8.456 1.00 0.00 C ATOM 171 C ALA A 14 -5.107 -3.895 -8.461 1.00 0.00 C ATOM 172 O ALA A 14 -5.602 -4.895 -8.951 1.00 0.00 O ATOM 173 CB ALA A 14 -5.507 -1.747 -9.683 1.00 0.00 C ATOM 0 H ALA A 14 -4.974 -0.994 -7.430 1.00 0.00 H new ATOM 0 HA ALA A 14 -6.904 -2.808 -8.470 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -5.704 -2.336 -10.579 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -6.122 -0.847 -9.698 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -4.454 -1.466 -9.657 1.00 0.00 H new ATOM 179 N ILE A 15 -3.909 -3.920 -7.884 1.00 0.00 N ATOM 180 CA ILE A 15 -3.104 -5.105 -7.693 1.00 0.00 C ATOM 181 C ILE A 15 -3.745 -5.969 -6.623 1.00 0.00 C ATOM 182 O ILE A 15 -3.812 -7.172 -6.822 1.00 0.00 O ATOM 183 CB ILE A 15 -1.672 -4.686 -7.403 1.00 0.00 C ATOM 184 CG1 ILE A 15 -0.990 -4.030 -8.587 1.00 0.00 C ATOM 185 CG2 ILE A 15 -0.846 -5.887 -6.994 1.00 0.00 C ATOM 186 CD1 ILE A 15 0.263 -3.239 -8.254 1.00 0.00 C ATOM 0 H ILE A 15 -3.461 -3.077 -7.525 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.060 -5.723 -8.590 1.00 0.00 H new ATOM 0 HB ILE A 15 -1.733 -3.955 -6.597 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.731 -4.803 -9.311 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -1.703 -3.364 -9.073 1.00 0.00 H new ATOM 0 HG21 ILE A 15 0.177 -5.572 -6.789 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -1.274 -6.335 -6.097 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -0.846 -6.620 -7.801 1.00 0.00 H new ATOM 0 HD11 ILE A 15 0.676 -2.810 -9.167 1.00 0.00 H new ATOM 0 HD12 ILE A 15 0.014 -2.439 -7.557 1.00 0.00 H new ATOM 0 HD13 ILE A 15 1.000 -3.900 -7.799 1.00 0.00 H new ATOM 198 N ILE A 16 -4.275 -5.429 -5.529 1.00 0.00 N ATOM 199 CA ILE A 16 -5.116 -6.087 -4.559 1.00 0.00 C ATOM 200 C ILE A 16 -6.333 -6.745 -5.182 1.00 0.00 C ATOM 201 O ILE A 16 -6.592 -7.897 -4.873 1.00 0.00 O ATOM 202 CB ILE A 16 -5.471 -5.160 -3.405 1.00 0.00 C ATOM 203 CG1 ILE A 16 -4.221 -5.026 -2.550 1.00 0.00 C ATOM 204 CG2 ILE A 16 -6.619 -5.635 -2.530 1.00 0.00 C ATOM 205 CD1 ILE A 16 -4.401 -4.116 -1.347 1.00 0.00 C ATOM 0 H ILE A 16 -4.111 -4.451 -5.289 1.00 0.00 H new ATOM 0 HA ILE A 16 -4.530 -6.904 -4.138 1.00 0.00 H new ATOM 0 HB ILE A 16 -5.810 -4.217 -3.835 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -3.919 -6.015 -2.205 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -3.409 -4.642 -3.167 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -6.797 -4.909 -1.737 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -7.519 -5.738 -3.136 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -6.366 -6.599 -2.089 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -3.469 -4.068 -0.784 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -4.672 -3.116 -1.685 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -5.191 -4.510 -0.708 1.00 0.00 H new ATOM 217 N LYS A 17 -7.065 -6.032 -6.030 1.00 0.00 N ATOM 218 CA LYS A 17 -8.191 -6.537 -6.781 1.00 0.00 C ATOM 219 C LYS A 17 -7.839 -7.731 -7.641 1.00 0.00 C ATOM 220 O LYS A 17 -8.672 -8.579 -7.843 1.00 0.00 O ATOM 221 CB LYS A 17 -8.781 -5.359 -7.525 1.00 0.00 C ATOM 222 CG LYS A 17 -9.840 -5.664 -8.565 1.00 0.00 C ATOM 223 CD LYS A 17 -11.142 -6.211 -8.036 1.00 0.00 C ATOM 224 CE LYS A 17 -11.964 -5.182 -7.367 1.00 0.00 C ATOM 225 NZ LYS A 17 -13.252 -5.679 -6.959 1.00 0.00 N ATOM 0 H LYS A 17 -6.876 -5.047 -6.215 1.00 0.00 H new ATOM 0 HA LYS A 17 -8.952 -6.952 -6.120 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -9.212 -4.677 -6.792 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -7.967 -4.826 -8.016 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -10.051 -4.750 -9.120 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -9.429 -6.381 -9.276 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -11.710 -6.645 -8.859 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -10.933 -7.017 -7.333 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -11.430 -4.808 -6.493 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -12.102 -4.338 -8.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -13.787 -4.917 -6.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -13.776 -6.012 -7.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -13.125 -6.467 -6.293 1.00 0.00 H new ATOM 239 N ALA A 18 -6.622 -7.853 -8.127 1.00 0.00 N ATOM 240 CA ALA A 18 -6.103 -9.009 -8.810 1.00 0.00 C ATOM 241 C ALA A 18 -5.586 -10.098 -7.902 1.00 0.00 C ATOM 242 O ALA A 18 -5.865 -11.258 -8.166 1.00 0.00 O ATOM 243 CB ALA A 18 -5.068 -8.570 -9.795 1.00 0.00 C ATOM 0 H ALA A 18 -5.934 -7.104 -8.049 1.00 0.00 H new ATOM 0 HA ALA A 18 -6.941 -9.475 -9.328 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -4.670 -9.440 -10.317 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -5.519 -7.889 -10.517 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -4.260 -8.060 -9.271 1.00 0.00 H new ATOM 249 N GLY A 19 -4.871 -9.770 -6.832 1.00 0.00 N ATOM 250 CA GLY A 19 -4.219 -10.694 -5.931 1.00 0.00 C ATOM 251 C GLY A 19 -5.175 -11.484 -5.063 1.00 0.00 C ATOM 252 O GLY A 19 -5.007 -12.666 -4.902 1.00 0.00 O ATOM 0 H GLY A 19 -4.727 -8.797 -6.561 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -3.615 -11.389 -6.514 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -3.536 -10.138 -5.289 1.00 0.00 H new ATOM 256 N GLY A 20 -6.154 -10.825 -4.467 1.00 0.00 N ATOM 257 CA GLY A 20 -7.131 -11.387 -3.570 1.00 0.00 C ATOM 258 C GLY A 20 -6.783 -11.261 -2.109 1.00 0.00 C ATOM 259 O GLY A 20 -7.244 -12.082 -1.343 1.00 0.00 O ATOM 0 H GLY A 20 -6.290 -9.824 -4.610 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -8.090 -10.899 -3.746 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -7.261 -12.442 -3.810 1.00 0.00 H new ATOM 263 N PHE A 21 -6.000 -10.271 -1.722 1.00 0.00 N ATOM 264 CA PHE A 21 -5.560 -9.998 -0.379 1.00 0.00 C ATOM 265 C PHE A 21 -6.665 -9.598 0.552 1.00 0.00 C ATOM 266 O PHE A 21 -7.752 -9.352 0.182 1.00 0.00 O ATOM 267 CB PHE A 21 -4.538 -8.887 -0.389 1.00 0.00 C ATOM 268 CG PHE A 21 -3.362 -8.958 -1.324 1.00 0.00 C ATOM 269 CD1 PHE A 21 -3.525 -8.582 -2.648 1.00 0.00 C ATOM 270 CD2 PHE A 21 -2.074 -9.079 -0.804 1.00 0.00 C ATOM 271 CE1 PHE A 21 -2.428 -8.139 -3.389 1.00 0.00 C ATOM 272 CE2 PHE A 21 -0.955 -8.715 -1.552 1.00 0.00 C ATOM 273 CZ PHE A 21 -1.155 -8.188 -2.823 1.00 0.00 C ATOM 0 H PHE A 21 -5.633 -9.593 -2.390 1.00 0.00 H new ATOM 0 HA PHE A 21 -5.139 -10.934 -0.012 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -5.069 -7.960 -0.605 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -4.143 -8.800 0.623 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -4.501 -8.632 -3.107 