USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=0 USER MOD reduce.3.24.130724 removed 612 hydrogens (20 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 1 3.291 12.600 -1.205 1.00 0.00 C HETATM 2 O ACE A 1 3.591 11.953 -2.192 1.00 0.00 O HETATM 3 CH3 ACE A 1 4.226 13.605 -0.583 1.00 0.00 C HETATM 0 H1 ACE A 1 3.761 14.591 -0.595 1.00 0.00 H new HETATM 0 H2 ACE A 1 4.438 13.316 0.446 1.00 0.00 H new HETATM 0 H3 ACE A 1 5.156 13.636 -1.150 1.00 0.00 H new ATOM 7 N ALA A 2 2.101 12.546 -0.662 1.00 0.00 N ATOM 8 CA ALA A 2 0.944 11.953 -1.278 1.00 0.00 C ATOM 9 C ALA A 2 0.547 12.571 -2.578 1.00 0.00 C ATOM 10 O ALA A 2 -0.414 12.134 -3.170 1.00 0.00 O ATOM 11 CB ALA A 2 -0.159 11.981 -0.272 1.00 0.00 C ATOM 0 H ALA A 2 1.905 12.931 0.262 1.00 0.00 H new ATOM 0 HA ALA A 2 1.187 10.928 -1.559 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -1.057 11.538 -0.704 1.00 0.00 H new ATOM 0 HB2 ALA A 2 0.138 11.413 0.609 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -0.365 13.013 0.014 1.00 0.00 H new ATOM 17 N LYS A 3 1.280 13.544 -3.094 1.00 0.00 N ATOM 18 CA LYS A 3 1.257 13.918 -4.480 1.00 0.00 C ATOM 19 C LYS A 3 1.405 12.742 -5.427 1.00 0.00 C ATOM 20 O LYS A 3 0.785 12.742 -6.472 1.00 0.00 O ATOM 21 CB LYS A 3 2.319 14.958 -4.718 1.00 0.00 C ATOM 22 CG LYS A 3 2.186 16.238 -3.974 1.00 0.00 C ATOM 23 CD LYS A 3 3.277 17.172 -4.172 1.00 0.00 C ATOM 24 CE LYS A 3 3.230 18.414 -3.356 1.00 0.00 C ATOM 25 NZ LYS A 3 4.291 19.231 -3.505 1.00 0.00 N ATOM 0 H LYS A 3 1.923 14.106 -2.536 1.00 0.00 H new ATOM 0 HA LYS A 3 0.273 14.332 -4.700 1.00 0.00 H new ATOM 0 HB2 LYS A 3 3.285 14.519 -4.468 1.00 0.00 H new ATOM 0 HB3 LYS A 3 2.338 15.186 -5.784 1.00 0.00 H new ATOM 0 HG2 LYS A 3 1.255 16.720 -4.272 1.00 0.00 H new ATOM 0 HG3 LYS A 3 2.104 16.017 -2.910 1.00 0.00 H new ATOM 0 HD2 LYS A 3 4.213 16.656 -3.959 1.00 0.00 H new ATOM 0 HD3 LYS A 3 3.301 17.454 -5.225 1.00 0.00 H new ATOM 0 HE2 LYS A 3 2.326 18.966 -3.613 1.00 0.00 H new ATOM 0 HE3 LYS A 3 3.147 18.138 -2.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 4.172 20.068 -2.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 5.159 18.727 -3.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 4.363 19.529 -4.499 1.00 0.00 H new ATOM 39 N ALA A 4 2.222 11.754 -5.085 1.00 0.00 N ATOM 40 CA ALA A 4 2.422 10.487 -5.744 1.00 0.00 C ATOM 41 C ALA A 4 1.352 9.436 -5.523 1.00 0.00 C ATOM 42 O ALA A 4 1.476 8.331 -6.024 1.00 0.00 O ATOM 43 CB ALA A 4 3.720 9.957 -5.200 1.00 0.00 C ATOM 0 H ALA A 4 2.814 11.836 -4.259 1.00 0.00 H new ATOM 0 HA ALA A 4 2.401 10.673 -6.818 1.00 0.00 H new ATOM 0 HB1 ALA A 4 3.939 8.992 -5.657 1.00 0.00 H new ATOM 0 HB2 ALA A 4 4.523 10.657 -5.429 1.00 0.00 H new ATOM 0 HB3 ALA A 4 3.640 9.837 -4.120 1.00 0.00 H new ATOM 49 N ALA A 5 0.339 9.699 -4.710 1.00 0.00 N ATOM 50 CA ALA A 5 -0.510 8.655 -4.193 1.00 0.00 C ATOM 51 C ALA A 5 -1.410 7.985 -5.215 1.00 0.00 C ATOM 52 O ALA A 5 -1.409 6.773 -5.255 1.00 0.00 O ATOM 53 CB ALA A 5 -1.294 9.175 -3.009 1.00 0.00 C ATOM 0 H ALA A 5 0.090 10.637 -4.397 1.00 0.00 H new ATOM 0 HA ALA A 5 0.158 7.854 -3.875 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -1.935 8.383 -2.621 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -0.604 9.499 -2.230 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -1.909 10.019 -3.322 1.00 0.00 H new ATOM 59 N ALA A 6 -2.090 8.712 -6.091 1.00 0.00 N ATOM 60 CA ALA A 6 -2.867 8.124 -7.151 1.00 0.00 C ATOM 61 C ALA A 6 -2.073 7.123 -7.968 1.00 0.00 C ATOM 62 O ALA A 6 -2.477 5.992 -8.105 1.00 0.00 O ATOM 63 CB ALA A 6 -3.478 9.205 -8.014 1.00 0.00 C ATOM 0 H ALA A 6 -2.112 9.732 -6.078 1.00 0.00 H new ATOM 0 HA ALA A 6 -3.676 7.555 -6.693 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -4.063 8.747 -8.812 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -4.126 9.834 -7.404 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -2.686 9.814 -8.449 1.00 0.00 H new ATOM 69 N ALA A 7 -0.877 7.485 -8.404 1.00 0.00 N ATOM 70 CA ALA A 7 0.065 6.673 -9.128 1.00 0.00 C ATOM 71 C ALA A 7 0.502 5.431 -8.384 1.00 0.00 C ATOM 72 O ALA A 7 0.673 4.396 -9.004 1.00 0.00 O ATOM 73 CB ALA A 7 1.242 7.520 -9.538 1.00 0.00 C ATOM 0 H ALA A 7 -0.521 8.427 -8.244 1.00 0.00 H new ATOM 0 HA ALA A 7 -0.445 6.298 -10.016 1.00 0.00 H new ATOM 0 HB1 ALA A 7 1.957 6.908 -10.087 1.00 0.00 H new ATOM 0 HB2 ALA A 7 0.899 8.336 -10.175 1.00 0.00 H new ATOM 0 HB3 ALA A 7 1.722 7.930 -8.650 1.00 0.00 H new ATOM 79 N ALA A 8 0.669 5.473 -7.067 1.00 0.00 N ATOM 80 CA ALA A 8 1.059 4.310 -6.312 1.00 0.00 C ATOM 81 C ALA A 8 -0.091 3.355 -6.076 1.00 0.00 C ATOM 82 O ALA A 8 -0.014 2.163 -6.285 1.00 0.00 O ATOM 83 CB ALA A 8 1.611 4.804 -4.990 1.00 0.00 C ATOM 0 H ALA A 8 0.536 6.313 -6.504 1.00 0.00 H new ATOM 0 HA ALA A 8 1.804 3.748 -6.876 1.00 0.00 H new ATOM 0 HB1 ALA A 8 1.920 3.952 -4.384 1.00 0.00 H new ATOM 0 HB2 ALA A 8 2.470 5.450 -5.173 1.00 0.00 H new ATOM 0 HB3 ALA A 8 0.841 5.366 -4.461 1.00 0.00 H new ATOM 89 N ILE A 9 -1.199 3.917 -5.610 1.00 0.00 N ATOM 90 CA ILE A 9 -2.339 3.229 -5.053 1.00 0.00 C ATOM 91 C ILE A 9 -3.173 2.582 -6.144 1.00 0.00 C ATOM 92 O ILE A 9 -3.706 1.502 -5.925 1.00 0.00 O ATOM 93 CB ILE A 9 -3.177 4.198 -4.237 1.00 0.00 C ATOM 94 CG1 ILE A 9 -2.391 4.953 -3.178 1.00 0.00 C ATOM 95 CG2 ILE A 9 -4.362 3.429 -3.671 1.00 0.00 C ATOM 96 CD1 ILE A 9 -2.191 4.257 -1.844 1.00 0.00 C ATOM 0 H ILE A 9 -1.326 4.929 -5.615 1.00 0.00 H new ATOM 0 HA ILE A 9 -1.980 2.435 -4.398 1.00 0.00 H new ATOM 0 HB ILE A 9 -3.534 4.993 -4.891 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -1.409 5.189 -3.588 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -2.895 5.902 -2.993 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -4.983 4.101 -3.079 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -4.952 3.016 -4.489 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -4.001 2.618 -3.039 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -1.616 4.902 -1.180 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -3.161 4.046 -1.394 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -1.652 3.322 -1.998 1.00 0.00 H new ATOM 108 N LYS A 10 -3.256 3.203 -7.315 1.00 0.00 N ATOM 109 CA LYS A 10 -4.038 2.717 -8.430 1.00 0.00 C ATOM 110 C LYS A 10 -3.436 1.479 -9.068 1.00 0.00 C ATOM 111 O LYS A 10 -4.147 0.700 -9.678 1.00 0.00 O ATOM 112 CB LYS A 10 -4.177 3.829 -9.458 1.00 0.00 C ATOM 113 CG LYS A 10 -5.229 4.850 -9.055 1.00 0.00 C ATOM 114 CD LYS A 10 -5.390 5.963 -10.071 1.00 0.00 C ATOM 115 CE LYS A 10 -6.126 5.491 -11.311 1.00 0.00 C ATOM 116 NZ LYS A 10 -6.248 6.557 -12.281 1.00 0.00 N ATOM 0 H LYS A 10 -2.768 4.077 -7.513 1.00 0.00 H new ATOM 0 HA LYS A 10 -5.018 2.426 -8.053 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -3.216 4.329 -9.583 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -4.441 3.399 -10.424 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -6.186 4.345 -8.922 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -4.959 5.281 -8.091 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -5.934 6.792 -9.619 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -4.408 6.342 -10.353 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -5.594 4.650 -11.755 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -7.117 5.131 -11.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -6.755 6.207 -13.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -6.776 7.349 -11.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -5.301 6.882 -12.560 1.00 0.00 H new ATOM 130 N ALA A 11 -2.146 1.255 -8.870 1.00 0.00 N ATOM 131 CA ALA A 11 -1.579 -0.056 -9.084 1.00 0.00 C ATOM 132 C ALA A 11 -2.034 -0.998 -7.987 1.00 0.00 C ATOM 133 O ALA A 11 -2.711 -1.982 -8.251 1.00 0.00 O ATOM 134 CB ALA A 11 -0.065 0.049 -9.163 1.00 0.00 C ATOM 0 H ALA A 11 -1.480 1.964 -8.563 1.00 0.00 H new ATOM 0 HA ALA A 11 -1.930 -0.466 -10.031 1.00 0.00 H new ATOM 0 HB1 ALA A 11 0.360 -0.941 -9.324 1.00 0.00 H new ATOM 0 HB2 ALA A 11 0.212 0.702 -9.991 1.00 0.00 H new ATOM 0 HB3 ALA A 11 0.320 0.462 -8.231 1.00 0.00 H new ATOM 140 N ILE A 12 -1.704 -0.738 -6.722 1.00 0.00 N ATOM 141 CA ILE A 12 -1.862 -1.717 -5.671 1.00 0.00 C ATOM 142 C ILE A 12 -3.310 -2.103 -5.437 1.00 0.00 C ATOM 143 O ILE A 12 -3.571 -3.299 -5.393 1.00 0.00 O ATOM 144 CB ILE A 12 -1.071 -1.338 -4.429 1.00 0.00 C ATOM 145 CG1 ILE A 12 -1.028 -2.511 -3.538 1.00 0.00 C ATOM 146 CG2 ILE A 12 -1.661 -0.205 -3.683 1.00 0.00 C ATOM 147 CD1 ILE A 12 -0.218 -2.502 -2.269 1.00 0.00 C ATOM 0 H ILE A 12 -1.323 0.154 -6.408 1.00 0.00 H new ATOM 0 HA ILE A 12 -1.411 -2.650 -6.009 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.079 -1.026 -4.755 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -2.057 -2.733 -3.256 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -0.673 -3.351 -4.135 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -1.048 0.014 -2.809 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.701 0.673 -4.327 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -2.670 -0.466 -3.363 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.324 -3.461 -1.763 1.00 0.00 H new ATOM 0 HD12 ILE A 12 0.832 -2.332 -2.509 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -0.574 -1.706 -1.616 1.00 0.00 H new ATOM 159 N ALA A 13 -4.274 -1.185 -5.396 1.00 0.00 N ATOM 160 CA ALA A 13 -5.642 -1.597 -5.200 1.00 0.00 C ATOM 161 C ALA A 13 -6.203 -2.436 -6.334 1.00 0.00 C ATOM 162 O ALA A 13 -7.077 -3.251 -6.087 1.00 0.00 O ATOM 163 CB ALA A 13 -6.508 -0.371 -4.949 1.00 0.00 C ATOM 0 H ALA A 13 -4.130 -0.180 -5.494 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.654 -2.251 -4.328 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -7.543 -0.680 -4.801 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -6.154 0.149 -4.059 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -6.449 0.298 -5.807 1.00 0.00 H new ATOM 169 N ALA A 14 -5.683 -2.285 -7.546 1.00 0.00 N ATOM 170 CA ALA A 14 -6.032 -3.113 -8.677 1.00 0.00 C ATOM 171 C ALA A 14 -5.362 -4.472 -8.651 1.00 0.00 C ATOM 172 O ALA A 14 -5.982 -5.471 -8.962 1.00 0.00 O ATOM 173 CB ALA A 14 -5.749 -2.347 -9.953 1.00 0.00 C ATOM 0 H ALA A 14 -4.993 -1.567 -7.767 1.00 0.00 H new ATOM 0 HA ALA A 14 -7.098 -3.336 -8.625 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -6.009 -2.964 -10.813 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -6.343 -1.434 -9.968 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -4.690 -2.092 -9.997 1.00 0.00 H new ATOM 179 N ILE A 15 -4.118 -4.524 -8.210 1.00 0.00 N ATOM 180 CA ILE A 15 -3.360 -5.732 -7.999 1.00 0.00 C ATOM 181 C ILE A 15 -3.911 -6.528 -6.832 1.00 0.00 C ATOM 182 O ILE A 15 -4.077 -7.729 -6.934 1.00 0.00 O ATOM 183 CB ILE A 15 -1.880 -5.423 -7.852 1.00 0.00 C ATOM 184 CG1 ILE A 15 -1.276 -4.760 -9.071 1.00 0.00 C ATOM 185 CG2 ILE A 15 -1.093 -6.685 -7.597 1.00 0.00 C ATOM 186 CD1 ILE A 15 -0.032 -3.936 -8.802 1.00 0.00 C ATOM 0 H ILE A 15 -3.589 -3.683 -7.980 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.464 -6.364 -8.881 1.00 0.00 H new ATOM 0 HB ILE A 15 -1.818 -4.733 -7.011 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -1.032 -5.531 -9.802 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -2.029 -4.116 -9.526 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -0.036 -6.440 -7.495 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -1.447 -7.155 -6.679 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.227 -7.373 -8.432 1.00 0.00 H new ATOM 0 HD11 ILE A 15 0.326 -3.502 -9.736 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -0.269 -3.138 -8.098 1.00 0.00 H new ATOM 0 HD13 ILE A 15 0.743 -4.575 -8.378 1.00 0.00 H new ATOM 198 N ILE A 16 -4.375 -5.882 -5.769 1.00 0.00 N ATOM 199 CA ILE A 16 -5.146 -6.398 -4.665 1.00 0.00 C ATOM 200 C ILE A 16 -6.402 -7.137 -5.071 1.00 0.00 C ATOM 201 O ILE A 16 -6.590 -8.263 -4.637 1.00 0.00 O ATOM 202 CB ILE A 16 -5.391 -5.333 -3.606 1.00 0.00 C ATOM 203 CG1 ILE A 16 -4.075 -5.208 -2.855 1.00 0.00 C ATOM 204 CG2 ILE A 16 -6.476 -5.652 -2.595 1.00 0.00 C ATOM 205 CD1 ILE A 16 -4.037 -4.241 -1.688 1.00 0.00 C ATOM 0 H ILE A 16 -4.198 -4.884 -5.656 1.00 0.00 H new ATOM 0 HA ILE A 16 -4.527 -7.169 -4.207 1.00 0.00 H new ATOM 0 HB ILE A 16 -5.731 -4.430 -4.113 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -3.801 -6.196 -2.485 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -3.306 -4.910 -3.567 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -6.568 -4.828 -1.888 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -7.425 -5.794 -3.112 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -6.216 -6.564 -2.058 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -3.043 -4.248 -1.242 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -4.269 -3.236 -2.041 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -4.772 -4.542 -0.942 1.00 0.00 H new ATOM 217 N LYS A 17 -7.199 -6.532 -5.946 1.00 0.00 N ATOM 218 CA LYS A 17 -8.388 -7.118 -6.516 1.00 0.00 C ATOM 219 C LYS A 17 -8.069 -8.374 -7.301 1.00 0.00 C ATOM 220 O LYS A 17 -8.876 -9.276 -7.302 1.00 0.00 O ATOM 221 CB LYS A 17 -9.102 -6.040 -7.301 1.00 0.00 C ATOM 222 CG LYS A 17 -10.259 -6.491 -8.164 1.00 0.00 C ATOM 223 CD LYS A 17 -11.461 -7.015 -7.429 1.00 0.00 C ATOM 224 CE LYS A 17 -12.325 -5.987 -6.899 1.00 0.00 C ATOM 225 NZ LYS A 17 -13.526 -6.480 -6.282 1.00 0.00 N ATOM 0 H LYS A 17 -7.020 -5.586 -6.284 1.00 0.00 H new ATOM 0 HA LYS A 17 -9.068 -7.468 -5.740 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -9.471 -5.293 -6.598 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -8.372 -5.543 -7.940 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -10.574 -5.651 -8.784 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -9.902 -7.269 -8.839 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -12.038 -7.647 -8.104 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -11.124 -7.649 -6.609 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -11.768 -5.403 -6.166 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -12.598 -5.307 -7.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -14.089 -5.680 -5.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -14.082 -7.012 -6.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -13.277 -7.105 -5.489 1.00 0.00 H new ATOM 239 N ALA A 18 -6.882 -8.504 -7.877 1.00 0.00 N ATOM 240 CA ALA A 18 -6.442 -9.701 -8.543 1.00 0.00 C ATOM 241 C ALA A 18 -5.893 -10.735 -7.583 1.00 0.00 C ATOM 242 O ALA A 18 -6.284 -11.866 -7.669 1.00 0.00 O ATOM 243 CB ALA A 18 -5.455 -9.324 -9.632 1.00 0.00 C ATOM 0 H ALA A 18 -6.188 -7.756 -7.889 1.00 0.00 H new ATOM 0 HA ALA A 18 -7.303 -10.185 -9.005 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -5.115 -10.225 -10.143 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -5.940 -8.661 -10.349 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -4.600 -8.815 -9.188 1.00 0.00 H new ATOM 249 N GLY A 19 -5.042 -10.330 -6.661 1.00 0.00 N ATOM 250 CA GLY A 19 -4.380 -11.177 -5.702 1.00 0.00 C ATOM 251 C GLY A 19 -5.287 -11.823 -4.686 1.00 0.00 C ATOM 252 O GLY A 19 -5.220 -12.999 -4.465 1.00 0.00 O ATOM 0 H GLY A 19 -4.784 -9.349 -6.560 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -3.846 -11.961 -6.240 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -3.631 -10.586 -5.174 1.00 0.00 H new ATOM 256 N GLY A 20 -6.173 -11.031 -4.119 1.00 0.00 N ATOM 257 CA GLY A 20 -7.077 -11.507 -3.114 1.00 0.00 C ATOM 258 C GLY A 20 -6.521 -11.469 -1.718 1.00 0.00 C ATOM 259 O GLY A 20 -6.600 -12.403 -0.969 1.00 0.00 O ATOM 0 H GLY A 20 -6.280 -10.043 -4.347 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -7.987 -10.908 -3.147 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -7.361 -12.532 -3.352 1.00 0.00 H new ATOM 263 N PHE A 21 -5.867 -10.394 -1.356 1.00 0.00 N ATOM 264 CA PHE A 21 -5.183 -10.165 -0.110 1.00 0.00 C ATOM 265 C PHE A 21 -6.055 -10.141 1.110 1.00 0.00 C ATOM 266 O PHE A 21 -5.772 -10.810 2.065 1.00 0.00 O ATOM 267 CB PHE A 21 -4.417 -8.860 -0.193 1.00 0.00 C ATOM 268 CG PHE A 21 -3.273 -8.849 -1.169 1.00 0.00 C ATOM 269 CD1 PHE A 21 -3.520 -8.668 -2.531 1.00 0.00 C ATOM 270 CD2 PHE A 21 -1.955 -8.856 -0.716 1.00 0.00 C ATOM 271 CE1 PHE A 21 -2.494 -8.347 -3.419 1.00 0.00 C ATOM 272 CE2 PHE A 21 -0.906 -8.616 -1.606 1.00 0.00 C ATOM 273 CZ PHE A 21 -1.185 -8.343 -2.941 1.00 0.00 C ATOM 0 H PHE A 21 -5.794 -9.590 -1.979 1.00 0.00 H new ATOM 0 HA PHE A 21 -4.524 -11.024 0.018 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -5.113 -8.066 -0.464 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -4.031 -8.621 0.798 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -4.527 -8.779 -2.905 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -1.744 -9.047 0.326 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -2.708 -8.108 -4.450 1.00 0.00 H new ATOM 0 HE2 PHE A 21 0.117 -8.642 -1.260 1.00 0.00 H new ATOM 0 HZ PHE A 21 -0.373 -8.124 -3.619 1.00 0.00 H new HETATM 283 N NH2 A 22 -7.076 -9.313 1.126 1.00 0.00 N TER 286 NH2 A 22 HETATM 287 C ACE B 23 -2.314 -13.748 -1.958 1.00 0.00 C HETATM 288 O ACE B 23 -1.993 -12.971 -2.832 1.00 0.00 O HETATM 289 CH3 ACE B 23 -3.463 -14.701 -2.193 1.00 0.00 C HETATM 0 H1 ACE B 23 -3.108 -15.728 -2.106 1.00 0.00 H new HETATM 0 H2 ACE B 23 -4.241 -14.522 -1.451 1.00 0.00 H new HETATM 0 H3 ACE B 23 -3.870 -14.541 -3.191 1.00 0.00 H new ATOM 293 N ALA B 24 -1.623 -13.892 -0.840 1.00 0.00 N ATOM 294 CA ALA B 24 -0.359 -13.250 -0.570 1.00 0.00 C ATOM 295 C ALA B 24 0.760 -13.632 -1.509 1.00 0.00 C ATOM 296 O ALA B 24 1.842 -13.070 -1.460 1.00 0.00 O ATOM 297 CB ALA B 24 0.020 -13.496 0.859 1.00 0.00 C ATOM 0 H ALA B 24 -1.943 -14.481 -0.071 1.00 0.00 H new ATOM 0 HA ALA B 24 -0.505 -12.185 -0.749 1.00 0.00 H new ATOM 0 HB1 ALA B 24 0.974 -13.014 1.070 1.00 0.00 H new ATOM 0 HB2 ALA B 24 -0.747 -13.085 1.515 1.00 0.00 H new ATOM 0 HB3 ALA B 24 0.109 -14.568 1.032 1.00 0.00 H new ATOM 303 N LYS B 25 0.523 -14.526 -2.460 1.00 0.00 N ATOM 304 CA LYS B 25 1.350 -14.736 -3.616 1.00 0.00 C ATOM 305 C LYS B 25 1.735 -13.466 -4.339 1.00 0.00 C ATOM 306 O LYS B 25 2.832 -13.385 -4.821 1.00 0.00 O ATOM 307 CB LYS B 25 0.673 -15.700 -4.565 1.00 0.00 C ATOM 308 CG LYS B 25 0.594 -17.101 -4.093 1.00 0.00 C ATOM 309 CD LYS B 25 0.016 -18.055 -5.110 1.00 0.00 C ATOM 310 CE LYS B 25 0.108 -19.469 -4.761 1.00 0.00 C ATOM 311 NZ LYS B 25 -0.406 -20.371 -5.771 1.00 0.00 N ATOM 0 H LYS B 25 -0.287 -15.145 -2.435 1.00 0.00 H new ATOM 0 HA LYS B 25 2.285 -15.161 -3.250 1.00 0.00 H new ATOM 0 HB2 LYS B 25 -0.338 -15.342 -4.761 1.00 0.00 H new ATOM 0 HB3 LYS B 25 1.206 -15.684 -5.515 1.00 0.00 H new ATOM 0 HG2 LYS B 25 1.593 -17.439 -3.819 1.00 0.00 H new ATOM 0 HG3 LYS B 25 -0.014 -17.136 -3.189 1.00 0.00 H new ATOM 0 HD2 LYS B 25 -1.033 -17.803 -5.265 1.00 0.00 H new ATOM 0 HD3 LYS B 25 0.525 -17.899 -6.061 1.00 0.00 H new ATOM 0 HE2 LYS B 25 1.152 -19.716 -4.569 1.00 0.00 H new ATOM 0 HE3 LYS B 25 -0.435 -19.637 -3.831 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 -0.303 -21.353 -5.444 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 -1.411 -20.166 -5.940 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 0.127 -20.242 -6.655 1.00 0.00 H new ATOM 325 N ALA B 26 0.840 -12.505 -4.378 1.00 0.00 N ATOM 326 CA ALA B 26 0.955 -11.201 -4.982 1.00 0.00 C ATOM 327 C ALA B 26 1.711 -10.177 -4.158 1.00 0.00 C ATOM 328 O ALA B 26 1.885 -9.051 -4.589 1.00 0.00 O ATOM 329 CB ALA B 26 -0.481 -10.771 -5.229 1.00 0.00 C ATOM 0 H ALA B 26 -0.075 -12.632 -3.945 1.00 0.00 H new ATOM 0 HA ALA B 26 1.553 -11.262 -5.891 1.00 0.00 H new ATOM 0 HB1 ALA B 26 -0.491 -9.783 -5.690 1.00 0.00 H new ATOM 0 HB2 ALA B 26 -0.966 -11.486 -5.894 1.00 0.00 H new ATOM 0 HB3 ALA B 26 -1.018 -10.735 -4.281 1.00 0.00 H new ATOM 335 N ALA B 27 2.188 -10.506 -2.962 1.00 0.00 N ATOM 336 CA ALA B 27 2.646 -9.547 -1.983 1.00 0.00 C ATOM 337 C ALA B 27 4.086 -9.101 -2.074 1.00 0.00 C ATOM 338 O ALA B 27 4.524 -8.335 -1.232 1.00 0.00 O ATOM 339 CB ALA B 27 2.297 -10.097 -0.616 1.00 0.00 C ATOM 0 H ALA B 27 2.266 -11.473 -2.646 1.00 0.00 H new ATOM 0 HA ALA B 27 2.127 -8.612 -2.194 1.00 0.00 H new ATOM 0 HB1 ALA B 27 2.628 -9.399 0.153 1.00 0.00 H new ATOM 0 HB2 ALA B 27 1.218 -10.232 -0.543 1.00 0.00 H new ATOM 0 HB3 ALA B 27 2.793 -11.057 -0.472 1.00 0.00 H new ATOM 345 N ALA B 28 4.835 -9.494 -3.093 1.00 0.00 N ATOM 346 CA ALA B 28 5.952 -8.730 -3.590 1.00 0.00 C ATOM 347 C ALA B 28 5.521 -7.787 -4.690 1.00 0.00 C ATOM 348 O ALA B 28 5.693 -6.581 -4.594 1.00 0.00 O ATOM 349 CB ALA B 28 7.052 -9.687 -3.980 1.00 0.00 C ATOM 0 H ALA B 28 4.676 -10.365 -3.600 1.00 0.00 H new ATOM 0 HA ALA B 28 6.352 -8.077 -2.815 1.00 0.00 H new ATOM 0 HB1 ALA B 28 7.906 -9.125 -4.359 1.00 0.00 H new ATOM 0 HB2 ALA B 28 7.356 -10.266 -3.108 1.00 0.00 H new ATOM 0 HB3 ALA B 28 6.689 -10.362 -4.755 1.00 0.00 H new ATOM 355 N ALA B 29 4.896 -8.343 -5.721 1.00 0.00 N ATOM 356 CA ALA B 29 4.489 -7.683 -6.934 1.00 0.00 C ATOM 357 C ALA B 29 3.584 -6.485 -6.710 1.00 0.00 C ATOM 358 O ALA B 29 3.728 -5.467 -7.368 1.00 0.00 O ATOM 359 CB ALA B 29 3.856 -8.704 -7.862 1.00 0.00 C ATOM 0 H ALA B 29 4.648 -9.333 -5.722 1.00 0.00 H new ATOM 0 HA ALA B 29 5.383 -7.265 -7.397 1.00 0.00 H new ATOM 0 HB1 ALA B 29 3.544 -8.214 -8.784 1.00 0.00 H new ATOM 0 HB2 ALA B 29 4.581 -9.484 -8.093 1.00 0.00 H new ATOM 0 HB3 ALA B 29 2.987 -9.148 -7.376 1.00 0.00 H new ATOM 365 N ALA B 30 2.655 -6.541 -5.771 1.00 0.00 N ATOM 366 CA ALA B 30 1.803 -5.416 -5.482 1.00 0.00 C ATOM 367 C ALA B 30 2.522 -4.299 -4.760 1.00 0.00 C ATOM 368 O ALA B 30 2.240 -3.129 -4.922 1.00 0.00 O ATOM 369 CB ALA B 30 0.640 -5.920 -4.656 1.00 0.00 C ATOM 0 H ALA B 30 2.476 -7.364 -5.195 1.00 0.00 H new ATOM 0 HA ALA B 30 1.462 -4.986 -6.424 1.00 0.00 H new ATOM 0 HB1 ALA B 30 -0.026 -5.090 -4.420 1.00 0.00 H new ATOM 0 HB2 ALA B 30 0.093 -6.675 -5.221 1.00 0.00 H new ATOM 0 HB3 ALA B 30 1.014 -6.359 -3.731 1.00 0.00 H new ATOM 375 N ILE B 31 3.453 -4.689 -3.916 1.00 0.00 N ATOM 376 CA ILE B 31 4.163 -3.849 -2.980 1.00 0.00 C ATOM 377 C ILE B 31 5.284 -3.128 -3.707 1.00 0.00 C ATOM 378 O ILE B 31 5.505 -1.953 -3.470 1.00 0.00 O ATOM 379 CB ILE B 31 4.664 -4.691 -1.822 1.00 0.00 C ATOM 380 CG1 ILE B 31 3.581 -5.468 -1.094 1.00 0.00 C ATOM 381 CG2 ILE B 31 5.412 -3.760 -0.885 1.00 0.00 C ATOM 382 CD1 ILE B 31 2.654 -4.645 -0.224 1.00 0.00 C ATOM 0 H ILE B 31 3.752 -5.663 -3.863 1.00 0.00 H new ATOM 0 HA ILE B 31 3.501 -3.090 -2.563 1.00 0.00 H new ATOM 0 HB ILE B 31 5.317 -5.470 -2.217 1.00 0.00 H new ATOM 0 HG12 ILE B 31 2.980 -5.998 -1.833 1.00 0.00 H new ATOM 0 HG13 ILE B 31 4.059 -6.224 -0.471 1.00 0.00 H new ATOM 0 HG21 ILE B 31 5.791 -4.327 -0.035 1.00 0.00 H new ATOM 0 HG22 ILE B 31 6.246 -3.302 -1.416 1.00 0.00 H new ATOM 0 HG23 ILE B 31 4.737 -2.981 -0.530 1.00 0.00 H new ATOM 0 HD11 ILE B 31 1.921 -5.300 0.247 1.00 0.00 H new ATOM 0 HD12 ILE B 31 3.234 -4.136 0.546 1.00 0.00 H new ATOM 0 HD13 ILE B 31 2.139 -3.906 -0.838 1.00 0.00 H new ATOM 394 N LYS B 32 5.954 -3.774 -4.655 1.00 0.00 N ATOM 395 CA LYS B 32 6.938 -3.169 -5.518 1.00 0.00 C ATOM 396 C LYS B 32 6.337 -1.984 -6.250 1.00 0.00 C ATOM 397 O LYS B 32 6.966 -0.959 -6.350 1.00 0.00 O ATOM 398 CB LYS B 32 7.441 -4.233 -6.479 1.00 0.00 C ATOM 399 CG LYS B 32 8.421 -5.190 -5.819 1.00 0.00 C ATOM 400 CD LYS B 32 8.860 -6.296 -6.749 1.00 0.00 C ATOM 401 CE LYS B 32 9.837 -7.235 -6.100 1.00 0.00 C ATOM 402 NZ LYS B 32 10.783 -7.634 -6.764 1.00 0.00 N ATOM 0 H LYS B 32 5.816 -4.767 -4.843 1.00 0.00 H new ATOM 0 HA LYS B 32 7.778 -2.788 -4.937 1.00 0.00 H new ATOM 0 HB2 LYS B 32 6.594 -4.796 -6.870 1.00 0.00 H new ATOM 0 HB3 LYS B 32 7.923 -3.752 -7.330 1.00 0.00 H new ATOM 0 HG2 LYS B 32 9.296 -4.634 -5.481 1.00 0.00 H new ATOM 0 HG3 