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -1.941 -9.462 0.197 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -2.564 -7.762 -4.392 1.00 0.00 H new ATOM 0 HE2 PHE A 21 0.041 -8.839 -1.154 1.00 0.00 H new ATOM 0 HZ PHE A 21 -0.311 -7.811 -3.381 1.00 0.00 H new HETATM 283 N NH2 A 22 -6.395 -9.421 1.822 1.00 0.00 N TER 286 NH2 A 22 HETATM 287 C ACE B 23 -2.416 -13.116 -1.741 1.00 0.00 C HETATM 288 O ACE B 23 -2.083 -12.449 -2.694 1.00 0.00 O HETATM 289 CH3 ACE B 23 -3.671 -13.956 -1.799 1.00 0.00 C HETATM 0 H1 ACE B 23 -3.414 -15.004 -1.647 1.00 0.00 H new HETATM 0 H2 ACE B 23 -4.361 -13.634 -1.019 1.00 0.00 H new HETATM 0 H3 ACE B 23 -4.144 -13.836 -2.773 1.00 0.00 H new ATOM 293 N ALA B 24 -1.661 -13.253 -0.661 1.00 0.00 N ATOM 294 CA ALA B 24 -0.314 -12.763 -0.527 1.00 0.00 C ATOM 295 C ALA B 24 0.693 -13.428 -1.440 1.00 0.00 C ATOM 296 O ALA B 24 1.830 -13.003 -1.455 1.00 0.00 O ATOM 297 CB ALA B 24 0.057 -12.953 0.925 1.00 0.00 C ATOM 0 H ALA B 24 -1.993 -13.731 0.177 1.00 0.00 H new ATOM 0 HA ALA B 24 -0.286 -11.717 -0.833 1.00 0.00 H new ATOM 0 HB1 ALA B 24 1.074 -12.598 1.090 1.00 0.00 H new ATOM 0 HB2 ALA B 24 -0.631 -12.388 1.553 1.00 0.00 H new ATOM 0 HB3 ALA B 24 -0.004 -14.011 1.181 1.00 0.00 H new ATOM 303 N LYS B 25 0.296 -14.358 -2.297 1.00 0.00 N ATOM 304 CA LYS B 25 1.029 -14.746 -3.476 1.00 0.00 C ATOM 305 C LYS B 25 1.463 -13.551 -4.298 1.00 0.00 C ATOM 306 O LYS B 25 2.536 -13.553 -4.868 1.00 0.00 O ATOM 307 CB LYS B 25 0.174 -15.672 -4.315 1.00 0.00 C ATOM 308 CG LYS B 25 -0.234 -16.939 -3.665 1.00 0.00 C ATOM 309 CD LYS B 25 -0.942 -17.830 -4.633 1.00 0.00 C ATOM 310 CE LYS B 25 -1.464 -19.039 -3.980 1.00 0.00 C ATOM 311 NZ LYS B 25 -2.279 -19.806 -4.732 1.00 0.00 N ATOM 0 H LYS B 25 -0.575 -14.875 -2.180 1.00 0.00 H new ATOM 0 HA LYS B 25 1.935 -15.261 -3.155 1.00 0.00 H new ATOM 0 HB2 LYS B 25 -0.725 -15.134 -4.615 1.00 0.00 H new ATOM 0 HB3 LYS B 25 0.720 -15.913 -5.227 1.00 0.00 H new ATOM 0 HG2 LYS B 25 0.644 -17.449 -3.270 1.00 0.00 H new ATOM 0 HG3 LYS B 25 -0.886 -16.725 -2.818 1.00 0.00 H new ATOM 0 HD2 LYS B 25 -1.763 -17.284 -5.096 1.00 0.00 H new ATOM 0 HD3 LYS B 25 -0.258 -18.115 -5.432 1.00 0.00 H new ATOM 0 HE2 LYS B 25 -0.620 -19.648 -3.656 1.00 0.00 H new ATOM 0 HE3 LYS B 25 -2.004 -18.740 -3.082 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 -2.589 -20.630 -4.178 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 -3.109 -19.250 -5.021 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 -1.768 -20.130 -5.578 1.00 0.00 H new ATOM 325 N ALA B 26 0.628 -12.524 -4.353 1.00 0.00 N ATOM 326 CA ALA B 26 0.816 -11.291 -5.075 1.00 0.00 C ATOM 327 C ALA B 26 1.565 -10.213 -4.326 1.00 0.00 C ATOM 328 O ALA B 26 1.731 -9.117 -4.825 1.00 0.00 O ATOM 329 CB ALA B 26 -0.583 -10.779 -5.350 1.00 0.00 C ATOM 0 H ALA B 26 -0.262 -12.540 -3.855 1.00 0.00 H new ATOM 0 HA ALA B 26 1.420 -11.503 -5.957 1.00 0.00 H new ATOM 0 HB1 ALA B 26 -0.525 -9.839 -5.899 1.00 0.00 H new ATOM 0 HB2 ALA B 26 -1.129 -11.513 -5.943 1.00 0.00 H new ATOM 0 HB3 ALA B 26 -1.103 -10.616 -4.406 1.00 0.00 H new ATOM 335 N ALA B 27 1.964 -10.456 -3.082 1.00 0.00 N ATOM 336 CA ALA B 27 2.515 -9.429 -2.231 1.00 0.00 C ATOM 337 C ALA B 27 3.773 -8.765 -2.746 1.00 0.00 C ATOM 338 O ALA B 27 3.774 -7.556 -2.894 1.00 0.00 O ATOM 339 CB ALA B 27 2.624 -9.960 -0.816 1.00 0.00 C ATOM 0 H ALA B 27 1.911 -11.375 -2.643 1.00 0.00 H new ATOM 0 HA ALA B 27 1.815 -8.593 -2.236 1.00 0.00 H new ATOM 0 HB1 ALA B 27 3.040 -9.188 -0.169 1.00 0.00 H new ATOM 0 HB2 ALA B 27 1.634 -10.241 -0.456 1.00 0.00 H new ATOM 0 HB3 ALA B 27 3.276 -10.833 -0.804 1.00 0.00 H new ATOM 345 N ALA B 28 4.812 -9.510 -3.086 1.00 0.00 N ATOM 346 CA ALA B 28 6.032 -8.921 -3.577 1.00 0.00 C ATOM 347 C ALA B 28 5.784 -8.032 -4.778 1.00 0.00 C ATOM 348 O ALA B 28 6.247 -6.903 -4.815 1.00 0.00 O ATOM 349 CB ALA B 28 7.060 -10.012 -3.820 1.00 0.00 C ATOM 0 H ALA B 28 4.828 -10.528 -3.028 1.00 0.00 H new ATOM 0 HA ALA B 28 6.444 -8.253 -2.820 1.00 0.00 H new ATOM 0 HB1 ALA B 28 7.983 -9.566 -4.191 1.00 0.00 H new ATOM 0 HB2 ALA B 28 7.261 -10.537 -2.886 1.00 0.00 H new ATOM 0 HB3 ALA B 28 6.675 -10.717 -4.557 1.00 0.00 H new ATOM 355 N ALA B 29 4.936 -8.464 -5.695 1.00 0.00 N ATOM 356 CA ALA B 29 4.505 -7.709 -6.847 1.00 0.00 C ATOM 357 C ALA B 29 3.762 -6.447 -6.473 1.00 0.00 C ATOM 358 O ALA B 29 3.940 -5.463 -7.120 1.00 0.00 O ATOM 359 CB ALA B 29 3.685 -8.580 -7.779 1.00 0.00 C ATOM 0 H ALA B 29 4.514 -9.391 -5.650 1.00 0.00 H new ATOM 0 HA ALA B 29 5.403 -7.388 -7.375 1.00 0.00 H new ATOM 0 HB1 ALA B 29 3.369 -7.993 -8.642 1.00 0.00 H new ATOM 0 HB2 ALA B 29 4.289 -9.423 -8.115 1.00 0.00 H new ATOM 0 HB3 ALA B 29 2.806 -8.951 -7.251 1.00 0.00 H new ATOM 365 N ALA B 30 2.957 -6.406 -5.436 1.00 0.00 N ATOM 366 CA ALA B 30 2.262 -5.208 -5.033 1.00 0.00 C ATOM 367 C ALA B 30 3.180 -4.242 -4.308 1.00 0.00 C ATOM 368 O ALA B 30 3.159 -3.044 -4.528 1.00 0.00 O ATOM 369 CB ALA B 30 1.089 -5.571 -4.141 1.00 0.00 C ATOM 0 H ALA B 30 2.765 -7.213 -4.843 1.00 0.00 H new ATOM 0 HA ALA B 30 1.902 -4.712 -5.934 1.00 0.00 H new ATOM 0 HB1 ALA B 30 0.567 -4.663 -3.839 1.00 0.00 H new ATOM 0 HB2 ALA B 30 0.404 -6.219 -4.687 1.00 0.00 H new ATOM 0 HB3 ALA B 30 1.453 -6.092 -3.255 1.00 0.00 H new ATOM 375 N ILE B 31 3.978 -4.788 -3.398 1.00 0.00 N ATOM 376 CA ILE B 31 4.732 -4.030 -2.429 1.00 0.00 C ATOM 377 C ILE B 31 5.938 -3.383 -3.084 1.00 0.00 C ATOM 378 O ILE B 31 6.320 -2.272 -2.747 1.00 0.00 O ATOM 379 CB ILE B 31 5.105 -4.929 -1.262 1.00 0.00 C ATOM 380 CG1 ILE B 31 3.920 -5.651 -0.639 1.00 0.00 C ATOM 381 CG2 ILE B 31 5.911 -4.136 -0.247 1.00 0.00 C ATOM 382 CD1 ILE B 31 3.094 -4.889 0.379 1.00 0.00 C ATOM 0 H ILE B 31 4.116 -5.795 -3.319 1.00 0.00 H new ATOM 0 HA ILE B 31 4.122 -3.217 -2.034 1.00 0.00 H new ATOM 0 HB ILE B 31 5.728 -5.734 -1.652 1.00 0.00 H new ATOM 0 HG12 ILE B 31 3.256 -5.965 -1.444 1.00 0.00 H new ATOM 0 HG13 ILE B 31 4.292 -6.557 -0.161 1.00 0.00 H new ATOM 0 HG21 ILE B 31 6.178 -4.781 0.590 1.00 0.00 H new ATOM 0 HG22 ILE B 31 6.818 -3.758 -0.718 1.00 0.00 H new ATOM 0 HG23 ILE B 31 5.315 -3.299 0.116 1.00 0.00 H new ATOM 0 HD11 ILE B 31 2.284 -5.524 0.739 1.00 0.00 H new ATOM 0 HD12 ILE B 31 3.727 -4.598 1.217 1.00 0.00 H new ATOM 0 HD13 ILE B 31 2.676 -3.997 -0.087 1.00 0.00 H new ATOM 394 N LYS B 32 6.575 -4.076 -4.024 1.00 0.00 N ATOM 395 CA LYS B 32 7.740 -3.630 -4.752 1.00 0.00 C ATOM 396 C LYS B 32 7.421 -2.547 -5.758 1.00 0.00 C ATOM 397 O LYS B 32 8.275 -1.738 -6.055 1.00 0.00 O ATOM 398 CB LYS B 32 8.414 -4.813 -5.425 1.00 0.00 C ATOM 399 CG LYS B 32 9.157 -5.703 -4.444 1.00 0.00 C ATOM 400 CD LYS B 32 9.818 -6.860 -5.160 1.00 