LYS B 32 7.959 -5.626 -4.933 1.00 0.00 H new ATOM 0 HD2 LYS B 32 7.986 -6.857 -7.080 1.00 0.00 H new ATOM 0 HD3 LYS B 32 9.315 -5.860 -7.638 1.00 0.00 H new ATOM 0 HE2 LYS B 32 10.237 -6.740 -5.215 1.00 0.00 H new ATOM 0 HE3 LYS B 32 9.282 -8.107 -5.754 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 11.368 -8.271 -6.187 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 10.431 -8.147 -7.597 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 11.356 -6.823 -7.074 1.00 0.00 H new ATOM 416 N ALA B 33 5.097 -2.078 -6.677 1.00 0.00 N ATOM 417 CA ALA B 33 4.357 -1.030 -7.341 1.00 0.00 C ATOM 418 C ALA B 33 3.833 0.084 -6.453 1.00 0.00 C ATOM 419 O ALA B 33 3.207 1.006 -6.939 1.00 0.00 O ATOM 420 CB ALA B 33 3.227 -1.665 -8.120 1.00 0.00 C ATOM 0 H ALA B 33 4.551 -2.932 -6.564 1.00 0.00 H new ATOM 0 HA ALA B 33 5.070 -0.524 -7.992 1.00 0.00 H new ATOM 0 HB1 ALA B 33 2.655 -0.889 -8.629 1.00 0.00 H new ATOM 0 HB2 ALA B 33 3.636 -2.357 -8.856 1.00 0.00 H new ATOM 0 HB3 ALA B 33 2.574 -2.207 -7.437 1.00 0.00 H new ATOM 426 N ILE B 34 4.126 0.084 -5.158 1.00 0.00 N ATOM 427 CA ILE B 34 3.996 1.202 -4.258 1.00 0.00 C ATOM 428 C ILE B 34 5.305 1.564 -3.584 1.00 0.00 C ATOM 429 O ILE B 34 5.643 2.739 -3.617 1.00 0.00 O ATOM 430 CB ILE B 34 2.815 1.000 -3.330 1.00 0.00 C ATOM 431 CG1 ILE B 34 2.647 2.199 -2.421 1.00 0.00 C ATOM 432 CG2 ILE B 34 2.981 -0.210 -2.432 1.00 0.00 C ATOM 433 CD1 ILE B 34 1.347 2.249 -1.662 1.00 0.00 C ATOM 0 H ILE B 34 4.481 -0.750 -4.690 1.00 0.00 H new ATOM 0 HA ILE B 34 3.763 2.097 -4.835 1.00 0.00 H new ATOM 0 HB ILE B 34 1.949 0.859 -3.976 1.00 0.00 H new ATOM 0 HG12 ILE B 34 3.469 2.210 -1.705 1.00 0.00 H new ATOM 0 HG13 ILE B 34 2.735 3.105 -3.021 1.00 0.00 H new ATOM 0 HG21 ILE B 34 2.107 -0.308 -1.788 1.00 0.00 H new ATOM 0 HG22 ILE B 34 3.083 -1.106 -3.044 1.00 0.00 H new ATOM 0 HG23 ILE B 34 3.873 -0.087 -1.817 1.00 0.00 H new ATOM 0 HD11 ILE B 34 1.323 3.144 -1.040 1.00 0.00 H new ATOM 0 HD12 ILE B 34 0.515 2.274 -2.366 1.00 0.00 H new ATOM 0 HD13 ILE B 34 1.261 1.365 -1.030 1.00 0.00 H new ATOM 445 N ALA B 35 6.111 0.646 -3.063 1.00 0.00 N ATOM 446 CA ALA B 35 7.278 1.012 -2.297 1.00 0.00 C ATOM 447 C ALA B 35 8.351 1.724 -3.096 1.00 0.00 C ATOM 448 O ALA B 35 9.067 2.550 -2.555 1.00 0.00 O ATOM 449 CB ALA B 35 7.843 -0.267 -1.705 1.00 0.00 C ATOM 0 H ALA B 35 5.970 -0.359 -3.162 1.00 0.00 H new ATOM 0 HA ALA B 35 6.968 1.727 -1.534 1.00 0.00 H new ATOM 0 HB1 ALA B 35 8.730 -0.034 -1.116 1.00 0.00 H new ATOM 0 HB2 ALA B 35 7.094 -0.733 -1.065 1.00 0.00 H new ATOM 0 HB3 ALA B 35 8.111 -0.953 -2.509 1.00 0.00 H new ATOM 455 N ALA B 36 8.416 1.460 -4.393 1.00 0.00 N ATOM 456 CA ALA B 36 9.292 2.133 -5.319 1.00 0.00 C ATOM 457 C ALA B 36 8.812 3.515 -5.709 1.00 0.00 C ATOM 458 O ALA B 36 9.586 4.353 -6.119 1.00 0.00 O ATOM 459 CB ALA B 36 9.484 1.259 -6.541 1.00 0.00 C ATOM 0 H ALA B 36 7.838 0.746 -4.837 1.00 0.00 H new ATOM 0 HA ALA B 36 10.246 2.290 -4.815 1.00 0.00 H new ATOM 0 HB1 ALA B 36 10.146 1.761 -7.247 1.00 0.00 H new ATOM 0 HB2 ALA B 36 9.926 0.308 -6.243 1.00 0.00 H new ATOM 0 HB3 ALA B 36 8.519 1.078 -7.014 1.00 0.00 H new ATOM 465 N ILE B 37 7.520 3.745 -5.543 1.00 0.00 N ATOM 466 CA ILE B 37 6.857 5.000 -5.801 1.00 0.00 C ATOM 467 C ILE B 37 6.828 5.855 -4.546 1.00 0.00 C ATOM 468 O ILE B 37 7.082 7.047 -4.634 1.00 0.00 O ATOM 469 CB ILE B 37 5.471 4.734 -6.366 1.00 0.00 C ATOM 470 CG1 ILE B 37 5.415 4.031 -7.715 1.00 0.00 C ATOM 471 CG2 ILE B 37 4.712 6.043 -6.513 1.00 0.00 C ATOM 472 CD1 ILE B 37 5.948 2.634 -7.792 1.00 0.00 C ATOM 0 H ILE B 37 6.880 3.024 -5.209 1.00 0.00 H new ATOM 0 HA ILE B 37 7.412 5.568 -6.547 1.00 0.00 H new ATOM 0 HB ILE B 37 5.025 4.053 -5.641 1.00 0.00 H new ATOM 0 HG12 ILE B 37 4.375 4.012 -8.041 1.00 0.00 H new ATOM 0 HG13 ILE B 37 5.963 4.640 -8.434 1.00 0.00 H new ATOM 0 HG21 ILE B 37 3.720 5.845 -6.918 1.00 0.00 H new ATOM 0 HG22 ILE B 37 4.617 6.520 -5.538 1.00 0.00 H new ATOM 0 HG23 ILE B 37 5.254 6.704 -7.189 1.00 0.00 H new ATOM 0 HD11 ILE B 37 5.844 2.260 -8.811 1.00 0.00 H new ATOM 0 HD12 ILE B 37 7.001 2.630 -7.510 1.00 0.00 H new ATOM 0 HD13 ILE B 37 5.388 1.993 -7.111 1.00 0.00 H new ATOM 484 N ILE B 38 6.643 5.267 -3.366 1.00 0.00 N ATOM 485 CA ILE B 38 6.889 5.832 -2.059 1.00 0.00 C ATOM 486 C ILE B 38 8.260 6.470 -1.967 1.00 0.00 C ATOM 487 O ILE B 38 8.359 7.601 -1.531 1.00 0.00 O ATOM 488 CB ILE B 38 6.635 4.808 -0.961 1.00 0.00 C ATOM 489 CG1 ILE B 38 5.136 4.586 -0.857 1.00 0.00 C ATOM 490 CG2 ILE B 38 7.160 5.267 0.390 1.00 0.00 C ATOM 491 CD1 ILE B 38 4.670 3.614 0.211 1.00 0.00 C ATOM 0 H ILE B 38 6.291 4.312 -3.304 1.00 0.00 H new ATOM 0 HA ILE B 38 6.174 6.640 -1.905 1.00 0.00 H new ATOM 0 HB ILE B 38 7.161 3.890 -1.223 1.00 0.00 H new ATOM 0 HG12 ILE B 38 4.660 5.549 -0.673 1.00 0.00 H new ATOM 0 HG13 ILE B 38 4.775 4.231 -1.823 1.00 0.00 H new ATOM 0 HG21 ILE B 38 6.955 4.502 1.139 1.00 0.00 H new ATOM 0 HG22 ILE B 38 8.236 5.432 0.325 1.00 0.00 H new ATOM 0 HG23 ILE B 38 6.667 6.196 0.675 1.00 0.00 H new ATOM 0 HD11 ILE B 38 3.583 3.540 0.186 1.00 0.00 H new ATOM 0 HD12 ILE B 38 5.105 2.632 0.024 1.00 0.00 H new ATOM 0 HD13 ILE B 38 4.987 3.971 1.191 1.00 0.00 H new ATOM 503 N LYS B 39 9.290 5.772 -2.423 1.00 0.00 N ATOM 504 CA LYS B 39 10.652 6.243 -2.523 1.00 0.00 C ATOM 505 C LYS B 39 10.787 7.561 -3.256 1.00 0.00 C ATOM 506 O LYS B 39 11.574 8.390 -2.850 1.00 0.00 O ATOM 507 CB LYS B 39 11.440 5.091 -3.109 1.00 0.00 C ATOM 508 CG LYS B 39 12.857 5.381 -3.536 1.00 0.00 C ATOM 509 CD LYS B 39 13.789 5.616 -2.405 1.00 0.00 C ATOM 510 CE LYS B 39 14.567 4.675 -1.984 1.00 0.00 C ATOM 511 NZ LYS B 39 15.541 4.914 -0.981 1.00 0.00 N ATOM 0 H LYS B 39 9.186 4.811 -2.749 1.00 0.00 H new ATOM 0 HA LYS B 39 11.058 6.507 -1.546 1.00 0.00 H new ATOM 0 HB2 LYS B 39 11.465 4.288 -2.372 1.00 0.00 H new ATOM 0 HB3 LYS B 39 10.896 4.713 -3.974 1.00 0.00 H new ATOM 0 HG2 LYS B 39 13.226 4.545 -4.130 1.00 0.00 H new ATOM 0 HG3 LYS B 39 12.859 6.258 -4.184 1.00 0.00 H new ATOM 0 HD2 LYS B 39 14.424 6.457 -2.683 1.00 0.00 H new ATOM 0 HD3 LYS B 39 13.187 5.938 -1.555 1.00 0.00 H new ATOM 0 HE2 LYS B 39 13.926 3.873 -1.619 1.00 0.00 H new ATOM 0 HE3 LYS B 39 15.097 4.288 -2.855 1.00 0.00 H new ATOM 0 HZ1 LYS B 39 16.060 4.034 -0.785 1.00 0.00 H new ATOM 0 HZ2 LYS B 39 16.206 5.643 -1.310 1.00 0.00 H new ATOM 0 HZ3 LYS B 39 15.072 5.240 -0.112 1.00 0.00 H new ATOM 525 N ALA B 40 10.019 7.786 -4.310 1.00 0.00 N ATOM 526 CA ALA B 40 9.922 9.046 -4.997 1.00 0.00 C ATOM 527 C ALA B 40 9.018 10.037 -4.288 1.00 0.00 C ATOM 528 O ALA B 40 9.420 11.159 -4.096 1.00 0.00 O ATOM 529 CB ALA B 40 9.476 8.764 -6.415 1.00 0.00 C ATOM 0 H ALA B 40 9.427 7.063 -4.719 1.00 0.00 H new ATOM 0 HA ALA B 40 10.898 9.531 -5.006 1.00 0.00 H new ATOM 0 HB1 ALA B 40 9.393 9.702 -6.964 1.00 0.00 H new ATOM 0 HB2 ALA B 40 10.207 8.121 -6.905 1.00 0.00 H new ATOM 0 HB3 ALA B 40 8.507 8.266 -6.399 1.00 0.00 H new ATOM 535 N GLY B 41 7.826 9.643 -3.859 1.00 0.00 N ATOM 536 CA GLY B 41 6.805 10.488 -3.289 1.00 0.00 C ATOM 537 C GLY B 41 7.143 11.073 -1.934 1.00 0.00 C ATOM 538 O GLY B 41 7.005 12.253 -1.741 1.00 0.00 O ATOM 0 H GLY B 41 7.537 8.666 -3.906 1.00 0.00 H new ATOM 0 HA2 GLY B 41 6.603 11.306 -3.981 1.00 0.00 H new ATOM 0 HA3 GLY B 41 5.885 9.911 -3.200 1.00 0.00 H new ATOM 542 N GLY B 42 7.593 10.277 -0.988 1.00 0.00 N ATOM 543 CA GLY B 42 7.858 10.724 0.360 1.00 0.00 C ATOM 544 C GLY B 42 6.624 10.730 1.232 1.00 0.00 C ATOM 545 O GLY B 42 6.384 11.665 1.971 1.00 0.00 O ATOM 0 H GLY B 42 7.787 9.287 -1.137 1.00 0.00 H new ATOM 0 HA2 GLY B 42 8.611 10.077 0.810 1.00 0.00 H new ATOM 0 HA3 GLY B 42 8.279 11.729 0.328 1.00 0.00 H new ATOM 549 N PHE B 43 5.812 9.690 1.169 1.00 0.00 N ATOM 550 CA PHE B 43 4.498 9.577 1.727 1.00 0.00 C ATOM 551 C PHE B 43 4.489 9.685 3.223 1.00 0.00 C ATOM 552 O PHE B 43 3.671 10.329 3.819 1.00 0.00 O ATOM 553 CB PHE B 43 3.849 8.278 1.295 1.00 0.00 C ATOM 554 CG PHE B 43 3.389 8.157 -0.131 1.00 0.00 C ATOM 555 CD1 PHE B 43 4.314 8.103 -1.167 1.00 0.00 C ATOM 556 CD2 PHE B 43 2.060 7.879 -0.401 1.00 0.00 C ATOM 557 CE1 PHE B 43 3.934 7.662 -2.432 1.00 0.00 C ATOM 558 CE2 PHE B 43 1.647 7.501 -1.675 1.00 0.00 C ATOM 559 CZ PHE B 43 2.594 7.383 -2.685 1.00 0.00 C ATOM 0 H PHE B 43 6.089 8.837 0.683 1.00 0.00 H new ATOM 0 HA PHE B 43 3.922 10.419 1.343 1.00 0.00 H new ATOM 0 HB2 PHE B 43 4.557 7.472 1.487 1.00 0.00 H new ATOM 0 HB3 PHE B 43 2.987 8.105 1.939 1.00 0.00 H new ATOM 0 HD1 PHE B 43 5.335 8.405 -0.990 1.00 0.00 H new ATOM 0 HD2 PHE B 43 1.330 7.957 0.392 1.00 0.00 H new ATOM 0 HE1 PHE B 43 4.673 7.538 -3.210 1.00 0.00 H new ATOM 0 HE2 PHE B 43 0.605 7.302 -1.876 1.00 0.00 H new ATOM 0 HZ PHE B 43 2.288 7.073 -3.673 1.00 0.00 H new HETATM 569 N NH2 B 44 5.341 8.967 3.894 1.00 0.00 N TER 572 NH2 B 44 HETATM 573 C ACE C 45 -7.922 10.592 -0.877 1.00 0.00 C HETATM 574 O ACE C 45 -7.953 9.890 0.114 1.00 0.00 O HETATM 575 CH3 ACE C 45 -9.202 11.162 -1.440 1.00 0.00 C HETATM 0 H1 ACE C 45 -9.148 12.251 -1.436 1.00 0.00 H new HETATM 0 H2 ACE C 45 -9.339 10.810 -2.462 1.00 0.00 H new HETATM 0 H3 ACE C 45 -10.044 10.838 -0.829 1.00 0.00 H new ATOM 579 N ALA C 46 -6.803 11.035 -1.424 1.00 0.00 N ATOM 580 CA ALA C 46 -5.493 10.937 -0.843 1.00 0.00 C ATOM 581 C ALA C 46 -5.316 11.737 0.424 1.00 0.00 C ATOM 582 O ALA C 46 -4.255 11.701 1.029 1.00 0.00 O ATOM 583 CB ALA C 46 -4.463 11.240 -1.898 1.00 0.00 C ATOM 0 H ALA C 46 -6.793 11.496 -2.334 1.00 0.00 H new ATOM 0 HA ALA C 46 -5.351 9.911 -0.502 1.00 0.00 H new ATOM 0 HB1 ALA C 46 -3.466 11.168 -1.464 1.00 0.00 H new ATOM 0 HB2 ALA C 46 -4.557 10.524 -2.714 1.00 0.00 H new ATOM 0 HB3 ALA C 46 -4.620 12.249 -2.281 1.00 0.00 H new ATOM 589 N LYS C 47 -6.371 12.385 0.905 1.00 0.00 N ATOM 590 CA LYS C 47 -6.501 12.959 2.220 1.00 0.00 C ATOM 591 C LYS C 47 -6.171 11.992 3.342 1.00 0.00 C ATOM 592 O LYS C 47 -5.661 12.398 4.359 1.00 0.00 O ATOM 593 CB LYS C 47 -7.918 13.476 2.390 1.00 0.00 C ATOM 594 CG LYS C 47 -8.207 14.687 1.535 1.00 0.00 C ATOM 595 CD LYS C 47 -9.671 14.919 1.309 1.00 0.00 C ATOM 596 CE LYS C 47 -10.389 15.158 2.585 1.00 0.00 C ATOM 597 NZ LYS C 47 -11.783 15.323 2.413 1.00 0.00 N ATOM 0 H LYS C 47 -7.209 12.527 0.341 1.00 0.00 H new ATOM 0 HA LYS C 47 -5.773 13.767 2.291 1.00 0.00 H new ATOM 0 HB2 LYS C 47 -8.622 12.683 2.138 1.00 0.00 H new ATOM 0 HB3 LYS C 47 -8.084 13.729 3.437 1.00 0.00 H new ATOM 0 HG2 LYS C 47 -7.776 15.569 2.009 1.00 0.00 H new ATOM 0 HG3 LYS C 47 -7.712 14.569 0.571 1.00 0.00 H new ATOM 0 HD2 LYS C 47 -9.807 15.775 0.649 1.00 0.00 H new ATOM 0 HD3 LYS C 47 -10.103 14.055 0.804 1.00 0.00 H new ATOM 0 HE2 LYS C 47 -10.208 14.321 3.259 1.00 0.00 H new ATOM 0 HE3 LYS C 47 -9.980 16.047 3.064 1.00 0.00 H new ATOM 0 HZ1 LYS C 47 -12.230 15.486 3.338 1.00 0.00 H new ATOM 0 HZ2 LYS C 47 -11.962 16.138 1.793 1.00 0.00 H new ATOM 0 HZ3 LYS C 47 -12.183 14.466 1.982 1.00 0.00 H new ATOM 611 N ALA C 48 -6.418 10.709 3.143 1.00 0.00 N ATOM 612 CA ALA C 48 -6.087 9.623 4.027 1.00 0.00 C ATOM 613 C ALA C 48 -4.671 9.096 3.916 1.00 0.00 C ATOM 614 O ALA C 48 -4.291 8.270 4.722 1.00 0.00 O ATOM 615 CB ALA C 48 -7.112 8.557 3.688 1.00 0.00 C ATOM 0 H ALA C 48 -6.888 10.384 2.298 1.00 0.00 H new ATOM 0 HA ALA C 48 -6.120 9.959 5.063 1.00 0.00 H new ATOM 0 HB1 ALA C 48 -6.945 7.680 4.313 1.00 0.00 H new ATOM 0 HB2 ALA C 48 -8.114 8.945 3.869 1.00 0.00 H new ATOM 0 HB3 ALA C 48 -7.014 8.279 2.639 1.00 0.00 H new ATOM 621 N ALA C 49 -3.924 9.516 2.900 1.00 0.00 N ATOM 622 CA ALA C 49 -2.770 8.787 2.432 1.00 0.00 C ATOM 623 C ALA C 49 -1.507 8.871 3.270 1.00 0.00 C ATOM 624 O ALA C 49 -0.854 7.851 3.440 1.00 0.00 O ATOM 625 CB ALA C 49 -2.521 9.129 0.975 1.00 0.00 C ATOM 0 H ALA C 49 -4.110 10.375 2.382 1.00 0.00 H new ATOM 0 HA ALA C 49 -3.033 7.735 2.544 1.00 0.00 H new ATOM 0 HB1 ALA C 49 -1.650 8.581 0.616 1.00 0.00 H new ATOM 0 HB2 ALA C 49 -3.393 8.853 0.382 1.00 0.00 H new ATOM 0 HB3 ALA C 49 -2.341 10.200 0.878 1.00 0.00 H new ATOM 631 N ALA C 50 -1.202 10.024 3.849 1.00 0.00 N ATOM 632 CA ALA C 50 -0.157 10.185 4.833 1.00 0.00 C ATOM 633 C ALA C 50 -0.411 9.296 6.035 1.00 0.00 C ATOM 634 O ALA C 50 0.386 8.423 6.342 1.00 0.00 O ATOM 635 CB ALA C 50 0.007 11.649 5.182 1.00 0.00 C ATOM 0 H ALA C 50 -1.692 10.893 3.637 1.00 0.00 H new ATOM 0 HA ALA C 50 0.796 9.857 4.417 1.00 0.00 H new ATOM 0 HB1 ALA C 50 0.797 11.760 5.925 1.00 0.00 H new ATOM 0 HB2 ALA C 50 0.271 12.210 4.285 1.00 0.00 H new ATOM 0 HB3 ALA C 50 -0.929 12.033 5.588 1.00 0.00 H new ATOM 641 N ALA C 51 -1.579 9.432 6.657 1.00 0.00 N ATOM 642 CA ALA C 51 -1.989 8.641 7.791 1.00 0.00 C ATOM 643 C ALA C 51 -2.164 7.167 7.495 1.00 0.00 C ATOM 644 O ALA C 51 -2.087 6.370 8.411 1.00 0.00 O ATOM 645 CB ALA C 51 -3.254 9.241 8.352 1.00 0.00 C ATOM 0 H ALA C 51 -2.278 10.117 6.371 1.00 0.00 H new ATOM 0 HA ALA C 51 -1.183 8.674 8.524 1.00 0.00 H new ATOM 0 HB1 ALA C 51 -3.583 8.658 9.212 1.00 0.00 H new ATOM 0 HB2 ALA C 51 -3.063 10.268 8.662 1.00 0.00 H new ATOM 0 HB3 ALA C 51 -4.031 9.231 7.588 1.00 0.00 H new ATOM 651 N ALA C 52 -2.332 6.755 6.248 1.00 0.00 N ATOM 652 CA ALA C 52 -2.306 5.362 5.864 1.00 0.00 C ATOM 653 C ALA C 52 -0.875 4.863 5.832 1.00 0.00 C ATOM 654 O ALA C 52 -0.491 3.917 6.479 1.00 0.00 O ATOM 655 CB ALA C 52 -2.973 5.213 4.510 1.00 0.00 C ATOM 0 H ALA C 52 -2.492 7.392 5.467 1.00 0.00 H new ATOM 0 HA ALA C 52 -2.851 4.760 6.591 1.00 0.00 H new ATOM 0 HB1 ALA C 52 -2.959 4.165 4.211 1.00 0.00 H new ATOM 0 HB2 ALA C 52 -4.005 5.558 4.573 1.00 0.00 H new ATOM 0 HB3 ALA C 52 -2.435 5.808 3.772 1.00 0.00 H new ATOM 661 N ILE C 53 -0.025 5.510 5.048 1.00 0.00 N ATOM 662 CA ILE C 53 1.259 4.980 4.655 1.00 0.00 C ATOM 663 C ILE C 53 2.342 5.251 5.684 1.00 0.00 C ATOM 664 O ILE C 53 3.314 4.506 5.734 1.00 0.00 O ATOM 665 CB ILE C 53 1.527 5.457 3.238 1.00 0.00 C ATOM 666 CG1 ILE C 53 0.703 4.527 2.364 1.00 0.00 C ATOM 667 CG2 ILE C 53 3.000 5.419 2.883 1.00 0.00 C ATOM 668 CD1 ILE C 53 0.520 5.116 0.992 1.00 0.00 C ATOM 0 H ILE C 53 -0.218 6.435 4.664 1.00 0.00 H new ATOM 0 HA ILE C 53 1.259 3.890 4.633 1.00 0.00 H new ATOM 0 HB ILE C 53 1.249 6.502 3.103 1.00 0.00 H new ATOM 0 HG12 ILE C 53 1.197 3.558 2.287 1.00 0.00 H new ATOM 0 HG13 ILE C 53 -0.270 4.353 2.824 1.00 0.00 H new ATOM 0 HG21 ILE C 53 3.137 5.770 1.860 1.00 0.00 H new ATOM 0 HG22 ILE C 53 3.555 6.063 3.565 1.00 0.00 H new ATOM 0 HG23 ILE C 53 3.369 4.397 2.968 1.00 0.00 H new ATOM 0 HD11 ILE C 53 -0.073 4.436 0.380 1.00 0.00 H new ATOM 0 HD12 ILE C 53 0.005 6.073 1.073 1.00 0.00 H new ATOM 0 HD13 ILE C 53 1.495 5.266 0.528 1.00 0.00 H new ATOM 680 N LYS C 54 2.150 6.200 6.596 1.00 0.00 N ATOM 681 CA LYS C 54 3.064 6.381 7.700 1.00 0.00 C ATOM 682 C LYS C 54 2.994 5.267 8.719 1.00 0.00 C ATOM 683 O LYS C 54 3.956 5.031 9.414 1.00 0.00 O ATOM 684 CB LYS C 54 2.847 7.754 8.312 1.00 0.00 C ATOM 685 CG LYS C 54 3.371 8.888 7.444 1.00 0.00 C ATOM 686 CD LYS C 54 3.061 10.242 8.035 1.00 0.00 C ATOM 687 CE LYS C 54 3.605 11.353 7.185 1.00 0.00 C ATOM 688 NZ LYS C 54 4.998 11.587 7.383 1.00 0.00 N ATOM 0 H LYS C 54 1.366 6.852 6.585 1.00 0.00 H new ATOM 0 HA LYS C 54 4.082 6.329 7.313 1.00 0.00 H new ATOM 0 HB2 LYS C 54 1.781 7.902 8.487 1.00 0.00 H new ATOM 0 HB3 LYS C 54 3.338 7.793 9.284 1.00 0.00 H new ATOM 0 HG2 LYS C 54 4.449 8.783 7.323 1.00 0.00 H new ATOM 0 HG3 LYS C 54 2.930 8.817 6.450 1.00 0.00 H new ATOM 0 HD2 LYS C 54 1.982 10.356 8.138 1.00 0.00 H new ATOM 0 HD3 LYS C 54 3.485 10.308 9.037 1.00 0.00 H new ATOM 0 HE2 LYS C 54 3.429 11.117 6.135 1.00 0.00 H new ATOM 0 HE3 LYS C 54 3.056 12.269 7.402 1.00 0.00 H new ATOM 0 HZ1 LYS C 54 5.310 12.365 6.768 1.00 0.00 H new ATOM 0 HZ2 LYS C 54 5.169 11.841 8.377 1.00 0.00 H new ATOM 0 HZ3 LYS C 54 5.531 10.725 7.149 1.00 0.00 H new ATOM 702 N ALA C 55 1.912 4.499 8.732 1.00 0.00 N ATOM 