0.00 C ATOM 401 CE LYS B 32 10.485 -7.790 -4.208 1.00 0.00 C ATOM 402 NZ LYS B 32 11.081 -8.903 -4.895 1.00 0.00 N ATOM 0 H LYS B 32 6.271 -5.008 -4.306 1.00 0.00 H new ATOM 0 HA LYS B 32 8.425 -3.186 -4.030 1.00 0.00 H new ATOM 0 HB2 LYS B 32 7.662 -5.404 -5.948 1.00 0.00 H new ATOM 0 HB3 LYS B 32 9.112 -4.448 -6.178 1.00 0.00 H new ATOM 0 HG2 LYS B 32 9.910 -5.119 -3.915 1.00 0.00 H new ATOM 0 HG3 LYS B 32 8.463 -6.083 -3.694 1.00 0.00 H new ATOM 0 HD2 LYS B 32 9.071 -7.405 -5.737 1.00 0.00 H new ATOM 0 HD3 LYS B 32 10.552 -6.477 -5.869 1.00 0.00 H new ATOM 0 HE2 LYS B 32 11.251 -7.253 -3.648 1.00 0.00 H new ATOM 0 HE3 LYS B 32 9.757 -8.155 -3.483 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 11.538 -9.533 -4.205 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 10.345 -9.428 -5.409 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 11.792 -8.554 -5.569 1.00 0.00 H new ATOM 416 N ALA B 33 6.162 -2.451 -6.161 1.00 0.00 N ATOM 417 CA ALA B 33 5.613 -1.247 -6.737 1.00 0.00 C ATOM 418 C ALA B 33 5.567 -0.173 -5.672 1.00 0.00 C ATOM 419 O ALA B 33 6.296 0.799 -5.767 1.00 0.00 O ATOM 420 CB ALA B 33 4.271 -1.556 -7.368 1.00 0.00 C ATOM 0 H ALA B 33 5.493 -3.218 -6.094 1.00 0.00 H new ATOM 0 HA ALA B 33 6.241 -0.862 -7.541 1.00 0.00 H new ATOM 0 HB1 ALA B 33 3.856 -0.647 -7.803 1.00 0.00 H new ATOM 0 HB2 ALA B 33 4.400 -2.306 -8.148 1.00 0.00 H new ATOM 0 HB3 ALA B 33 3.590 -1.938 -6.607 1.00 0.00 H new ATOM 426 N ILE B 34 4.763 -0.361 -4.629 1.00 0.00 N ATOM 427 CA ILE B 34 4.340 0.712 -3.760 1.00 0.00 C ATOM 428 C ILE B 34 5.477 1.276 -2.935 1.00 0.00 C ATOM 429 O ILE B 34 5.599 2.488 -2.866 1.00 0.00 O ATOM 430 CB ILE B 34 3.113 0.272 -2.982 1.00 0.00 C ATOM 431 CG1 ILE B 34 2.047 1.347 -2.874 1.00 0.00 C ATOM 432 CG2 ILE B 34 3.426 -0.357 -1.639 1.00 0.00 C ATOM 433 CD1 ILE B 34 2.320 2.513 -1.961 1.00 0.00 C ATOM 0 H ILE B 34 4.388 -1.273 -4.368 1.00 0.00 H new ATOM 0 HA ILE B 34 4.033 1.573 -4.354 1.00 0.00 H new ATOM 0 HB ILE B 34 2.686 -0.525 -3.590 1.00 0.00 H new ATOM 0 HG12 ILE B 34 1.864 1.740 -3.874 1.00 0.00 H new ATOM 0 HG13 ILE B 34 1.123 0.872 -2.544 1.00 0.00 H new ATOM 0 HG21 ILE B 34 2.497 -0.644 -1.146 1.00 0.00 H new ATOM 0 HG22 ILE B 34 4.046 -1.241 -1.787 1.00 0.00 H new ATOM 0 HG23 ILE B 34 3.960 0.361 -1.017 1.00 0.00 H new ATOM 0 HD11 ILE B 34 1.474 3.199 -1.984 1.00 0.00 H new ATOM 0 HD12 ILE B 34 2.466 2.152 -0.943 1.00 0.00 H new ATOM 0 HD13 ILE B 34 3.218 3.033 -2.294 1.00 0.00 H new ATOM 445 N ALA B 35 6.389 0.461 -2.410 1.00 0.00 N ATOM 446 CA ALA B 35 7.533 1.001 -1.717 1.00 0.00 C ATOM 447 C ALA B 35 8.450 1.800 -2.623 1.00 0.00 C ATOM 448 O ALA B 35 9.014 2.793 -2.184 1.00 0.00 O ATOM 449 CB ALA B 35 8.269 -0.130 -1.020 1.00 0.00 C ATOM 0 H ALA B 35 6.352 -0.557 -2.455 1.00 0.00 H new ATOM 0 HA ALA B 35 7.177 1.713 -0.973 1.00 0.00 H new ATOM 0 HB1 ALA B 35 9.136 0.270 -0.493 1.00 0.00 H new ATOM 0 HB2 ALA B 35 7.602 -0.613 -0.306 1.00 0.00 H new ATOM 0 HB3 ALA B 35 8.599 -0.860 -1.759 1.00 0.00 H new ATOM 455 N ALA B 36 8.565 1.463 -3.905 1.00 0.00 N ATOM 456 CA ALA B 36 9.401 2.140 -4.866 1.00 0.00 C ATOM 457 C ALA B 36 8.744 3.428 -5.324 1.00 0.00 C ATOM 458 O ALA B 36 9.401 4.441 -5.498 1.00 0.00 O ATOM 459 CB ALA B 36 9.748 1.198 -6.008 1.00 0.00 C ATOM 0 H ALA B 36 8.054 0.678 -4.309 1.00 0.00 H new ATOM 0 HA ALA B 36 10.344 2.428 -4.401 1.00 0.00 H new ATOM 0 HB1 ALA B 36 10.379 1.717 -6.729 1.00 0.00 H new ATOM 0 HB2 ALA B 36 10.281 0.332 -5.616 1.00 0.00 H new ATOM 0 HB3 ALA B 36 8.832 0.868 -6.499 1.00 0.00 H new ATOM 465 N ILE B 37 7.427 3.432 -5.475 1.00 0.00 N ATOM 466 CA ILE B 37 6.598 4.585 -5.737 1.00 0.00 C ATOM 467 C ILE B 37 6.683 5.533 -4.557 1.00 0.00 C ATOM 468 O ILE B 37 6.813 6.733 -4.721 1.00 0.00 O ATOM 469 CB ILE B 37 5.182 4.125 -6.046 1.00 0.00 C ATOM 470 CG1 ILE B 37 5.135 3.342 -7.344 1.00 0.00 C ATOM 471 CG2 ILE B 37 4.197 5.274 -6.115 1.00 0.00 C ATOM 472 CD1 ILE B 37 3.939 2.419 -7.476 1.00 0.00 C ATOM 0 H ILE B 37 6.881 2.573 -5.413 1.00 0.00 H new ATOM 0 HA ILE B 37 6.946 5.135 -6.611 1.00 0.00 H new ATOM 0 HB ILE B 37 4.886 3.480 -5.219 1.00 0.00 H new ATOM 0 HG12 ILE B 37 5.130 4.044 -8.178 1.00 0.00 H new ATOM 0 HG13 ILE B 37 6.046 2.750 -7.430 1.00 0.00 H new ATOM 0 HG21 ILE B 37 3.202 4.888 -6.338 1.00 0.00 H new ATOM 0 HG22 ILE B 37 4.178 5.795 -5.158 1.00 0.00 H new ATOM 0 HG23 ILE B 37 4.501 5.968 -6.899 1.00 0.00 H new ATOM 0 HD11 ILE B 37 3.985 1.899 -8.433 1.00 0.00 H new ATOM 0 HD12 ILE B 37 3.951 1.690 -6.666 1.00 0.00 H new ATOM 0 HD13 ILE B 37 3.021 3.004 -7.425 1.00 0.00 H new ATOM 484 N ILE B 38 6.692 5.054 -3.319 1.00 0.00 N ATOM 485 CA ILE B 38 6.926 5.808 -2.107 1.00 0.00 C ATOM 486 C ILE B 38 8.286 6.477 -2.104 1.00 0.00 C ATOM 487 O ILE B 38 8.358 7.678 -1.872 1.00 0.00 O ATOM 488 CB ILE B 38 6.634 4.983 -0.863 1.00 0.00 C ATOM 489 CG1 ILE B 38 5.122 4.878 -0.753 1.00 0.00 C ATOM 490 CG2 ILE B 38 7.210 5.601 0.401 1.00 0.00 C ATOM 491 CD1 ILE B 38 4.659 4.094 0.462 1.00 0.00 C ATOM 0 H ILE B 38 6.525 4.066 -3.130 1.00 0.00 H new ATOM 0 HA ILE B 38 6.209 6.629 -2.083 1.00 0.00 H new ATOM 0 HB ILE B 38 7.106 4.005 -0.958 1.00 0.00 H new ATOM 0 HG12 ILE B 38 4.698 5.881 -0.712 1.00 0.00 H new ATOM 0 HG13 ILE B 38 4.732 4.403 -1.653 1.00 0.00 H new ATOM 0 HG21 ILE B 38 6.971 4.969 1.257 1.00 0.00 H new ATOM 0 HG22 ILE B 38 8.292 5.686 0.304 1.00 0.00 H new ATOM 0 HG23 ILE B 38 6.780 6.592 0.550 1.00 0.00 H new ATOM 0 HD11 ILE B 38 3.570 4.058 0.479 1.00 0.00 H new ATOM 0 HD12 ILE B 38 5.055 3.080 0.413 1.00 0.00 H new ATOM 0 HD13 ILE B 38 5.020 4.581 1.368 1.00 0.00 H new ATOM 503 N LYS B 39 9.346 5.711 -2.359 1.00 0.00 N ATOM 504 CA LYS B 39 10.711 6.170 -2.443 1.00 0.00 C ATOM 505 C LYS B 39 10.882 7.300 -3.436 1.00 0.00 C ATOM 506 O LYS B 39 11.736 8.150 -3.223 1.00 0.00 O ATOM 507 CB LYS B 39 11.520 4.929 -2.754 1.00 0.00 C ATOM 508 CG LYS B 39 13.003 5.143 -2.976 1.00 0.00 C ATOM 509 CD LYS B 39 13.827 5.563 -1.789 1.00 0.00 C ATOM 510 CE LYS B 39 13.855 4.495 -0.758 1.00 0.00 C ATOM 511 NZ LYS B 39 14.726 4.781 0.345 1.00 0.00 N ATOM 0 H LYS B 39 9.260 4.707 -2.519 1.00 0.00 H new ATOM 0 HA LYS B 39 11.057 6.623 -1.514 1.00 0.00 H new ATOM 0 HB2 LYS B 39 11.394 4.222 -1.934 1.00 0.00 H new ATOM 0 HB3 LYS B 39 11.103 4.461 -3.646 1.00 0.00 H new ATOM 0 HG2 LYS B 39 13.422 4.216 -3.366 1.00 0.00 H new ATOM 0 HG3 LYS B 39 13.122 5.898 -3.753 1.00 0.00 H new ATOM 0 HD2 LYS B 39 14.844 5.791 -2.110 1.00 0.00 H new ATOM 0 HD3 LYS B 39 13.415 6.477 -1.361 1.00 0.00 H new ATOM 0 HE2 LYS B 39 12.844 4.340 -0.381 1.00 0.00 H new ATOM 0 HE3 LYS B 39 14.168 3.561 -1.224 1.00 0.00 H new ATOM 0 HZ1 LYS B 39 