703 CA ALA C 55 1.874 3.134 9.202 1.00 0.00 C ATOM 704 C ALA C 55 2.480 2.187 8.185 1.00 0.00 C ATOM 705 O ALA C 55 3.456 1.509 8.478 1.00 0.00 O ATOM 706 CB ALA C 55 0.459 2.773 9.609 1.00 0.00 C ATOM 0 H ALA C 55 1.006 4.830 8.401 1.00 0.00 H new ATOM 0 HA ALA C 55 2.495 3.033 10.092 1.00 0.00 H new ATOM 0 HB1 ALA C 55 0.434 1.742 9.963 1.00 0.00 H new ATOM 0 HB2 ALA C 55 0.129 3.439 10.406 1.00 0.00 H new ATOM 0 HB3 ALA C 55 -0.204 2.878 8.751 1.00 0.00 H new ATOM 712 N ILE C 56 1.940 2.104 6.975 1.00 0.00 N ATOM 713 CA ILE C 56 2.202 0.997 6.083 1.00 0.00 C ATOM 714 C ILE C 56 3.640 0.900 5.603 1.00 0.00 C ATOM 715 O ILE C 56 4.155 -0.210 5.580 1.00 0.00 O ATOM 716 CB ILE C 56 1.130 0.850 5.013 1.00 0.00 C ATOM 717 CG1 ILE C 56 0.032 -0.094 5.464 1.00 0.00 C ATOM 718 CG2 ILE C 56 1.629 0.372 3.662 1.00 0.00 C ATOM 719 CD1 ILE C 56 -0.912 0.396 6.544 1.00 0.00 C ATOM 0 H ILE C 56 1.308 2.807 6.591 1.00 0.00 H new ATOM 0 HA ILE C 56 2.111 0.092 6.684 1.00 0.00 H new ATOM 0 HB ILE C 56 0.756 1.865 4.880 1.00 0.00 H new ATOM 0 HG12 ILE C 56 -0.564 -0.358 4.591 1.00 0.00 H new ATOM 0 HG13 ILE C 56 0.502 -1.011 5.819 1.00 0.00 H new ATOM 0 HG21 ILE C 56 0.791 0.300 2.969 1.00 0.00 H new ATOM 0 HG22 ILE C 56 2.361 1.080 3.273 1.00 0.00 H new ATOM 0 HG23 ILE C 56 2.095 -0.607 3.772 1.00 0.00 H new ATOM 0 HD11 ILE C 56 -1.644 -0.380 6.767 1.00 0.00 H new ATOM 0 HD12 ILE C 56 -0.345 0.629 7.445 1.00 0.00 H new ATOM 0 HD13 ILE C 56 -1.427 1.292 6.198 1.00 0.00 H new ATOM 731 N ALA C 57 4.325 2.013 5.346 1.00 0.00 N ATOM 732 CA ALA C 57 5.734 1.981 5.023 1.00 0.00 C ATOM 733 C ALA C 57 6.604 1.460 6.149 1.00 0.00 C ATOM 734 O ALA C 57 7.626 0.836 5.897 1.00 0.00 O ATOM 735 CB ALA C 57 6.169 3.359 4.570 1.00 0.00 C ATOM 0 H ALA C 57 3.917 2.948 5.358 1.00 0.00 H new ATOM 0 HA ALA C 57 5.871 1.266 4.212 1.00 0.00 H new ATOM 0 HB1 ALA C 57 7.231 3.343 4.325 1.00 0.00 H new ATOM 0 HB2 ALA C 57 5.597 3.650 3.689 1.00 0.00 H new ATOM 0 HB3 ALA C 57 5.992 4.078 5.370 1.00 0.00 H new ATOM 741 N ALA C 58 6.227 1.659 7.408 1.00 0.00 N ATOM 742 CA ALA C 58 6.894 1.207 8.606 1.00 0.00 C ATOM 743 C ALA C 58 6.603 -0.252 8.900 1.00 0.00 C ATOM 744 O ALA C 58 7.442 -0.975 9.412 1.00 0.00 O ATOM 745 CB ALA C 58 6.530 2.120 9.759 1.00 0.00 C ATOM 0 H ALA C 58 5.379 2.183 7.625 1.00 0.00 H new ATOM 0 HA ALA C 58 7.972 1.263 8.455 1.00 0.00 H new ATOM 0 HB1 ALA C 58 7.033 1.780 10.665 1.00 0.00 H new ATOM 0 HB2 ALA C 58 6.844 3.138 9.530 1.00 0.00 H new ATOM 0 HB3 ALA C 58 5.451 2.099 9.913 1.00 0.00 H new ATOM 751 N ILE C 59 5.427 -0.733 8.516 1.00 0.00 N ATOM 752 CA ILE C 59 4.965 -2.103 8.520 1.00 0.00 C ATOM 753 C ILE C 59 5.640 -2.859 7.392 1.00 0.00 C ATOM 754 O ILE C 59 6.050 -3.993 7.584 1.00 0.00 O ATOM 755 CB ILE C 59 3.444 -2.102 8.480 1.00 0.00 C ATOM 756 CG1 ILE C 59 2.885 -1.579 9.792 1.00 0.00 C ATOM 757 CG2 ILE C 59 2.845 -3.460 8.152 1.00 0.00 C ATOM 758 CD1 ILE C 59 1.446 -1.103 9.699 1.00 0.00 C ATOM 0 H ILE C 59 4.706 -0.105 8.160 1.00 0.00 H new ATOM 0 HA ILE C 59 5.242 -2.633 9.431 1.00 0.00 H new ATOM 0 HB ILE C 59 3.157 -1.438 7.665 1.00 0.00 H new ATOM 0 HG12 ILE C 59 2.950 -2.366 10.543 1.00 0.00 H new ATOM 0 HG13 ILE C 59 3.509 -0.755 10.139 1.00 0.00 H new ATOM 0 HG21 ILE C 59 1.758 -3.385 8.141 1.00 0.00 H new ATOM 0 HG22 ILE C 59 3.197 -3.786 7.173 1.00 0.00 H new ATOM 0 HG23 ILE C 59 3.151 -4.184 8.907 1.00 0.00 H new ATOM 0 HD11 ILE C 59 1.118 -0.744 10.675 1.00 0.00 H new ATOM 0 HD12 ILE C 59 1.377 -0.293 8.973 1.00 0.00 H new ATOM 0 HD13 ILE C 59 0.809 -1.929 9.383 1.00 0.00 H new ATOM 770 N ILE C 60 5.900 -2.254 6.233 1.00 0.00 N ATOM 771 CA ILE C 60 6.802 -2.745 5.216 1.00 0.00 C ATOM 772 C ILE C 60 8.240 -2.890 5.678 1.00 0.00 C ATOM 773 O ILE C 60 8.807 -3.942 5.453 1.00 0.00 O ATOM 774 CB ILE C 60 6.654 -1.929 3.941 1.00 0.00 C ATOM 775 CG1 ILE C 60 5.306 -2.279 3.332 1.00 0.00 C ATOM 776 CG2 ILE C 60 7.772 -2.191 2.947 1.00 0.00 C ATOM 777 CD1 ILE C 60 4.935 -1.559 2.048 1.00 0.00 C ATOM 0 H ILE C 60 5.463 -1.369 5.975 1.00 0.00 H new ATOM 0 HA ILE C 60 6.505 -3.770 4.993 1.00 0.00 H new ATOM 0 HB ILE C 60 6.714 -0.869 4.186 1.00 0.00 H new ATOM 0 HG12 ILE C 60 5.287 -3.352 3.139 1.00 0.00 H new ATOM 0 HG13 ILE C 60 4.533 -2.075 4.073 1.00 0.00 H new ATOM 0 HG21 ILE C 60 7.617 -1.583 2.056 1.00 0.00 H new ATOM 0 HG22 ILE C 60 8.729 -1.933 3.400 1.00 0.00 H new ATOM 0 HG23 ILE C 60 7.774 -3.245 2.671 1.00 0.00 H new ATOM 0 HD11 ILE C 60 3.953 -1.894 1.714 1.00 0.00 H new ATOM 0 HD12 ILE C 60 4.910 -0.484 2.228 1.00 0.00 H new ATOM 0 HD13 ILE C 60 5.675 -1.781 1.279 1.00 0.00 H new ATOM 789 N LYS C 61 8.778 -1.902 6.381 1.00 0.00 N ATOM 790 CA LYS C 61 10.077 -1.962 7.011 1.00 0.00 C ATOM 791 C LYS C 61 10.188 -3.020 8.090 1.00 0.00 C ATOM 792 O LYS C 61 11.289 -3.488 8.306 1.00 0.00 O ATOM 793 CB LYS C 61 10.366 -0.544 7.461 1.00 0.00 C ATOM 794 CG LYS C 61 11.589 -0.368 8.334 1.00 0.00 C ATOM 795 CD LYS C 61 12.902 -0.709 7.686 1.00 0.00 C ATOM 796 CE LYS C 61 13.287 0.226 6.590 1.00 0.00 C ATOM 797 NZ LYS C 61 13.736 1.424 6.986 1.00 0.00 N ATOM 0 H LYS C 61 8.302 -1.012 6.529 1.00 0.00 H new ATOM 0 HA LYS C 61 10.846 -2.300 6.317 1.00 0.00 H new ATOM 0 HB2 LYS C 61 10.481 0.082 6.576 1.00 0.00 H new ATOM 0 HB3 LYS C 61 9.498 -0.171 8.004 1.00 0.00 H new ATOM 0 HG2 LYS C 61 11.628 0.668 8.670 1.00 0.00 H new ATOM 0 HG3 LYS C 61 11.471 -0.987 9.223 1.00 0.00 H new ATOM 0 HD2 LYS C 61 13.684 -0.707 8.445 1.00 0.00 H new ATOM 0 HD3 LYS C 61 12.848 -1.722 7.286 1.00 0.00 H new ATOM 0 HE2 LYS C 61 14.058 -0.250 5.984 1.00 0.00 H new ATOM 0 HE3 LYS C 61 12.422 0.377 5.944 1.00 0.00 H new ATOM 0 HZ1 LYS C 61 13.976 1.998 6.152 1.00 0.00 H new ATOM 0 HZ2 LYS C 61 12.998 1.906 7.537 1.00 0.00 H new ATOM 0 HZ3 LYS C 61 14.583 1.299 7.576 1.00 0.00 H new ATOM 811 N ALA C 62 9.096 -3.461 8.708 1.00 0.00 N ATOM 812 CA ALA C 62 9.004 -4.600 9.583 1.00 0.00 C ATOM 813 C ALA C 62 8.841 -5.908 8.846 1.00 0.00 C ATOM 814 O ALA C 62 9.463 -6.884 9.185 1.00 0.00 O ATOM 815 CB ALA C 62 7.853 -4.388 10.542 1.00 0.00 C ATOM 0 H ALA C 62 8.197 -2.992 8.595 1.00 0.00 H new ATOM 0 HA ALA C 62 9.947 -4.677 10.125 1.00 0.00 H new ATOM 0 HB1 ALA C 62 7.774 -5.245 11.210 1.00 0.00 H new ATOM 0 HB2 ALA C 62 8.029 -3.486 11.128 1.00 0.00 H new ATOM 0 HB3 ALA C 62 6.926 -4.280 9.979 1.00 0.00 H new ATOM 821 N GLY C 63 8.027 -5.948 7.800 1.00 0.00 N ATOM 822 CA GLY C 63 7.806 -7.108 6.972 1.00 0.00 C ATOM 823 C GLY C 63 8.992 -7.515 6.124 1.00 0.00 C ATOM 824 O GLY C 63 9.444 -8.613 6.233 1.00 0.00 O ATOM 0 H GLY C 63 7.485 -5.138 7.500 1.00 0.00 H new ATOM 0 HA2 GLY C 63 7.529 -7.946 7.611 1.00 0.00 H new ATOM 0 HA3 GLY C 63 6.957 -6.913 6.316 1.00 0.00 H new ATOM 828 N GLY C 64 9.447 -6.671 5.234 1.00 0.00 N ATOM 829 CA GLY C 64 10.380 -6.951 4.180 1.00 0.00 C ATOM 830 C GLY C 64 9.739 -7.395 2.880 1.00 0.00 C ATOM 831 O GLY C 64 10.240 -8.265 2.208 1.00 0.00 O ATOM 0 H GLY C 64 9.150 -5.695 5.230 1.00 0.00 H new ATOM 0 HA2 GLY C 64 10.975 -6.058 3.991 1.00 0.00 H new ATOM 0 HA3 GLY C 64 11.067 -7.727 4.516 1.00 0.00 H new ATOM 835 N PHE C 65 8.596 -6.837 2.517 1.00 0.00 N ATOM 836 CA PHE C 65 7.721 -7.215 1.444 1.00 0.00 C ATOM 837 C PHE C 65 8.382 -7.388 0.106 1.00 0.00 C ATOM 838 O PHE C 65 8.404 -8.452 -0.440 1.00 0.00 O ATOM 839 CB PHE C 65 6.563 -6.246 1.321 1.00 0.00 C ATOM 840 CG PHE C 65 5.549 -6.357 2.423 1.00 0.00 C ATOM 841 CD1 PHE C 65 5.770 -5.721 3.640 1.00 0.00 C ATOM 842 CD2 PHE C 65 4.321 -6.972 2.198 1.00 0.00 C ATOM 843 CE1 PHE C 65 4.747 -5.547 4.570 1.00 0.00 C ATOM 844 CE2 PHE C 65 3.289 -6.853 3.129 1.00 0.00 C ATOM 845 CZ PHE C 65 3.505 -6.094 4.277 1.00 0.00 C ATOM 0 H PHE C 65 8.231 -6.030 3.023 1.00 0.00 H new ATOM 0 HA PHE C 65 7.363 -8.205 1.726 1.00 0.00 H new ATOM 0 HB2 PHE C 65 6.955 -5.229 1.304 1.00 0.00 H new ATOM 0 HB3 PHE C 65 6.065 -6.412 0.366 1.00 0.00 H new ATOM 0 HD1 PHE C 65 6.759 -5.353 3.870 