14.696 3.994 1.024 1.00 0.00 H new ATOM 0 HZ2 LYS B 39 15.699 4.901 -0.003 1.00 0.00 H new ATOM 0 HZ3 LYS B 39 14.416 5.656 0.814 1.00 0.00 H new ATOM 525 N ALA B 40 10.055 7.356 -4.473 1.00 0.00 N ATOM 526 CA ALA B 40 9.960 8.467 -5.387 1.00 0.00 C ATOM 527 C ALA B 40 9.020 9.566 -4.939 1.00 0.00 C ATOM 528 O ALA B 40 9.327 10.708 -5.119 1.00 0.00 O ATOM 529 CB ALA B 40 9.578 7.945 -6.753 1.00 0.00 C ATOM 0 H ALA B 40 9.413 6.597 -4.701 1.00 0.00 H new ATOM 0 HA ALA B 40 10.941 8.941 -5.419 1.00 0.00 H new ATOM 0 HB1 ALA B 40 9.503 8.777 -7.453 1.00 0.00 H new ATOM 0 HB2 ALA B 40 10.338 7.246 -7.101 1.00 0.00 H new ATOM 0 HB3 ALA B 40 8.617 7.435 -6.692 1.00 0.00 H new ATOM 535 N GLY B 41 7.885 9.278 -4.348 1.00 0.00 N ATOM 536 CA GLY B 41 6.839 10.204 -3.988 1.00 0.00 C ATOM 537 C GLY B 41 7.006 11.023 -2.728 1.00 0.00 C ATOM 538 O GLY B 41 6.375 12.056 -2.612 1.00 0.00 O ATOM 0 H GLY B 41 7.652 8.320 -4.087 1.00 0.00 H new ATOM 0 HA2 GLY B 41 6.708 10.897 -4.819 1.00 0.00 H new ATOM 0 HA3 GLY B 41 5.912 9.638 -3.896 1.00 0.00 H new ATOM 542 N GLY B 42 7.859 10.600 -1.804 1.00 0.00 N ATOM 543 CA GLY B 42 8.217 11.377 -0.646 1.00 0.00 C ATOM 544 C GLY B 42 7.168 11.390 0.440 1.00 0.00 C ATOM 545 O GLY B 42 7.119 12.303 1.223 1.00 0.00 O ATOM 0 H GLY B 42 8.323 9.693 -1.847 1.00 0.00 H new ATOM 0 HA2 GLY B 42 9.147 10.985 -0.233 1.00 0.00 H new ATOM 0 HA3 GLY B 42 8.414 12.403 -0.958 1.00 0.00 H new ATOM 549 N PHE B 43 6.333 10.369 0.479 1.00 0.00 N ATOM 550 CA PHE B 43 5.268 10.173 1.430 1.00 0.00 C ATOM 551 C PHE B 43 5.691 10.120 2.873 1.00 0.00 C ATOM 552 O PHE B 43 4.966 10.549 3.737 1.00 0.00 O ATOM 553 CB PHE B 43 4.570 8.870 1.093 1.00 0.00 C ATOM 554 CG PHE B 43 3.933 8.823 -0.263 1.00 0.00 C ATOM 555 CD1 PHE B 43 4.674 8.346 -1.338 1.00 0.00 C ATOM 556 CD2 PHE B 43 2.581 9.071 -0.451 1.00 0.00 C ATOM 557 CE1 PHE B 43 4.041 7.907 -2.500 1.00 0.00 C ATOM 558 CE2 PHE B 43 1.968 8.779 -1.670 1.00 0.00 C ATOM 559 CZ PHE B 43 2.682 8.114 -2.655 1.00 0.00 C ATOM 0 H PHE B 43 6.389 9.609 -0.199 1.00 0.00 H new ATOM 0 HA PHE B 43 4.623 11.047 1.341 1.00 0.00 H new ATOM 0 HB2 PHE B 43 5.294 8.058 1.166 1.00 0.00 H new ATOM 0 HB3 PHE B 43 3.803 8.681 1.844 1.00 0.00 H new ATOM 0 HD1 PHE B 43 5.752 8.315 -1.272 1.00 0.00 H new ATOM 0 HD2 PHE B 43 1.998 9.494 0.354 1.00 0.00 H new ATOM 0 HE1 PHE B 43 4.607 7.409 -3.273 1.00 0.00 H new ATOM 0 HE2 PHE B 43 0.943 9.069 -1.845 1.00 0.00 H new ATOM 0 HZ PHE B 43 2.178 7.758 -3.542 1.00 0.00 H new HETATM 569 N NH2 B 44 6.880 9.660 3.174 1.00 0.00 N TER 572 NH2 B 44 HETATM 573 C ACE C 45 -7.369 13.754 -1.609 1.00 0.00 C HETATM 574 O ACE C 45 -6.753 14.761 -1.516 1.00 0.00 O HETATM 575 CH3 ACE C 45 -8.862 13.760 -1.689 1.00 0.00 C HETATM 0 H1 ACE C 45 -9.178 13.301 -2.626 1.00 0.00 H new HETATM 0 H2 ACE C 45 -9.273 13.196 -0.852 1.00 0.00 H new HETATM 0 H3 ACE C 45 -9.224 14.787 -1.647 1.00 0.00 H new ATOM 579 N ALA C 46 -6.841 12.560 -1.531 1.00 0.00 N ATOM 580 CA ALA C 46 -5.516 12.260 -1.073 1.00 0.00 C ATOM 581 C ALA C 46 -5.093 12.847 0.252 1.00 0.00 C ATOM 582 O ALA C 46 -3.957 12.657 0.651 1.00 0.00 O ATOM 583 CB ALA C 46 -4.567 12.452 -2.212 1.00 0.00 C ATOM 0 H ALA C 46 -7.358 11.724 -1.803 1.00 0.00 H new ATOM 0 HA ALA C 46 -5.503 11.211 -0.779 1.00 0.00 H new ATOM 0 HB1 ALA C 46 -3.553 12.228 -1.882 1.00 0.00 H new ATOM 0 HB2 ALA C 46 -4.839 11.783 -3.029 1.00 0.00 H new ATOM 0 HB3 ALA C 46 -4.617 13.485 -2.557 1.00 0.00 H new ATOM 589 N LYS C 47 -5.988 13.421 1.030 1.00 0.00 N ATOM 590 CA LYS C 47 -5.787 13.825 2.394 1.00 0.00 C ATOM 591 C LYS C 47 -5.551 12.643 3.292 1.00 0.00 C ATOM 592 O LYS C 47 -4.812 12.686 4.223 1.00 0.00 O ATOM 593 CB LYS C 47 -6.951 14.626 2.893 1.00 0.00 C ATOM 594 CG LYS C 47 -7.365 15.818 2.074 1.00 0.00 C ATOM 595 CD LYS C 47 -6.295 16.837 1.953 1.00 0.00 C ATOM 596 CE LYS C 47 -6.735 17.939 1.075 1.00 0.00 C ATOM 597 NZ LYS C 47 -5.753 18.916 0.818 1.00 0.00 N ATOM 0 H LYS C 47 -6.931 13.628 0.700 1.00 0.00 H new ATOM 0 HA LYS C 47 -4.895 14.451 2.416 1.00 0.00 H new ATOM 0 HB2 LYS C 47 -7.809 13.959 2.977 1.00 0.00 H new ATOM 0 HB3 LYS C 47 -6.716 14.972 3.900 1.00 0.00 H new ATOM 0 HG2 LYS C 47 -7.656 15.484 1.078 1.00 0.00 H new ATOM 0 HG3 LYS C 47 -8.245 16.275 2.527 1.00 0.00 H new ATOM 0 HD2 LYS C 47 -6.042 17.227 2.939 1.00 0.00 H new ATOM 0 HD3 LYS C 47 -5.392 16.380 1.549 1.00 0.00 H new ATOM 0 HE2 LYS C 47 -7.067 17.518 0.126 1.00 0.00 H new ATOM 0 HE3 LYS C 47 -7.600 18.423 1.529 1.00 0.00 H new ATOM 0 HZ1 LYS C 47 -6.148 19.649 0.195 1.00 0.00 H new ATOM 0 HZ2 LYS C 47 -5.451 19.349 1.714 1.00 0.00 H new ATOM 0 HZ3 LYS C 47 -4.934 18.472 0.355 1.00 0.00 H new ATOM 611 N ALA C 48 -6.154 11.518 2.981 1.00 0.00 N ATOM 612 CA ALA C 48 -6.015 10.215 3.572 1.00 0.00 C ATOM 613 C ALA C 48 -4.711 9.528 3.221 1.00 0.00 C ATOM 614 O ALA C 48 -4.375 8.537 3.845 1.00 0.00 O ATOM 615 CB ALA C 48 -7.170 9.384 3.044 1.00 0.00 C ATOM 0 H ALA C 48 -6.831 11.498 2.219 1.00 0.00 H new ATOM 0 HA ALA C 48 -6.018 10.319 4.657 1.00 0.00 H new ATOM 0 HB1 ALA C 48 -7.116 8.379 3.462 1.00 0.00 H new ATOM 0 HB2 ALA C 48 -8.113 9.847 3.334 1.00 0.00 H new ATOM 0 HB3 ALA C 48 -7.112 9.329 1.957 1.00 0.00 H new ATOM 621 N ALA C 49 -4.003 9.994 2.200 1.00 0.00 N ATOM 622 CA ALA C 49 -2.848 9.314 1.670 1.00 0.00 C ATOM 623 C ALA C 49 -1.787 9.082 2.729 1.00 0.00 C ATOM 624 O ALA C 49 -1.544 7.941 3.092 1.00 0.00 O ATOM 625 CB ALA C 49 -2.365 10.042 0.428 1.00 0.00 C ATOM 0 H ALA C 49 -4.224 10.865 1.717 1.00 0.00 H new ATOM 0 HA ALA C 49 -3.121 8.306 1.357 1.00 0.00 H new ATOM 0 HB1 ALA C 49 -1.491 9.531 0.024 1.00 0.00 H new ATOM 0 HB2 ALA C 49 -3.158 10.052 -0.320 1.00 0.00 H new ATOM 0 HB3 ALA C 49 -2.098 11.067 0.687 1.00 0.00 H new ATOM 631 N ALA C 50 -1.280 10.136 3.356 1.00 0.00 N ATOM 632 CA ALA C 50 -0.291 10.095 4.404 1.00 0.00 C ATOM 633 C ALA C 50 -0.798 9.576 5.737 1.00 0.00 C ATOM 634 O ALA C 50 -0.030 9.612 6.689 1.00 0.00 O ATOM 635 CB ALA C 50 0.342 11.467 4.526 1.00 0.00 C ATOM 0 H ALA C 50 -1.568 11.088 3.129 1.00 0.00 H new ATOM 0 HA ALA C 50 0.459 9.359 4.115 1.00 0.00 H new ATOM 0 HB1 ALA C 50 1.093 11.452 5.316 1.00 0.00 H new ATOM 0 HB2 ALA C 50 0.814 11.735 3.581 1.00 0.00 H new ATOM 0 HB3 ALA C 50 -0.426 12.202 4.769 1.00 0.00 H new ATOM 641 N ALA C 51 -1.989 8.998 5.836 1.00 0.00 N ATOM 642 CA ALA C 51 -2.281 7.969 6.806 1.00 0.00 C ATOM 643 C ALA C 51 -2.045 6.589 6.232 1.00 0.00 C ATOM 644 O ALA C 51 -1.204 5.877 6.746 1.00 0.00 O ATOM 645 CB ALA C 51 -3.696 8.194 7.299 1.00 0.00 C ATOM 0 H ALA C 51 -2.780 9.237 5.238 1.00 0.00 H new ATOM 0 HA ALA C 51 -1.605 8.029 7.659 1.00 0.00 H new ATOM 0 HB1 ALA C 51 -3.950 7.432 8.036 1.00 0.00 H new ATOM 0 HB2 ALA C 51 -3.769 9.180 7.757 1.00 0.00 H new ATOM 0 HB3 ALA C 51 -4.388 8.132 6.459 1.00 0.00 H new ATOM 651 N ALA C 52 -2.715 6.214 5.150 1.00 0.00 N ATOM 652 CA ALA C 52 -2.771 4.888 4.581 1.00 0.00 C ATOM 653 C ALA C 52 -1.427 4.273 4.243 1.00 0.00 C ATOM 654 O ALA C 52 -1.029 3.246 4.770 1.00 0.00 O ATOM 655 CB ALA C 52 -3.669 4.959 3.355 1.00 0.00 C ATOM 0 H ALA C 52 -3.270 6.881 4.615 1.00 0.00 H new ATOM 0 HA ALA C 52 -3.172 4.218 5.341 1.00 0.00 H new ATOM 0 HB1 ALA C 52 -3.736 3.973 2.896 1.00 0.00 H new ATOM 0 HB2 ALA C 52 -4.664 5.290 3.652 1.00 0.00 H new ATOM 0 HB3 ALA C 52 -3.251 5.665 2.638 1.00 0.00 H new ATOM 661 N ILE C 53 -0.681 4.884 3.331 1.00 0.00 N ATOM 662 CA ILE C 53 0.550 4.341 2.809 1.00 0.00 C ATOM 663 C ILE C 53 1.687 4.481 3.806 1.00 0.00 C ATOM 664 O ILE C 53 2.677 3.781 3.756 1.00 0.00 O ATOM 665 CB ILE C 53 0.873 4.891 1.431 1.00 0.00 C ATOM 666 CG1 ILE C 53 1.723 6.151 1.391 1.00 0.00 C ATOM 667 CG2 ILE C 53 -0.348 5.101 0.556 1.00 0.00 C ATOM 668 CD1 ILE C 53 1.054 7.347 2.054 1.00 0.00 C ATOM 0 H ILE C 53 -0.927 5.789 2.930 1.00 0.00 H new ATOM 0 HA ILE C 53 0.410 3.269 2.666 1.00 0.00 H new ATOM 0 HB ILE C 53 1.484 4.085 1.025 1.00 0.00 H new ATOM 0 HG12 ILE C 53 2.675 5.955 1.885 1.00 0.00 H new ATOM 0 HG13 ILE C 53 1.947 6.397 0.353 1.00 0.00 H new ATOM 0 HG21 ILE C 53 -0.039 5.495 -0.412 1.00 0.00 H new ATOM 0 HG22 ILE C 53 -0.861 4.150 0.413 1.00 0.00 H new ATOM 0 HG23 ILE C 53 -1.023 5.809 1.037 1.00 0.00 H new ATOM 0 HD11 ILE C 53 1.713 8.213 1.991 1.00 0.00 H new ATOM 0 HD12 ILE C 53 0.115 7.567 1.545 1.00 0.00 H new ATOM 0 HD13 ILE C 53 0.854 7.118 3.101 1.00 0.00 H new ATOM 680 N LYS C 54 1.550 5.423 4.734 1.00 0.00 N ATOM 681 CA LYS C 54 2.529 5.770 5.738 1.00 0.00 C ATOM 682 C LYS C 54 2.535 4.725 6.834 1.00 0.00 C ATOM 683 O LYS C 54 3.601 4.314 7.243 1.00 0.00 O ATOM 684 CB LYS C 54 2.194 7.148 6.285 1.00 0.00 C ATOM 685 CG LYS C 54 3.189 8.204 5.926 1.00 0.00 C ATOM 686 CD LYS C 54 4.478 8.134 6.598 1.00 0.00 C ATOM 687 CE LYS C 54 4.438 8.292 8.021 1.00 0.00 C ATOM 688 NZ LYS C 54 4.082 9.529 8.415 1.00 0.00 N ATOM 0 H LYS C 54 0.705 5.990 4.803 1.00 0.00 H new ATOM 0 HA LYS C 54 3.528 5.796 5.304 1.00 0.00 H new ATOM 0 HB2 LYS C 54 1.213 7.446 5.914 1.00 0.00 H new ATOM 0 HB3 LYS C 54 2.119 7.088 7.371 1.00 0.00 H new ATOM 0 HG2 LYS C 54 3.362 8.159 4.851 1.00 0.00 H new ATOM 0 HG3 LYS C 54 2.746 9.177 6.138 1.00 0.00 H new ATOM 0 HD2 LYS C 54 4.936 7.172 6.369 1.00 0.00 H new ATOM 0 HD3 LYS C 54 5.128 8.904 6.182 1.00 0.00 H new ATOM 0 HE2 LYS C 54 3.736 7.570 8.439 1.00 0.00 H new ATOM 0 HE3 LYS C 54 5.420 8.057 8.432 1.00 0.00 H new ATOM 0 HZ1 LYS C 54 4.267 9.636 9.433 1.00 0.00 H new ATOM 0 HZ2 LYS C 54 4.634 10.234 7.886 1.00 0.00 H new ATOM 0 HZ3 LYS C 54 3.069 9.674 8.231 1.00 0.00 H new ATOM 702 N ALA C 55 1.364 4.230 7.196 1.00 0.00 N ATOM 703 CA ALA C 55 1.213 3.014 7.951 1.00 0.00 C ATOM 704 C ALA C 55 1.904 1.867 7.237 1.00 0.00 C ATOM 705 O ALA C 55 2.798 1.244 7.791 1.00 0.00 O ATOM 706 CB ALA C 55 -0.251 2.720 8.230 1.00 0.00 C ATOM 0 H ALA C 55 0.477 4.678 6.965 1.00 0.00 H new ATOM 0 HA ALA C 55 1.695 3.139 8.921 1.00 0.00 H new ATOM 0 HB1 ALA C 55 -0.334 1.796 8.802 1.00 0.00 H new ATOM 0 HB2 ALA C 55 -0.684 3.541 8.802 1.00 0.00 H new ATOM 0 HB3 ALA C 55 -0.787 2.613 7.287 1.00 0.00 H new ATOM 712 N ILE C 56 1.585 1.631 5.969 1.00 0.00 N ATOM 713 CA ILE C 56 2.119 0.535 5.196 1.00 0.00 C ATOM 714 C ILE C 56 3.628 0.573 5.079 1.00 0.00 C ATOM 715 O ILE C 56 4.266 -0.457 5.219 1.00 0.00 O ATOM 716 CB ILE C 56 1.403 0.436 3.862 1.00 0.00 C ATOM 717 CG1 ILE C 56 0.571 -0.780 3.744 1.00 0.00 C ATOM 718 CG2 ILE C 56 2.241 0.550 2.643 1.00 0.00 C ATOM 719 CD1 ILE C 56 1.279 -2.048 3.614 1.00 0.00 C ATOM 0 H ILE C 56 0.932 2.215 5.446 1.00 0.00 H new ATOM 0 HA ILE C 56 1.920 -0.390 5.737 1.00 0.00 H new ATOM 0 HB ILE C 56 0.780 1.330 3.891 1.00 0.00 H new ATOM 0 HG12 ILE C 56 -0.073 -0.838 4.622 1.00 0.00 H new ATOM 0 HG13 ILE C 56 -0.081 -0.664 2.878 1.00 0.00 H new ATOM 0 HG21 ILE C 56 1.610 0.463 1.758 1.00 0.00 H new ATOM 0 HG22 ILE C 56 2.744 1.517 2.636 1.00 0.00 H new ATOM 0 HG23 ILE C 56 2.985 -0.246 2.637 1.00 0.00 H new ATOM 0 HD11 ILE C 56 0.557 -2.861 3.536 1.00 0.00 H new ATOM 0 HD12 ILE C 56 1.901 -2.027 2.719 1.00 0.00 H new ATOM 0 HD13 ILE C 56 1.909 -2.205 4.490 1.00 0.00 H new ATOM 731 N ALA C 57 4.253 1.734 4.923 1.00 0.00 N ATOM 732 CA ALA C 57 5.689 1.819 4.841 1.00 0.00 C ATOM 733 C ALA C 57 6.410 1.508 6.136 1.00 0.00 C ATOM 734 O ALA C 57 7.478 0.921 6.119 1.00 0.00 O ATOM 735 CB ALA C 57 6.068 3.201 4.354 1.00 0.00 C ATOM 0 H ALA C 57 3.774 2.632 4.851 1.00 0.00 H new ATOM 0 HA ALA C 57 6.010 1.048 4.140 1.00 0.00 H new ATOM 0 HB1 ALA C 57 7.153 3.278 4.288 1.00 0.00 H new ATOM 0 HB2 ALA C 57 5.631 3.373 3.370 1.00 0.00 H new ATOM 0 HB3 ALA C 57 5.693 3.949 5.053 1.00 0.00 H new ATOM 741 N ALA C 58 5.823 1.885 7.267 1.00 0.00 N ATOM 742 CA ALA C 58 6.287 1.580 8.600 1.00 0.00 C ATOM 743 C ALA C 58 6.108 0.114 8.925 1.00 0.00 C ATOM 744 O ALA C 58 6.961 -0.504 9.525 1.00 0.00 O ATOM 745 CB ALA C 58 5.564 2.467 9.590 1.00 0.00 C ATOM 0 H ALA C 58 4.967 2.440 7.270 1.00 0.00 H new ATOM 0 HA ALA C 58 7.357 1.781 8.663 1.00 0.00 H new ATOM 0 HB1 ALA C 58 5.909 2.243 10.599 1.00 0.00 H new ATOM 0 HB2 ALA C 58 5.770 3.512 9.360 1.00 0.00 H new ATOM 0 HB3 ALA C 58 4.491 2.286 9.525 1.00 0.00 H new ATOM 751 N ILE C 59 4.992 -0.467 8.508 1.00 0.00 N ATOM 752 CA ILE C 59 4.610 -1.857 8.589 1.00 0.00 C ATOM 753 C ILE C 59 5.551 -2.703 7.755 1.00 0.00 C ATOM 754 O ILE C 59 6.098 -3.673 8.245 1.00 0.00 O ATOM 755 CB ILE C 59 3.147 -2.010 8.208 1.00 0.00 C ATOM 756 CG1 ILE C 59 2.248 -1.463 9.303 1.00 0.00 C ATOM 757 CG2 ILE C 59 2.783 -3.440 7.856 1.00 0.00 C ATOM 758 CD1 ILE C 59 0.858 -1.085 8.830 1.00 0.00 C ATOM 0 H ILE C 59 4.262 0.086 8.060 1.00 0.00 H new ATOM 0 HA ILE C 59 4.702 -2.220 9.613 1.00 0.00 H new ATOM 0 HB ILE C 59 2.987 -1.422 7.305 1.00 0.00 H new ATOM 0 HG12 ILE C 59 2.161 -2.208 10.093 1.00 0.00 H new ATOM 0 HG13 ILE C 59 2.722 -0.586 9.743 1.00 0.00 H new ATOM 0 HG21 ILE C 59 1.727 -3.492 7.592 1.00 0.00 H new ATOM 0 HG22 ILE C 59 3.385 -3.771 7.010 1.00 0.00 H new ATOM 0 HG23 ILE C 59 2.975 -4.086 8.713 1.00 0.00 H new ATOM 0 HD11 ILE C 59 0.279 -0.703 9.671 1.00 0.00 H new ATOM 0 HD12 ILE C 59 0.932 -0.316 8.061 1.00 0.00 H new ATOM 0 HD13 ILE C 59 0.363 -1.964 8.417 1.00 0.00 H new ATOM 770 N ILE C 60 5.863 -2.324 6.522 1.00 0.00 N ATOM 771 CA ILE C 60 6.888 -2.879 5.670 1.00 0.00 C ATOM 772 C ILE C 60 8.281 -2.948 6.274 1.00 0.00 C ATOM 773 O ILE C 60 8.929 -3.980 