1.00 0.00 H new ATOM 0 HD2 PHE C 65 4.166 -7.546 1.296 1.00 0.00 H new ATOM 0 HE1 PHE C 65 4.915 -5.004 5.489 1.00 0.00 H new ATOM 0 HE2 PHE C 65 2.340 -7.340 2.963 1.00 0.00 H new ATOM 0 HZ PHE C 65 2.684 -5.926 4.958 1.00 0.00 H new HETATM 855 N NH2 C 66 8.919 -6.356 -0.447 1.00 0.00 N TER 858 NH2 C 66 HETATM 859 C ACE D 67 6.554 -10.434 4.333 1.00 0.00 C HETATM 860 O ACE D 67 6.138 -9.599 5.120 1.00 0.00 O HETATM 861 CH3 ACE D 67 8.033 -10.727 4.227 1.00 0.00 C HETATM 0 H1 ACE D 67 8.214 -11.776 4.462 1.00 0.00 H new HETATM 0 H2 ACE D 67 8.373 -10.519 3.213 1.00 0.00 H new HETATM 0 H3 ACE D 67 8.580 -10.098 4.930 1.00 0.00 H new ATOM 865 N ALA D 68 5.757 -11.199 3.614 1.00 0.00 N ATOM 866 CA ALA D 68 4.318 -11.155 3.694 1.00 0.00 C ATOM 867 C ALA D 68 3.782 -11.687 5.002 1.00 0.00 C ATOM 868 O ALA D 68 2.574 -11.683 5.204 1.00 0.00 O ATOM 869 CB ALA D 68 3.796 -11.851 2.457 1.00 0.00 C ATOM 0 H ALA D 68 6.105 -11.884 2.943 1.00 0.00 H new ATOM 0 HA ALA D 68 3.955 -10.127 3.703 1.00 0.00 H new ATOM 0 HB1 ALA D 68 2.706 -11.845 2.469 1.00 0.00 H new ATOM 0 HB2 ALA D 68 4.152 -11.330 1.569 1.00 0.00 H new ATOM 0 HB3 ALA D 68 4.153 -12.881 2.441 1.00 0.00 H new ATOM 875 N LYS D 69 4.625 -12.056 5.959 1.00 0.00 N ATOM 876 CA LYS D 69 4.311 -12.172 7.359 1.00 0.00 C ATOM 877 C LYS D 69 3.518 -11.008 7.915 1.00 0.00 C ATOM 878 O LYS D 69 2.662 -11.172 8.763 1.00 0.00 O ATOM 879 CB LYS D 69 5.594 -12.320 8.141 1.00 0.00 C ATOM 880 CG LYS D 69 6.313 -13.601 7.851 1.00 0.00 C ATOM 881 CD LYS D 69 7.671 -13.639 8.438 1.00 0.00 C ATOM 882 CE LYS D 69 8.401 -14.852 8.126 1.00 0.00 C ATOM 883 NZ LYS D 69 9.706 -14.957 8.674 1.00 0.00 N ATOM 0 H LYS D 69 5.596 -12.293 5.757 1.00 0.00 H new ATOM 0 HA LYS D 69 3.674 -13.051 7.461 1.00 0.00 H new ATOM 0 HB2 LYS D 69 6.251 -11.481 7.912 1.00 0.00 H new ATOM 0 HB3 LYS D 69 5.371 -12.268 9.207 1.00 0.00 H new ATOM 0 HG2 LYS D 69 5.730 -14.436 8.240 1.00 0.00 H new ATOM 0 HG3 LYS D 69 6.384 -13.737 6.772 1.00 0.00 H new ATOM 0 HD2 LYS D 69 8.238 -12.780 8.078 1.00 0.00 H new ATOM 0 HD3 LYS D 69 7.593 -13.539 9.521 1.00 0.00 H new ATOM 0 HE2 LYS D 69 7.815 -15.703 8.472 1.00 0.00 H new ATOM 0 HE3 LYS D 69 8.477 -14.937 7.042 1.00 0.00 H new ATOM 0 HZ1 LYS D 69 10.132 -15.861 8.386 1.00 0.00 H new ATOM 0 HZ2 LYS D 69 10.293 -14.172 8.326 1.00 0.00 H new ATOM 0 HZ3 LYS D 69 9.651 -14.915 9.712 1.00 0.00 H new ATOM 897 N ALA D 70 3.804 -9.819 7.403 1.00 0.00 N ATOM 898 CA ALA D 70 3.187 -8.558 7.715 1.00 0.00 C ATOM 899 C ALA D 70 1.983 -8.233 6.858 1.00 0.00 C ATOM 900 O ALA D 70 1.353 -7.214 7.079 1.00 0.00 O ATOM 901 CB ALA D 70 4.264 -7.500 7.569 1.00 0.00 C ATOM 0 H ALA D 70 4.536 -9.714 6.701 1.00 0.00 H new ATOM 0 HA ALA D 70 2.791 -8.599 8.730 1.00 0.00 H new ATOM 0 HB1 ALA D 70 3.844 -6.520 7.796 1.00 0.00 H new ATOM 0 HB2 ALA D 70 5.080 -7.714 8.259 1.00 0.00 H new ATOM 0 HB3 ALA D 70 4.642 -7.505 6.547 1.00 0.00 H new ATOM 907 N ALA D 71 1.643 -9.022 5.849 1.00 0.00 N ATOM 908 CA ALA D 71 0.688 -8.634 4.842 1.00 0.00 C ATOM 909 C ALA D 71 -0.702 -8.371 5.370 1.00 0.00 C ATOM 910 O ALA D 71 -1.237 -7.297 5.136 1.00 0.00 O ATOM 911 CB ALA D 71 0.725 -9.638 3.713 1.00 0.00 C ATOM 0 H ALA D 71 2.030 -9.956 5.712 1.00 0.00 H new ATOM 0 HA ALA D 71 0.987 -7.660 4.455 1.00 0.00 H new ATOM 0 HB1 ALA D 71 0.005 -9.351 2.947 1.00 0.00 H new ATOM 0 HB2 ALA D 71 1.725 -9.662 3.280 1.00 0.00 H new ATOM 0 HB3 ALA D 71 0.472 -10.626 4.097 1.00 0.00 H new ATOM 917 N ALA D 72 -1.283 -9.265 6.160 1.00 0.00 N ATOM 918 CA ALA D 72 -2.600 -9.071 6.712 1.00 0.00 C ATOM 919 C ALA D 72 -2.685 -7.878 7.636 1.00 0.00 C ATOM 920 O ALA D 72 -3.706 -7.335 7.839 1.00 0.00 O ATOM 921 CB ALA D 72 -3.074 -10.348 7.386 1.00 0.00 C ATOM 0 H ALA D 72 -0.845 -10.145 6.432 1.00 0.00 H new ATOM 0 HA ALA D 72 -3.272 -8.843 5.885 1.00 0.00 H new ATOM 0 HB1 ALA D 72 -4.070 -10.193 7.800 1.00 0.00 H new ATOM 0 HB2 ALA D 72 -3.107 -11.155 6.654 1.00 0.00 H new ATOM 0 HB3 ALA D 72 -2.385 -10.614 8.188 1.00 0.00 H new ATOM 927 N ALA D 73 -1.605 -7.423 8.190 1.00 0.00 N ATOM 928 CA ALA D 73 -1.466 -6.214 8.962 1.00 0.00 C ATOM 929 C ALA D 73 -1.316 -4.976 8.109 1.00 0.00 C ATOM 930 O ALA D 73 -1.800 -3.939 8.501 1.00 0.00 O ATOM 931 CB ALA D 73 -0.329 -6.394 9.939 1.00 0.00 C ATOM 0 H ALA D 73 -0.721 -7.925 8.111 1.00 0.00 H new ATOM 0 HA ALA D 73 -2.389 -6.045 9.516 1.00 0.00 H new ATOM 0 HB1 ALA D 73 -0.211 -5.487 10.531 1.00 0.00 H new ATOM 0 HB2 ALA D 73 -0.547 -7.233 10.600 1.00 0.00 H new ATOM 0 HB3 ALA D 73 0.593 -6.593 9.392 1.00 0.00 H new ATOM 937 N ALA D 74 -0.704 -5.032 6.945 1.00 0.00 N ATOM 938 CA ALA D 74 -0.587 -3.883 6.084 1.00 0.00 C ATOM 939 C ALA D 74 -1.847 -3.689 5.271 1.00 0.00 C ATOM 940 O ALA D 74 -2.488 -2.654 5.266 1.00 0.00 O ATOM 941 CB ALA D 74 0.620 -4.009 5.178 1.00 0.00 C ATOM 0 H ALA D 74 -0.274 -5.879 6.572 1.00 0.00 H new ATOM 0 HA ALA D 74 -0.450 -3.004 6.713 1.00 0.00 H new ATOM 0 HB1 ALA D 74 0.687 -3.130 4.537 1.00 0.00 H new ATOM 0 HB2 ALA D 74 1.523 -4.087 5.784 1.00 0.00 H new ATOM 0 HB3 ALA D 74 0.520 -4.901 4.560 1.00 0.00 H new ATOM 947 N ILE D 75 -2.224 -4.749 4.558 1.00 0.00 N ATOM 948 CA ILE D 75 -3.202 -4.705 3.497 1.00 0.00 C ATOM 949 C ILE D 75 -4.583 -4.458 4.074 1.00 0.00 C ATOM 950 O ILE D 75 -5.339 -3.669 3.524 1.00 0.00 O ATOM 951 CB ILE D 75 -3.223 -5.989 2.691 1.00 0.00 C ATOM 952 CG1 ILE D 75 -1.870 -6.478 2.201 1.00 0.00 C ATOM 953 CG2 ILE D 75 -4.249 -5.876 1.577 1.00 0.00 C ATOM 954 CD1 ILE D 75 -1.282 -5.738 1.011 1.00 0.00 C ATOM 0 H ILE D 75 -1.842 -5.682 4.714 1.00 0.00 H new ATOM 0 HA ILE D 75 -2.920 -3.890 2.831 1.00 0.00 H new ATOM 0 HB ILE D 75 -3.524 -6.778 3.381 1.00 0.00 H new ATOM 0 HG12 ILE D 75 -1.163 -6.415 3.028 1.00 0.00 H new ATOM 0 HG13 ILE D 75 -1.961 -7.532 1.939 1.00 0.00 H new ATOM 0 HG21 ILE D 75 -4.262 -6.800 0.999 1.00 0.00 H new ATOM 0 HG22 ILE D 75 -5.235 -5.703 2.007 1.00 0.00 H new ATOM 0 HG23 ILE D 75 -3.987 -5.044 0.924 1.00 0.00 H new ATOM 0 HD11 ILE D 75 -0.317 -6.174 0.752 1.00 0.00 H new ATOM 0 HD12 ILE D 75 -1.958 -5.821 0.160 1.00 0.00 H new ATOM 0 HD13 ILE D 75 -1.148 -4.687 1.266 1.00 0.00 H new ATOM 966 N LYS D 76 -4.905 -5.132 5.169 1.00 0.00 N ATOM 967 CA LYS D 76 -6.253 -5.139 5.691 1.00 0.00 C ATOM 968 C LYS D 76 -6.611 -3.840 6.382 1.00 0.00 C ATOM 969 O LYS D 76 -7.776 -3.502 6.395 1.00 0.00 O ATOM 970 CB LYS D 76 -6.459 -6.361 6.568 1.00 0.00 C ATOM 971 CG LYS D 76 -6.499 -7.655 5.794 1.00 0.00 C ATOM 972 CD LYS D 76 -6.662 -8.902 6.619 1.00 0.00 C ATOM 973 CE LYS D 76 -7.980 -8.995 7.297 1.00 0.00 C ATOM 974 NZ LYS D 76 -8.128 -10.172 8.076 1.00 0.00 N ATOM 0 H LYS D 76 -4.241 -5.683 5.713 1.00 0.00 H new ATOM 0 HA LYS D 76 -6.949 -5.211 4.855 1.00 0.00 H new ATOM 0 HB2 LYS D 76 -5.656 -6.411 7.303 1.00 0.00 H new ATOM 0 HB3 LYS D 76 -7.391 -6.249 7.122 1.00 0.00 H new ATOM 0 HG2 LYS D 76 -7.320 -7.604 5.079 1.00 0.00 H new ATOM 0 HG3 LYS D 76 -5.578 -7.741 5.217 1.00 0.00 H new ATOM 0 HD2 LYS D 76 -6.530 -9.773 5.977 1.00 0.00 H new ATOM 0 HD3 LYS D 76 -5.873 -8.937 7.370 1.00 0.00 H new ATOM 0 HE2 LYS D 76 -8.113 -8.124 7.938 1.00 0.00 H new ATOM 0 HE3 LYS D 76 -8.770 -8.962 6.547 1.00 0.00 H new ATOM 0 HZ1 LYS D 76 -9.067 -10.177 8.522 1.00 0.00 H new ATOM 0 HZ2 LYS D 76 -8.031 -11.008 7.464 1.00 0.00 H new ATOM 0 HZ3 LYS D 76 -7.394 -10.195 8.813 1.00 0.00 H new ATOM 988 N ALA D 77 -5.612 -3.099 6.857 1.00 0.00 N ATOM 989 CA ALA D 77 -5.736 -1.689 7.125 1.00 0.00 C ATOM 990 C ALA D 77 -5.877 -0.904 5.838 1.00 0.00 C ATOM 991 O ALA D 77 -6.883 -0.241 5.633 1.00 0.00 O ATOM 992 CB ALA D 77 -4.564 -1.252 7.981 1.00 0.00 C ATOM 0 H ALA D 77 -4.687 -3.476 7.065 1.00 0.00 H new ATOM 0 HA ALA D 77 -6.648 -1.484 7.686 1.00 0.00 H new ATOM 0 HB1 ALA D 77 -4.645 -0.186 8.192 1.00 0.00 H new ATOM 0 HB2 ALA D 77 -4.570 -1.809 8.918 1.00 0.00 H new ATOM 0 HB3 ALA D 77 -3.633 -1.447 7.450 1.00 0.00 H new ATOM 998 N ILE D 78 -4.910 -0.963 4.927 1.00 0.00 N ATOM 999 CA ILE D 78 -4.819 -0.016 3.842 1.00 0.00 C ATOM 1000 C ILE D 78 -5.948 -0.137 2.835 1.00 0.00 C ATOM 1001 O ILE D 78 -6.481 0.879 2.423 1.00 0.00 O ATOM 1002 CB ILE D 78 -3.437 -0.020 3.215 1.00 0.00 C ATOM 1003 CG1 ILE D 78 -2.793 1.347 3.047 1.00 0.00 C ATOM 1004 CG2 ILE D 78 -3.303 -0.853 1.957 1.00 0.00 C ATOM 1005 CD1 ILE D 78 -3.474 2.345 2.131 1.00 0.00 C ATOM 0 H ILE D 78 -4.174 -1.669 4.928 1.00 0.00 H new ATOM 0 HA ILE D 78 -4.958 0.974 4.277 1.00 0.00 H new ATOM 0 HB ILE D 78 -2.857 -0.532 3.983 1.00 0.00 H new ATOM 0 HG12 ILE D 78 -2.711 1.801 4.034 1.00 0.00 H new ATOM 0 HG13 ILE D 78 -1.778 1.195 2.680 1.00 0.00 H new ATOM 0 HG21 ILE D 78 -2.280 -0.791 1.587 1.00 0.00 H new ATOM 0 HG22 ILE D 78 -3.545 -1.892 2.181 1.00 0.00 H new ATOM 0 HG23 ILE D 78 -3.988 -0.477 1.197 1.00 0.00 H new ATOM 0 HD11 ILE D 78 -2.900 3.272 2.112 1.00 0.00 H new ATOM 0 HD12 ILE D 78 -3.532 1.933 1.123 1.00 0.00 H new ATOM 0 HD13 ILE D 78 -4.480 2.549 2.498 1.00 0.00 H new ATOM 1017 N ALA D 79 -6.425 -1.329 2.488 1.00 0.00 N ATOM 1018 CA ALA D 79 -7.550 -1.440 1.588 1.00 0.00 C ATOM 1019 C ALA D 79 -8.866 -0.979 2.181 1.00 0.00 C ATOM 1020 O ALA D 79 -9.723 -0.512 1.450 1.00 0.00 O ATOM 1021 CB ALA D 79 -7.634 -2.872 1.087 1.00 0.00 C ATOM 0 H ALA D 79 -6.049 -2.219 2.817 1.00 0.00 H new ATOM 0 HA ALA D 79 -7.374 -0.758 0.756 1.00 0.00 H new ATOM 0 HB1 ALA D 79 -8.479 -2.970 0.406 1.00 0.00 H new ATOM 0 HB2 ALA D 79 -6.714 -3.128 0.562 1.00 0.00 H new ATOM 0 HB3 ALA D 79 -7.769 -3.546 1.933 1.00 0.00 H new ATOM 1027 N ALA D 80 -9.004 -1.031 3.502 1.00 0.00 N ATOM 1028 CA ALA D 80 -10.139 -0.468 4.196 1.00 0.00 C ATOM 1029 C ALA D 80 -10.067 1.037 4.372 1.00 0.00 C ATOM 1030 O ALA D 80 -11.043 1.746 4.211 1.00 0.00 O ATOM 1031 CB ALA D 80 -10.242 -1.147 5.551 1.00 0.00 C ATOM 0 H ALA D 80 -8.321 -1.471 4.119 1.00 0.00 H new ATOM 0 HA ALA D 80 -11.024 -0.648 3.586 1.00 0.00 H new ATOM 0 HB1 ALA D 80 -11.093 -0.740 6.098 1.00 0.00 H new ATOM 0 HB2 ALA D 80 -10.380 -2.219 5.411 1.00 0.00 H new ATOM 0 HB3 ALA D 80 -9.328 -0.969 6.117 1.00 0.00 H new ATOM 1037 N ILE D 81 -8.863 1.547 4.613 1.00 0.00 N ATOM 1038 CA ILE D 81 -8.546 2.957 4.648 1.00 0.00 C ATOM 1039 C ILE D 81 -8.749 3.571 3.277 1.00 0.00 C ATOM 1040 O ILE D 81 -9.335 4.633 3.145 1.00 0.00 O ATOM 1041 CB ILE D 81 -7.149 3.169 5.203 1.00 0.00 C ATOM 1042 CG1 ILE D 81 -7.047 2.790 6.669 1.00 0.00 C ATOM 1043 CG2 ILE D 81 -6.711 4.608 5.033 1.00 0.00 C ATOM 1044 CD1 ILE D 81 -5.631 2.508 7.132 1.00 0.00 C ATOM 0 H ILE D 81 -8.052 0.957 4.796 1.00 0.00 H new ATOM 0 HA ILE D 81 -9.227 3.474 5.324 1.00 0.00 H new ATOM 0 HB ILE D 81 -6.491 2.513 4.633 1.00 0.00 H new ATOM 0 HG12 ILE D 81 -7.463 3.597 7.273 1.00 0.00 H new ATOM 0 HG13 ILE D 81 -7.661 1.908 6.850 1.00 0.00 H new ATOM 0 HG21 ILE D 81 -5.707 4.733 5.439 1.00 0.00 H new ATOM 0 HG22 ILE D 81 -6.709 4.865 3.974 1.00 0.00 H new ATOM 0 HG23 ILE D 81 -7.401 5.264 5.564 1.00 0.00 H new ATOM 0 HD11 ILE D 81 -5.640 2.244 8.190 1.00 0.00 H new ATOM 0 HD12 ILE D 81 -5.218 1.681 6.555 1.00 0.00 H new ATOM 0 HD13 ILE D 81 -5.016 3.396 6.985 1.00 0.00 H new ATOM 1056 N ILE D 82 -8.350 2.906 2.196 1.00 0.00 N ATOM 1057 CA ILE D 82 -8.683 3.218 0.826 1.00 0.00 C ATOM 1058 C ILE D 82 -10.165 3.334 0.533 1.00 0.00 C ATOM 1059 O ILE D 82 -10.592 4.325 -0.041 1.00 0.00 O ATOM 1060 CB ILE D 82 -8.020 2.271 -0.160 1.00 0.00 C ATOM 1061 CG1 ILE D 82 -6.529 2.576 -0.177 1.00 0.00 C ATOM 1062 CG2 ILE D 82 -8.543 2.396 -1.582 1.00 0.00 C ATOM 1063 CD1 ILE D 82 -5.633 1.660 -0.996 1.00 0.00 C ATOM 0 H ILE D 82 -7.748 2.085 2.268 1.00 0.00 H new ATOM 0 HA ILE D 82 -8.275 4.219 0.686 1.00 0.00 H new ATOM 0 HB ILE D 82 -8.243 1.257 0.173 1.00 0.00 H new ATOM 0 HG12 ILE D 82 -6.398 3.593 -0.547 1.00 0.00 H new ATOM 0 HG13 ILE D 82 -6.172 2.563 0.853 1.00 0.00 H new ATOM 0 HG21 ILE D 82 -8.021 1.688 -2.225 1.00 0.00 H new ATOM 0 HG22 ILE D 82 -9.611 2.180 -1.597 1.00 0.00 H new ATOM 0 HG23 ILE D 82 -8.372 3.410 -1.945 1.00 0.00 H new ATOM 0 HD11 ILE D 82 -4.599 1.996 -0.916 1.00 0.00 H new ATOM 0 HD12 ILE D 82 -5.713 0.640 -0.619 1.00 0.00 H new ATOM 0 HD13 ILE D 82 -5.943 1.686 -2.041 1.00 0.00 H new ATOM 1075 N LYS D 83 -10.931 2.348 0.985 1.00 0.00 N ATOM 1076 CA LYS D 83 -12.372 2.326 0.935 1.00 0.00 C ATOM 1077 C LYS D 83 -12.989 3.554 1.558 1.00 0.00 C ATOM 1078 O LYS D 83 -13.983 4.032 1.069 1.00 0.00 O ATOM 1079 CB LYS D 83 -12.867 1.007 1.486 1.00 0.00 C ATOM 1080 CG LYS D 83 -14.348 0.873 1.749 1.00 0.00 C ATOM 1081 CD LYS D 83 -15.187 1.024 0.517 1.00 0.00 C ATOM 1082 CE LYS D 83 -16.389 1.817 0.789 1.00 0.00 C ATOM 1083 NZ LYS D 83 -17.203 2.066 -0.360 1.00 0.00 N ATOM 0 H LYS D 83 -10.539 1.509 1.413 1.00 0.00 H new ATOM 0 HA LYS D 83 -12.708 2.381 -0.101 1.00 0.00 H new ATOM 0 HB2 LYS D 83 -12.577 0.221 0.789 1.00 0.00 H new ATOM 0 HB3 LYS D 83 -12.341 0.814 2.421 1.00 0.00 H new ATOM 0 HG2 LYS D 83 -14.543 -0.102 2.195 1.00 0.00 H new ATOM 0 HG3 LYS D 83 -14.649 1.624 2.479 1.00 0.00 H new ATOM 0 HD2 LYS D 83 -14.602 1.503 -0.268 1.00 0.00 H new ATOM 0 HD3 LYS D 83 -15.473 0.040 0.146 1.00 0.00 H new ATOM 0 HE2 LYS D 83 -16.988 1.301 1.539 1.00 0.00 H new ATOM 0 HE3 LYS D 83 -16.090 2.772 1.221 1.00 0.00 H new ATOM 0 HZ1 LYS D 83 -18.031 2.631 -0.083 1.00 0.00 H new ATOM 0 HZ2 LYS D 83 -16.650 2.586 -1.071 1.00 0.00 H new ATOM 0 HZ3 LYS D 83 -17.521 1.161 -0.763 1.00 0.00 H new ATOM 1097 N ALA D 84 -12.375 4.113 2.583 1.00 0.00 N ATOM 1098 CA ALA D 84 -12.757 5.340 3.229 1.00 0.00 C ATOM 1099 C ALA D 84 -12.189 6.580 2.576 1.00 0.00 C ATOM 1100 O ALA D 84 -12.843 7.600 2.551 1.00 0.00 O ATOM 1101 CB ALA D 84 -12.380 5.272 4.687 1.00 0.00 C ATOM 0 H ALA D 84 -11.548 3.693 3.007 1.00 0.00 H new ATOM 0 HA ALA D 84 -13.838 5.435 3.124 1.00 0.00 H new ATOM 0 HB1 ALA D 84 -12.668 6.200 5.181 1.00 0.00 H new ATOM 0 HB2 ALA D 84 -12.896 4.435 5.158 1.00 0.00 H new ATOM 0 HB3 ALA D 84 -11.303 5.131 4.778 1.00 0.00 H new ATOM 1107 N GLY D 85 -10.966 6.534 2.088 1.00 0.00 N ATOM 1108 CA GLY D 85 -10.282 7.640 1.460 1.00 0.00 C ATOM 1109 C GLY D 85 -10.753 7.945 0.059 1.00 0.00 C ATOM 1110 O GLY D 85 -11.304 8.994 -0.181 1.00 0.00 O ATOM 0 H GLY D 85 -10.399 5.687 2.121 1.00 0.00 H new ATOM 0 HA2 GLY D 85 -10.412 8.530 2.076 1.00 0.00 H new ATOM 0 HA3 GLY D 85 -9.214 7.424 1.433 1.00 0.00 H new ATOM 1114 N GLY D 86 -10.513 7.045 -0.880 1.00 0.00 N ATOM 1115 CA GLY D 86 -10.683 7.259 -2.285 1.00 0.00 C ATOM 1116 C GLY D 86 -9.417 7.704 -2.963 1.00 0.00 C ATOM 1117 O GLY D 86 -9.381 8.700 -3.605 1.00 0.00 O ATOM 0 H GLY D 86 -10.180 6.106 -0.661 1.00 0.00 H new ATOM 0 HA2 GLY D 86 -11.034 6.337 -2.749 1.00 0.00 H new ATOM 0 HA3 GLY D 86 -11.458 8.010 -2.443 1.00 0.00 H new ATOM 1121 N PHE D 87 -8.332 6.969 -2.800 1.00 0.00 N ATOM 1122 CA PHE D 87 -6.975 7.335 -3.071 1.00 0.00 C ATOM 1123 C PHE D 87 -6.670 7.568 -4.517 1.00 0.00 C ATOM 1124 O PHE D 87 -6.097 8.546 -4.852 1.00 0.00 O ATOM 1125 CB PHE D 87 -6.043 6.263 -2.538 1.00 0.00 C ATOM 1126 CG PHE D 87 -5.780 6.296 -1.060 1.00 0.00 C ATOM 1127 CD1 PHE D 87 -6.806 6.082 -0.143 1.00 0.00 C ATOM 1128 CD2 PHE D 87 -4.481 6.398 -0.594 1.00 0.00 C ATOM 1129 CE1 PHE D 87 -6.535 5.897 1.207 1.00 0.00 C ATOM 1130 CE2 PHE D 87 -4.187 6.215 0.752 1.00 0.00 C ATOM 1131 CZ PHE D 87 -5.221 5.983 1.654 1.00 0.00 C ATOM 0 H PHE D 87 -8.397 6.016 -2.442 1.00 0.00 H new ATOM 0 HA PHE D 87 -6.821 8.289 -2.567 1.00 0.00 H new ATOM 0 HB2 PHE D 87 -6.460 5.288 -2.791 1.00 0.00 H new ATOM 0 HB3 PHE D 87 -5.089 6.347 -3.059 1.00 0.00 H new ATOM 0 HD1 PHE D 87 -7.829 6.059 -0.487 1.00 0.00 H new ATOM 0 HD2 PHE D 87 -3.684 6.623 -1.287 1.00 0.00 H new ATOM 0 HE1 PHE D 87 -7.336 5.689 1.901 1.00 0.00 H new ATOM 0 HE2 PHE D 87 -3.164 6.253 1.095 1.00 0.00 H new ATOM 0 HZ PHE D 87 -5.002 5.869 2.705 1.00 0.00 H new HETATM 1141 N NH2 D 88 -7.001 6.690 -5.398 1.00 0.00 N TER 1144 NH2 D 88