6.192 1.00 0.00 O ATOM 774 CB ILE C 60 6.855 -2.194 4.309 1.00 0.00 C ATOM 775 CG1 ILE C 60 5.614 -2.615 3.536 1.00 0.00 C ATOM 776 CG2 ILE C 60 8.078 -2.500 3.458 1.00 0.00 C ATOM 777 CD1 ILE C 60 5.342 -1.909 2.218 1.00 0.00 C ATOM 0 H ILE C 60 5.363 -1.562 6.064 1.00 0.00 H new ATOM 0 HA ILE C 60 6.641 -3.933 5.544 1.00 0.00 H new ATOM 0 HB ILE C 60 6.843 -1.123 4.511 1.00 0.00 H new ATOM 0 HG12 ILE C 60 5.687 -3.684 3.337 1.00 0.00 H new ATOM 0 HG13 ILE C 60 4.748 -2.469 4.182 1.00 0.00 H new ATOM 0 HG21 ILE C 60 7.995 -1.983 2.502 1.00 0.00 H new ATOM 0 HG22 ILE C 60 8.976 -2.162 3.976 1.00 0.00 H new ATOM 0 HG23 ILE C 60 8.142 -3.574 3.285 1.00 0.00 H new ATOM 0 HD11 ILE C 60 4.429 -2.306 1.774 1.00 0.00 H new ATOM 0 HD12 ILE C 60 5.224 -0.840 2.395 1.00 0.00 H new ATOM 0 HD13 ILE C 60 6.177 -2.074 1.538 1.00 0.00 H new ATOM 789 N LYS C 61 8.694 -1.842 6.883 1.00 0.00 N ATOM 790 CA LYS C 61 9.944 -1.719 7.594 1.00 0.00 C ATOM 791 C LYS C 61 10.097 -2.752 8.692 1.00 0.00 C ATOM 792 O LYS C 61 11.193 -3.209 8.940 1.00 0.00 O ATOM 793 CB LYS C 61 10.078 -0.277 8.049 1.00 0.00 C ATOM 794 CG LYS C 61 11.222 -0.004 9.009 1.00 0.00 C ATOM 795 CD LYS C 61 12.595 -0.165 8.432 1.00 0.00 C ATOM 796 CE LYS C 61 12.930 0.910 7.473 1.00 0.00 C ATOM 797 NZ LYS C 61 14.282 0.838 7.047 1.00 0.00 N ATOM 0 H LYS C 61 8.144 -0.983 6.891 1.00 0.00 H new ATOM 0 HA LYS C 61 10.782 -1.946 6.935 1.00 0.00 H new ATOM 0 HB2 LYS C 61 10.205 0.354 7.169 1.00 0.00 H new ATOM 0 HB3 LYS C 61 9.145 0.025 8.526 1.00 0.00 H new ATOM 0 HG2 LYS C 61 11.122 1.013 9.387 1.00 0.00 H new ATOM 0 HG3 LYS C 61 11.124 -0.673 9.864 1.00 0.00 H new ATOM 0 HD2 LYS C 61 13.328 -0.170 9.239 1.00 0.00 H new ATOM 0 HD3 LYS C 61 12.665 -1.131 7.931 1.00 0.00 H new ATOM 0 HE2 LYS C 61 12.272 0.841 6.606 1.00 0.00 H new ATOM 0 HE3 LYS C 61 12.747 1.880 7.936 1.00 0.00 H new ATOM 0 HZ1 LYS C 61 14.476 1.609 6.376 1.00 0.00 H new ATOM 0 HZ2 LYS C 61 14.911 0.929 7.870 1.00 0.00 H new ATOM 0 HZ3 LYS C 61 14.451 -0.077 6.582 1.00 0.00 H new ATOM 811 N ALA C 62 9.027 -3.262 9.272 1.00 0.00 N ATOM 812 CA ALA C 62 8.984 -4.429 10.122 1.00 0.00 C ATOM 813 C ALA C 62 8.722 -5.737 9.395 1.00 0.00 C ATOM 814 O ALA C 62 9.311 -6.740 9.720 1.00 0.00 O ATOM 815 CB ALA C 62 7.968 -4.228 11.232 1.00 0.00 C ATOM 0 H ALA C 62 8.106 -2.841 9.152 1.00 0.00 H new ATOM 0 HA ALA C 62 9.987 -4.527 10.537 1.00 0.00 H new ATOM 0 HB1 ALA C 62 7.943 -5.113 11.867 1.00 0.00 H new ATOM 0 HB2 ALA C 62 8.249 -3.361 11.829 1.00 0.00 H new ATOM 0 HB3 ALA C 62 6.982 -4.066 10.797 1.00 0.00 H new ATOM 821 N GLY C 63 7.859 -5.781 8.407 1.00 0.00 N ATOM 822 CA GLY C 63 7.361 -6.955 7.732 1.00 0.00 C ATOM 823 C GLY C 63 8.193 -7.551 6.621 1.00 0.00 C ATOM 824 O GLY C 63 7.943 -8.669 6.240 1.00 0.00 O ATOM 0 H GLY C 63 7.455 -4.926 8.024 1.00 0.00 H new ATOM 0 HA2 GLY C 63 7.206 -7.729 8.483 1.00 0.00 H new ATOM 0 HA3 GLY C 63 6.382 -6.711 7.320 1.00 0.00 H new ATOM 828 N GLY C 64 9.180 -6.880 6.056 1.00 0.00 N ATOM 829 CA GLY C 64 10.177 -7.426 5.175 1.00 0.00 C ATOM 830 C GLY C 64 9.632 -7.933 3.864 1.00 0.00 C ATOM 831 O GLY C 64 9.953 -8.996 3.444 1.00 0.00 O ATOM 0 H GLY C 64 9.308 -5.880 6.214 1.00 0.00 H new ATOM 0 HA2 GLY C 64 10.926 -6.660 4.973 1.00 0.00 H new ATOM 0 HA3 GLY C 64 10.687 -8.244 5.684 1.00 0.00 H new ATOM 835 N PHE C 65 8.766 -7.201 3.216 1.00 0.00 N ATOM 836 CA PHE C 65 7.977 -7.583 2.073 1.00 0.00 C ATOM 837 C PHE C 65 8.769 -7.682 0.801 1.00 0.00 C ATOM 838 O PHE C 65 8.698 -8.640 0.077 1.00 0.00 O ATOM 839 CB PHE C 65 6.852 -6.583 1.912 1.00 0.00 C ATOM 840 CG PHE C 65 5.780 -6.621 2.966 1.00 0.00 C ATOM 841 CD1 PHE C 65 6.020 -6.048 4.213 1.00 0.00 C ATOM 842 CD2 PHE C 65 4.515 -7.118 2.667 1.00 0.00 C ATOM 843 CE1 PHE C 65 4.978 -5.833 5.115 1.00 0.00 C ATOM 844 CE2 PHE C 65 3.485 -7.009 3.600 1.00 0.00 C ATOM 845 CZ PHE C 65 3.723 -6.352 4.808 1.00 0.00 C ATOM 0 H PHE C 65 8.578 -6.239 3.498 1.00 0.00 H new ATOM 0 HA PHE C 65 7.590 -8.585 2.259 1.00 0.00 H new ATOM 0 HB2 PHE C 65 7.282 -5.582 1.896 1.00 0.00 H new ATOM 0 HB3 PHE C 65 6.385 -6.745 0.941 1.00 0.00 H new ATOM 0 HD1 PHE C 65 7.027 -5.766 4.485 1.00 0.00 H new ATOM 0 HD2 PHE C 65 4.331 -7.588 1.712 1.00 0.00 H new ATOM 0 HE1 PHE C 65 5.140 -5.279 6.027 1.00 0.00 H new ATOM 0 HE2 PHE C 65 2.512 -7.429 3.390 1.00 0.00 H new ATOM 0 HZ PHE C 65 2.917 -6.244 5.519 1.00 0.00 H new HETATM 855 N NH2 C 66 9.541 -6.672 0.479 1.00 0.00 N TER 858 NH2 C 66 HETATM 859 C ACE D 67 7.858 -12.118 5.019 1.00 0.00 C HETATM 860 O ACE D 67 7.623 -13.273 4.759 1.00 0.00 O HETATM 861 CH3 ACE D 67 9.005 -11.782 5.947 1.00 0.00 C HETATM 0 H1 ACE D 67 9.727 -11.156 5.422 1.00 0.00 H new HETATM 0 H2 ACE D 67 8.625 -11.246 6.816 1.00 0.00 H new HETATM 0 H3 ACE D 67 9.491 -12.702 6.272 1.00 0.00 H new ATOM 865 N ALA D 68 7.081 -11.111 4.667 1.00 0.00 N ATOM 866 CA ALA D 68 5.731 -11.197 4.164 1.00 0.00 C ATOM 867 C ALA D 68 4.755 -11.985 5.005 1.00 0.00 C ATOM 868 O ALA D 68 3.623 -12.144 4.595 1.00 0.00 O ATOM 869 CB ALA D 68 5.760 -11.611 2.721 1.00 0.00 C ATOM 0 H ALA D 68 7.403 -10.145 4.731 1.00 0.00 H new ATOM 0 HA ALA D 68 5.312 -10.194 4.240 1.00 0.00 H new ATOM 0 HB1 ALA D 68 4.741 -11.676 2.341 1.00 0.00 H new ATOM 0 HB2 ALA D 68 6.317 -10.874 2.142 1.00 0.00 H new ATOM 0 HB3 ALA D 68 6.244 -12.584 2.631 1.00 0.00 H new ATOM 875 N LYS D 69 5.083 -12.414 6.222 1.00 0.00 N ATOM 876 CA LYS D 69 4.133 -12.903 7.192 1.00 0.00 C ATOM 877 C LYS D 69 3.101 -11.864 7.585 1.00 0.00 C ATOM 878 O LYS D 69 1.948 -12.171 7.826 1.00 0.00 O ATOM 879 CB LYS D 69 4.852 -13.473 8.401 1.00 0.00 C ATOM 880 CG LYS D 69 5.762 -14.631 8.073 1.00 0.00 C ATOM 881 CD LYS D 69 6.616 -15.009 9.037 1.00 0.00 C ATOM 882 CE LYS D 69 7.400 -16.234 8.696 1.00 0.00 C ATOM 883 NZ LYS D 69 8.330 -16.603 9.620 1.00 0.00 N ATOM 0 H LYS D 69 6.045 -12.427 6.560 1.00 0.00 H new ATOM 0 HA LYS D 69 3.573 -13.708 6.716 1.00 0.00 H new ATOM 0 HB2 LYS D 69 5.438 -12.683 8.870 1.00 0.00 H new ATOM 0 HB3 LYS D 69 4.113 -13.799 9.133 1.00 0.00 H new ATOM 0 HG2 LYS D 69 5.143 -15.488 7.809 1.00 0.00 H new ATOM 0 HG3 LYS D 69 6.340 -14.371 7.187 1.00 0.00 H new ATOM 0 HD2 LYS D 69 7.307 -14.191 9.240 1.00 0.00 H new ATOM 0 HD3 LYS D 69 6.057 -15.190 9.955 1.00 0.00 H new ATOM 0 HE2 LYS D 69 6.706 -17.062 8.552 1.00 0.00 H new ATOM 0 HE3 LYS D 69 7.903 -16.070 7.743 1.00 0.00 H new ATOM 0 HZ1 LYS D 69 8.821 -17.461 9.295 1.00 0.00 H new ATOM 0 HZ2 LYS D 69 9.020 -15.835 9.744 1.00 0.00 H new ATOM 0 HZ3 LYS D 69 7.860 -16.796 10.528 1.00 0.00 H new ATOM 897 N ALA D 70 3.498 -10.598 7.540 1.00 0.00 N ATOM 898 CA ALA D 70 2.689 -9.413 7.677 1.00 0.00 C ATOM 899 C ALA D 70 1.705 -9.170 6.550 1.00 0.00 C ATOM 900 O ALA D 70 0.909 -8.255 6.601 1.00 0.00 O ATOM 901 CB ALA D 70 3.645 -8.245 7.836 1.00 0.00 C ATOM 0 H ALA D 70 4.480 -10.364 7.394 1.00 0.00 H new ATOM 0 HA ALA D 70 2.046 -9.541 8.548 1.00 0.00 H new ATOM 0 HB1 ALA D 70 3.076 -7.321 7.944 1.00 0.00 H new ATOM 0 HB2 ALA D 70 4.261 -8.397 8.722 1.00 0.00 H new ATOM 0 HB3 ALA D 70 4.285 -8.176 6.956 1.00 0.00 H new ATOM 907 N ALA D 71 1.717 -9.922 5.465 1.00 0.00 N ATOM 908 CA ALA D 71 1.024 -9.624 4.231 1.00 0.00 C ATOM 909 C ALA D 71 -0.415 -10.065 4.124 1.00 0.00 C ATOM 910 O ALA D 71 -0.972 -9.995 3.040 1.00 0.00 O ATOM 911 CB ALA D 71 1.887 -10.105 3.079 1.00 0.00 C ATOM 0 H ALA D 71 2.236 -10.799 5.421 1.00 0.00 H new ATOM 0 HA ALA D 71 0.899 -8.542 4.200 1.00 0.00 H new ATOM 0 HB1 ALA D 71 1.386 -9.892 2.135 1.00 0.00 H new ATOM 0 HB2 ALA D 71 2.847 -9.590 3.104 1.00 0.00 H new ATOM 0 HB3 ALA D 71 2.049 -11.179 3.169 1.00 0.00 H new ATOM 917 N ALA D 72 -1.046 -10.390 5.243 1.00 0.00 N ATOM 918 CA ALA D 72 -2.458 -10.166 5.411 1.00 0.00 C ATOM 919 C ALA D 72 -2.712 -8.940 6.256 1.00 0.00 C ATOM 920 O ALA D 72 -3.411 -8.041 5.817 1.00 0.00 O ATOM 921 CB ALA D 72 -3.138 -11.419 5.908 1.00 0.00 C ATOM 0 H ALA D 72 -0.589 -10.814 6.051 1.00 0.00 H new ATOM 0 HA ALA D 72 -2.912 -9.948 4.444 1.00 0.00 H new ATOM 0 HB1 ALA D 72 -4.205 -11.230 6.029 1.00 0.00 H new ATOM 0 HB2 ALA D 72 -2.991 -12.223 5.187 1.00 0.00 H new ATOM 0 HB3 ALA D 72 -2.710 -11.709 6.867 1.00 0.00 H new ATOM 927 N ALA D 73 -2.111 -8.842 7.433 1.00 0.00 N ATOM 928 CA ALA D 73 -2.336 -7.814 8.412 1.00 0.00 C ATOM 929 C ALA D 73 -2.107 -6.414 7.899 1.00 0.00 C ATOM 930 O ALA D 73 -2.844 -5.541 8.280 1.00 0.00 O ATOM 931 CB ALA D 73 -1.490 -8.102 9.619 1.00 0.00 C ATOM 0 H ALA D 73 -1.415 -9.522 7.738 1.00 0.00 H new ATOM 0 HA ALA D 73 -3.393 -7.840 8.676 1.00 0.00 H new ATOM 0 HB1 ALA D 73 -1.652 -7.328 10.370 1.00 0.00 H new ATOM 0 HB2 ALA D 73 -1.765 -9.072 10.033 1.00 0.00 H new ATOM 0 HB3 ALA D 73 -0.439 -8.115 9.332 1.00 0.00 H new ATOM 937 N ALA D 74 -1.110 -6.183 7.066 1.00 0.00 N ATOM 938 CA ALA D 74 -0.779 -4.906 6.493 1.00 0.00 C ATOM 939 C ALA D 74 -1.857 -4.454 5.533 1.00 0.00 C ATOM 940 O ALA D 74 -2.285 -3.320 5.500 1.00 0.00 O ATOM 941 CB ALA D 74 0.549 -5.019 5.790 1.00 0.00 C ATOM 0 H ALA D 74 -0.480 -6.925 6.759 1.00 0.00 H new ATOM 0 HA ALA D 74 -0.710 -4.159 7.284 1.00 0.00 H new ATOM 0 HB1 ALA D 74 0.811 -4.056 5.351 1.00 0.00 H new ATOM 0 HB2 ALA D 74 1.316 -5.312 6.507 1.00 0.00 H new ATOM 0 HB3 ALA D 74 0.481 -5.770 5.003 1.00 0.00 H new ATOM 947 N ILE D 75 -2.283 -5.398 4.713 1.00 0.00 N ATOM 948 CA ILE D 75 -3.295 -5.234 3.692 1.00 0.00 C ATOM 949 C ILE D 75 -4.642 -4.920 4.313 1.00 0.00 C ATOM 950 O ILE D 75 -5.305 -3.980 3.895 1.00 0.00 O ATOM 951 CB ILE D 75 -3.414 -6.474 2.820 1.00 0.00 C ATOM 952 CG1 ILE D 75 -2.105 -7.117 2.389 1.00 0.00 C ATOM 953 CG2 ILE D 75 -4.315 -6.119 1.653 1.00 0.00 C ATOM 954 CD1 ILE D 75 -1.260 -6.322 1.410 1.00 0.00 C ATOM 0 H ILE D 75 -1.911 -6.347 4.745 1.00 0.00 H new ATOM 0 HA ILE D 75 -2.985 -4.398 3.065 1.00 0.00 H new ATOM 0 HB ILE D 75 -3.851 -7.267 3.427 1.00 0.00 H new ATOM 0 HG12 ILE D 75 -1.508 -7.309 3.280 1.00 0.00 H new ATOM 0 HG13 ILE D 75 -2.330 -8.085 1.941 1.00 0.00 H new ATOM 0 HG21 ILE D 75 -4.426 -6.986 1.002 1.00 0.00 H new ATOM 0 HG22 ILE D 75 -5.294 -5.819 2.027 1.00 0.00 H new ATOM 0 HG23 ILE D 75 -3.874 -5.296 1.090 1.00 0.00 H new ATOM 0 HD11 ILE D 75 -0.353 -6.879 1.176 1.00 0.00 H new ATOM 0 HD12 ILE D 75 -1.827 -6.151 0.495 1.00 0.00 H new ATOM 0 HD13 ILE D 75 -0.992 -5.364 1.855 1.00 0.00 H new ATOM 966 N LYS D 76 -5.013 -5.676 5.344 1.00 0.00 N ATOM 967 CA LYS D 76 -6.308 -5.564 5.979 1.00 0.00 C ATOM 968 C LYS D 76 -6.515 -4.238 6.686 1.00 0.00 C ATOM 969 O LYS D 76 -7.646 -3.806 6.765 1.00 0.00 O ATOM 970 CB LYS D 76 -6.469 -6.742 6.927 1.00 0.00 C ATOM 971 CG LYS D 76 -6.763 -8.056 6.218 1.00 0.00 C ATOM 972 CD LYS D 76 -6.887 -9.190 7.195 1.00 0.00 C ATOM 973 CE LYS D 76 -7.188 -10.496 6.540 1.00 0.00 C ATOM 974 NZ LYS D 76 -7.266 -11.587 7.430 1.00 0.00 N ATOM 0 H LYS D 76 -4.412 -6.388 5.760 1.00 0.00 H new ATOM 0 HA LYS D 76 -7.080 -5.590 5.210 1.00 0.00 H new ATOM 0 HB2 LYS D 76 -5.558 -6.852 7.515 1.00 0.00 H new ATOM 0 HB3 LYS D 76 -7.277 -6.527 7.627 1.00 0.00 H new ATOM 0 HG2 LYS D 76 -7.686 -7.964 5.646 1.00 0.00 H new ATOM 0 HG3 LYS D 76 -5.967 -8.273 5.506 1.00 0.00 H new ATOM 0 HD2 LYS D 76 -5.959 -9.279 7.759 1.00 0.00 H new ATOM 0 HD3 LYS D 76 -7.675 -8.960 7.912 1.00 0.00 H new ATOM 0 HE2 LYS D 76 -8.133 -10.411 6.004 1.00 0.00 H new ATOM 0 HE3 LYS D 76 -6.418 -10.703 5.797 1.00 0.00 H new ATOM 0 HZ1 LYS D 76 -7.478 -12.455 6.898 1.00 0.00 H new ATOM 0 HZ2 LYS D 76 -6.358 -11.697 7.925 1.00 0.00 H new ATOM 0 HZ3 LYS D 76 -8.020 -11.415 8.125 1.00 0.00 H new ATOM 988 N ALA D 77 -5.447 -3.579 7.129 1.00 0.00 N ATOM 989 CA ALA D 77 -5.444 -2.168 7.426 1.00 0.00 C ATOM 990 C ALA D 77 -5.639 -1.326 6.181 1.00 0.00 C ATOM 991 O ALA D 77 -6.643 -0.638 6.066 1.00 0.00 O ATOM 992 CB ALA D 77 -4.197 -1.817 8.198 1.00 0.00 C ATOM 0 H ALA D 77 -4.546 -4.029 7.291 1.00 0.00 H new ATOM 0 HA ALA D 77 -6.300 -1.934 8.060 1.00 0.00 H new ATOM 0 HB1 ALA D 77 -4.196 -0.750 8.422 1.00 0.00 H new ATOM 0 HB2 ALA D 77 -4.174 -2.383 9.129 1.00 0.00 H new ATOM 0 HB3 ALA D 77 -3.318 -2.064 7.602 1.00 0.00 H new ATOM 998 N ILE D 78 -4.691 -1.379 5.247 1.00 0.00 N ATOM 999 CA ILE D 78 -4.629 -0.489 4.109 1.00 0.00 C ATOM 1000 C ILE D 78 -5.865 -0.529 3.225 1.00 0.00 C ATOM 1001 O ILE D 78 -6.500 0.500 3.042 1.00 0.00 O ATOM 1002 CB ILE D 78 -3.301 -0.561 3.373 1.00 0.00 C ATOM 1003 CG1 ILE D 78 -2.765 0.799 2.986 1.00 0.00 C ATOM 1004 CG2 ILE D 78 -3.265 -1.565 2.238 1.00 0.00 C ATOM 1005 CD1 ILE D 78 -3.296 1.482 1.801 1.00 0.00 C ATOM 0 H ILE D 78 -3.932 -2.060 5.269 1.00 0.00 H new ATOM 0 HA ILE D 78 -4.655 0.521 4.518 1.00 0.00 H new ATOM 0 HB ILE D 78 -2.602 -0.962 4.107 1.00 0.00 H new ATOM 0 HG12 ILE D 78 -2.915 1.462 3.838 1.00 0.00 H new ATOM 0 HG13 ILE D 78 -1.689 0.697 2.847 1.00 0.00 H new ATOM 0 HG21 ILE D 78 -2.281 -1.549 1.769 1.00 0.00 H new ATOM 0 HG22 ILE D 78 -3.465 -2.563 2.628 1.00 0.00 H new ATOM 0 HG23 ILE D 78 -4.023 -1.306 1.499 1.00 0.00 H new ATOM 0 HD11 ILE D 78 -2.795 2.442 1.680 1.00 0.00 H new ATOM 0 HD12 ILE D 78 -3.121 0.867 0.918 1.00 0.00 H new ATOM 0 HD13 ILE D 78 -4.367 1.644 1.924 1.00 0.00 H new ATOM 1017 N ALA D 79 -6.339 -1.701 2.805 1.00 0.00 N ATOM 1018 CA ALA D 79 -7.511 -1.874 1.978 1.00 0.00 C ATOM 1019 C ALA D 79 -8.823 -1.756 2.731 1.00 0.00 C ATOM 1020 O ALA D 79 -9.879 -2.044 2.196 1.00 0.00 O ATOM 1021 CB ALA D 79 -7.359 -3.197 1.248 1.00 0.00 C ATOM 0 H ALA D 79 -5.892 -2.586 3.047 1.00 0.00 H new ATOM 0 HA ALA D 79 -7.568 -1.054 1.262 1.00 0.00 H new ATOM 0 HB1 ALA D 79 -8.228 -3.363 0.611 1.00 0.00 H new ATOM 0 HB2 ALA D 79 -6.459 -3.172 0.634 1.00 0.00 H new ATOM 0 HB3 ALA D 79 -7.281 -4.006 1.974 1.00 0.00 H new ATOM 1027 N ALA D 80 -8.777 -1.164 3.922 1.00 0.00 N ATOM 1028 CA ALA D 80 -9.888 -0.573 4.622 1.00 0.00 C ATOM 1029 C ALA D 80 -9.708 0.921 4.808 1.00 0.00 C ATOM 1030 O ALA D 80 -10.610 1.705 4.583 1.00 0.00 O ATOM 1031 CB ALA D 80 -10.112 -1.245 5.959 1.00 0.00 C ATOM 0 H ALA D 80 -7.905 -1.085 4.446 1.00 0.00 H new ATOM 0 HA ALA D 80 -10.771 -0.729 4.003 1.00 0.00 H new ATOM 0 HB1 ALA D 80 -10.957 -0.777 6.464 1.00 0.00 H new ATOM 0 HB2 ALA D 80 -10.322 -2.303 5.804 1.00 0.00 H new ATOM 0 HB3 ALA D 80 -9.218 -1.139 6.574 1.00 0.00 H new ATOM 1037 N ILE D 81 -8.490 1.389 5.068 1.00 0.00 N ATOM 1038 CA ILE D 81 -8.102 2.781 5.104 1.00 0.00 C ATOM 1039 C ILE D 81 -8.287 3.421 3.740 1.00 0.00 C ATOM 1040 O ILE D 81 -8.668 4.577 3.624 1.00 0.00 O ATOM 1041 CB ILE D 81 -6.674 2.939 5.609 1.00 0.00 C ATOM 1042 CG1 ILE D 81 -6.523 2.412 7.027 1.00 0.00 C ATOM 1043 CG2 ILE D 81 -6.265 4.400 5.601 1.00 0.00 C ATOM 1044 CD1 ILE D 81 -5.126 2.000 7.422 1.00 0.00 C ATOM 0 H ILE D 81 -7.709 0.765 5.270 1.00 0.00 H new ATOM 0 HA ILE D 81 -8.752 3.301 5.807 1.00 0.00 H new ATOM 0 HB ILE D 81 -6.035 2.363 4.940 1.00 0.00 H new ATOM 0 HG12 ILE D 81 -6.866 3.180 7.720 1.00 0.00 H new ATOM 0 HG13 ILE D 81 -7.184 1.554 7.149 1.00 0.00 H new ATOM 0 HG21 ILE D 81 -5.242 4.493 5.965 1.00 0.00 H new ATOM 0 HG22 ILE D 81 -6.326 4.789 4.585 1.00 0.00 H new ATOM 0 HG23 ILE D 81 -6.933 4.968 6.248 1.00 0.00 H new ATOM 0 HD11 ILE D 81 -5.130 1.640 8.451 1.00 0.00 H new ATOM 0 HD12 ILE D 81 -4.780 1.205 6.761 1.00 0.00 H new ATOM 0 HD13 ILE D 81 -4.457 2.857 7.340 1.00 0.00 H new ATOM 1056 N ILE D 82 -8.131 2.668 2.653 1.00 0.00 N ATOM 1057 CA ILE D 82 -8.458 2.976 1.279 1.00 0.00 C ATOM 1058 C ILE D 82 -9.890 3.458 1.107 1.00 0.00 C ATOM 1059 O ILE D 82 -10.189 4.550 0.661 1.00 0.00 O ATOM 1060 CB ILE D 82 -8.190 1.823 0.321 1.00 0.00 C ATOM 1061 CG1 ILE D 82 -6.690 1.572 0.256 1.00 0.00 C ATOM 1062 CG2 ILE D 82 -8.760 2.024 -1.077 1.00 0.00 C ATOM 1063 CD1 ILE D 82 -5.891 2.014 -0.940 1.00 0.00 C ATOM 0 H ILE D 82 -7.731 1.733 2.731 1.00 0.00 H new ATOM 0 HA ILE D 82 -7.784 3.792 1.019 1.00 0.00 H new ATOM 0 HB ILE D 82 -8.713 0.953 0.719 1.00 0.00 H new ATOM 0 HG12 ILE D 82 -6.247 2.046 1.132 1.00 0.00 H new ATOM 0 HG13 ILE D 82 -6.539 0.498 0.364 1.00 0.00 H new ATOM 0 HG21 ILE D 82 -8.524 1.157 -1.694 1.00 0.00 H new ATOM 0 HG22 ILE D 82 -9.842 2.142 -1.015 1.00 0.00 H new ATOM 0 HG23 ILE D 82 -8.323 2.917 -1.523 1.00 0.00 H new ATOM 0 HD11 ILE D 82 -4.844 1.746 -0.798 1.00 0.00 H new ATOM 0 HD12 ILE D 82 -6.273 1.522 -1.835 1.00 0.00 H new ATOM 0 HD13 ILE D 82 -5.976 3.095 -1.055 1.00 0.00 H new ATOM 1075 N LYS D 83 -10.789 2.607 1.571 1.00 0.00 N ATOM 1076 CA LYS D 83 -12.222 2.686 1.447 1.00 0.00 C ATOM 1077 C LYS D 83 -12.835 3.828 2.229 1.00 0.00 C ATOM 1078 O LYS D 83 -13.792 4.418 1.794 1.00 0.00 O ATOM 1079 CB LYS D 83 -12.671 1.340 1.982 1.00 0.00 C ATOM 1080 CG LYS D 83 -12.214 0.180 1.147 1.00 0.00 C ATOM 1081 CD LYS D 83 -12.991 -1.065 1.430 1.00 0.00 C ATOM 1082 CE LYS D 83 -12.606 -2.153 0.513 1.00 0.00 C ATOM 1083 NZ LYS D 83 -13.154 -3.373 0.731 1.00 0.00 N ATOM 0 H LYS D 83 -10.503 1.775 2.087 1.00 0.00 H new ATOM 0 HA LYS D 83 -12.537 2.888 0.423 1.00 0.00 H new ATOM 0 HB2 LYS D 83 -12.294 1.217 2.997 1.00 0.00 H new ATOM 0 HB3 LYS D 83 -13.759 1.327 2.043 1.00 0.00 H new ATOM 0 HG2 LYS D 83 -12.312 0.434 0.092 1.00 0.00 H new ATOM 0 HG3 LYS D 83 -11.156 -0.005 1.334 1.00 0.00 H new ATOM 0 HD2 LYS D 83 -12.821 -1.377 2.460 1.00 0.00 H new ATOM 0 HD3 LYS D 83 -14.057 -0.862 1.330 1.00 0.00 H new ATOM 0 HE2 LYS D 83 -12.861 -1.845 -0.501 1.00 0.00 H new ATOM 0 HE3 LYS D 83 -11.522 -2.259 0.551 1.00 0.00 H new ATOM 0 HZ1 LYS D 83 -12.801 -4.044 0.019 1.00 0.00 H new ATOM 0 HZ2 LYS D 83 -12.892 -3.706 1.681 1.00 0.00 H new ATOM 0 HZ3 LYS D 83 -14.189 -3.306 0.661 1.00 0.00 H new ATOM 1097 N ALA D 84 -12.230 4.115 3.372 1.00 0.00 N ATOM 1098 CA ALA D 84 -12.428 5.256 4.223 1.00 0.00 C ATOM 1099 C ALA D 84 -11.836 6.520 3.662 1.00 0.00 C ATOM 1100 O ALA D 84 -12.456 7.558 3.713 1.00 0.00 O ATOM 1101 CB ALA D 84 -11.917 4.954 5.604 1.00 0.00 C ATOM 0 H ALA D 84 -11.522 3.488 3.754 1.00 0.00 H new ATOM 0 HA ALA D 84 -13.500 5.446 4.280 1.00 0.00 H new ATOM 0 HB1 ALA D 84 -12.069 5.822 6.246 1.00 0.00 H new ATOM 0 HB2 ALA D 84 -12.457 4.101 6.013 1.00 0.00 H new ATOM 0 HB3 ALA D 84 -10.853 4.721 5.555 1.00 0.00 H new ATOM 1107 N GLY D 85 -10.662 6.426 3.058 1.00 0.00 N ATOM 1108 CA GLY D 85 -9.918 7.515 2.501 1.00 0.00 C ATOM 1109 C GLY D 85 -10.478 8.045 1.221 1.00 0.00 C ATOM 1110 O GLY D 85 -10.372 9.186 0.989 1.00 0.00 O ATOM 0 H GLY D 85 -10.187 5.531 2.943 1.00 0.00 H new ATOM 0 HA2 GLY D 85 -9.878 8.324 3.230 1.00 0.00 H new ATOM 0 HA3 GLY D 85 -8.892 7.190 2.329 1.00 0.00 H new ATOM 1114 N GLY D 86 -11.107 7.239 0.421 1.00 0.00 N ATOM 1115 CA GLY D 86 -11.861 7.595 -0.726 1.00 0.00 C ATOM 1116 C GLY D 86 -11.093 7.479 -2.025 1.00 0.00 C ATOM 1117 O GLY D 86 -11.604 7.888 -3.053 1.00 0.00 O ATOM 0 H GLY D 86 -11.100 6.231 0.574 1.00 0.00 H new ATOM 0 HA2 GLY D 86 -12.745 6.959 -0.780 1.00 0.00 H new ATOM 0 HA3 GLY D 86 -12.213 8.621 -0.614 1.00 0.00 H new ATOM 1121 N PHE D 87 -9.882 6.954 -1.988 1.00 0.00 N ATOM 1122 CA PHE D 87 -9.023 6.834 -3.132 1.00 0.00 C ATOM 1123 C PHE D 87 -9.639 5.991 -4.204 1.00 0.00 C ATOM 1124 O PHE D 87 -9.887 6.432 -5.293 1.00 0.00 O ATOM 1125 CB PHE D 87 -7.672 6.265 -2.737 1.00 0.00 C ATOM 1126 CG PHE D 87 -7.060 6.649 -1.414 1.00 0.00 C ATOM 1127 CD1 PHE D 87 -6.171 7.713 -1.279 1.00 0.00 C ATOM 1128 CD2 PHE D 87 -7.295 5.813 -0.327 1.00 0.00 C ATOM 1129 CE1 PHE D 87 -5.449 7.848 -0.093 1.00 0.00 C ATOM 1130 CE2 PHE D 87 -6.566 5.929 0.857 1.00 0.00 C ATOM 1131 CZ PHE D 87 -5.608 6.941 0.949 1.00 0.00 C ATOM 0 H PHE D 87 -9.465 6.591 -1.131 1.00 0.00 H new ATOM 0 HA PHE D 87 -8.882 7.838 -3.532 1.00 0.00 H new ATOM 0 HB2 PHE D 87 -7.758 5.179 -2.753 1.00 0.00 H new ATOM 0 HB3 PHE D 87 -6.962 6.540 -3.517 1.00 0.00 H new ATOM 0 HD1 PHE D 87 -6.042 8.424 -2.082 1.00 0.00 H new ATOM 0 HD2 PHE D 87 -8.061 5.055 -0.402 1.00 0.00 H new ATOM 0 HE1 PHE D 87 -4.756 8.669 0.018 1.00 0.00 H new ATOM 0 HE2 PHE D 87 -6.738 5.253 1.682 1.00 0.00 H new ATOM 0 HZ PHE D 87 -4.990 7.019 1.831 1.00 0.00 H new HETATM 1141 N NH2 D 88 -9.909 4.751 -3.920 1.00 0.00 N TER 1144 NH2 D 88