USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=6 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+ -122:sc= 1.05 (180deg=-0.287) USER MOD Single : A 21 TYR OH : rot 104:sc= 0.857 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+ -130:sc= 1.02 (180deg=-0.091) USER MOD Single : B 43 TYR OH : rot -66:sc= 0.992 USER MOD Single : C 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 65 TYR OH : rot 112:sc= 0.203 USER MOD Single : D 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 87 TYR OH : rot 77:sc= 0.728 USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 1 -1.145 16.270 0.008 1.00 0.00 C HETATM 2 O ACE A 1 -1.883 16.150 -0.938 1.00 0.00 O HETATM 3 CH3 ACE A 1 -0.711 17.644 0.439 1.00 0.00 C HETATM 0 H1 ACE A 1 -1.032 17.822 1.465 1.00 0.00 H new HETATM 0 H2 ACE A 1 0.375 17.718 0.381 1.00 0.00 H new HETATM 0 H3 ACE A 1 -1.161 18.390 -0.216 1.00 0.00 H new ATOM 7 N ALA A 2 -0.676 15.239 0.659 1.00 0.00 N ATOM 8 CA ALA A 2 -0.801 13.856 0.298 1.00 0.00 C ATOM 9 C ALA A 2 -0.323 13.539 -1.089 1.00 0.00 C ATOM 10 O ALA A 2 -0.757 12.569 -1.678 1.00 0.00 O ATOM 11 CB ALA A 2 -2.173 13.339 0.644 1.00 0.00 C ATOM 0 H ALA A 2 -0.154 15.358 1.527 1.00 0.00 H new ATOM 0 HA ALA A 2 -0.101 13.289 0.912 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -2.248 12.289 0.362 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -2.340 13.440 1.716 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -2.925 13.914 0.104 1.00 0.00 H new ATOM 17 N LYS A 3 0.576 14.313 -1.667 1.00 0.00 N ATOM 18 CA LYS A 3 1.162 14.081 -2.962 1.00 0.00 C ATOM 19 C LYS A 3 1.873 12.759 -3.138 1.00 0.00 C ATOM 20 O LYS A 3 1.901 12.223 -4.218 1.00 0.00 O ATOM 21 CB LYS A 3 2.153 15.199 -3.217 1.00 0.00 C ATOM 22 CG LYS A 3 1.582 16.584 -3.331 1.00 0.00 C ATOM 23 CD LYS A 3 2.596 17.571 -3.762 1.00 0.00 C ATOM 24 CE LYS A 3 2.034 18.886 -4.026 1.00 0.00 C ATOM 25 NZ LYS A 3 2.987 19.766 -4.352 1.00 0.00 N ATOM 0 H LYS A 3 0.930 15.159 -1.220 1.00 0.00 H new ATOM 0 HA LYS A 3 0.334 14.053 -3.671 1.00 0.00 H new ATOM 0 HB2 LYS A 3 2.886 15.197 -2.410 1.00 0.00 H new ATOM 0 HB3 LYS A 3 2.692 14.975 -4.138 1.00 0.00 H new ATOM 0 HG2 LYS A 3 0.757 16.578 -4.043 1.00 0.00 H new ATOM 0 HG3 LYS A 3 1.169 16.886 -2.368 1.00 0.00 H new ATOM 0 HD2 LYS A 3 3.361 17.657 -2.991 1.00 0.00 H new ATOM 0 HD3 LYS A 3 3.090 17.206 -4.662 1.00 0.00 H new ATOM 0 HE2 LYS A 3 1.307 18.817 -4.836 1.00 0.00 H new ATOM 0 HE3 LYS A 3 1.497 19.238 -3.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 2.555 20.694 -4.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 3.666 19.848 -3.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 3.482 19.441 -5.207 1.00 0.00 H new ATOM 39 N ALA A 4 2.476 12.229 -2.086 1.00 0.00 N ATOM 40 CA ALA A 4 3.056 10.911 -2.049 1.00 0.00 C ATOM 41 C ALA A 4 2.083 9.812 -2.430 1.00 0.00 C ATOM 42 O ALA A 4 2.491 8.740 -2.848 1.00 0.00 O ATOM 43 CB ALA A 4 3.599 10.678 -0.655 1.00 0.00 C ATOM 0 H ALA A 4 2.575 12.731 -1.204 1.00 0.00 H new ATOM 0 HA ALA A 4 3.850 10.869 -2.795 1.00 0.00 H new ATOM 0 HB1 ALA A 4 4.045 9.685 -0.599 1.00 0.00 H new ATOM 0 HB2 ALA A 4 4.356 11.429 -0.429 1.00 0.00 H new ATOM 0 HB3 ALA A 4 2.787 10.752 0.069 1.00 0.00 H new ATOM 49 N ALA A 5 0.785 10.094 -2.384 1.00 0.00 N ATOM 50 CA ALA A 5 -0.270 9.131 -2.565 1.00 0.00 C ATOM 51 C ALA A 5 -0.366 8.690 -4.013 1.00 0.00 C ATOM 52 O ALA A 5 0.180 7.673 -4.397 1.00 0.00 O ATOM 53 CB ALA A 5 -1.553 9.634 -1.918 1.00 0.00 C ATOM 0 H ALA A 5 0.437 11.037 -2.213 1.00 0.00 H new ATOM 0 HA ALA A 5 -0.043 8.205 -2.037 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -2.345 8.899 -2.060 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -1.387 9.787 -0.852 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -1.847 10.577 -2.378 1.00 0.00 H new ATOM 59 N ALA A 6 -1.082 9.419 -4.854 1.00 0.00 N ATOM 60 CA ALA A 6 -1.354 9.051 -6.217 1.00 0.00 C ATOM 61 C ALA A 6 -0.158 9.083 -7.132 1.00 0.00 C ATOM 62 O ALA A 6 -0.318 8.980 -8.332 1.00 0.00 O ATOM 63 CB ALA A 6 -2.516 9.838 -6.777 1.00 0.00 C ATOM 0 H ALA A 6 -1.500 10.311 -4.589 1.00 0.00 H new ATOM 0 HA ALA A 6 -1.636 7.999 -6.177 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -2.696 9.536 -7.809 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -3.408 9.644 -6.181 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -2.283 10.902 -6.745 1.00 0.00 H new ATOM 69 N ALA A 7 1.048 9.242 -6.627 1.00 0.00 N ATOM 70 CA ALA A 7 2.268 8.826 -7.269 1.00 0.00 C ATOM 71 C ALA A 7 2.575 7.369 -7.021 1.00 0.00 C ATOM 72 O ALA A 7 2.639 6.598 -7.948 1.00 0.00 O ATOM 73 CB ALA A 7 3.394 9.702 -6.760 1.00 0.00 C ATOM 0 H ALA A 7 1.206 9.683 -5.721 1.00 0.00 H new ATOM 0 HA ALA A 7 2.155 8.938 -8.347 1.00 0.00 H new ATOM 0 HB1 ALA A 7 4.329 9.404 -7.234 1.00 0.00 H new ATOM 0 HB2 ALA A 7 3.181 10.744 -7.000 1.00 0.00 H new ATOM 0 HB3 ALA A 7 3.483 9.589 -5.679 1.00 0.00 H new ATOM 79 N ALA A 8 2.707 6.914 -5.794 1.00 0.00 N ATOM 80 CA ALA A 8 3.228 5.616 -5.429 1.00 0.00 C ATOM 81 C ALA A 8 2.127 4.572 -5.439 1.00 0.00 C ATOM 82 O ALA A 8 2.317 3.492 -5.969 1.00 0.00 O ATOM 83 CB ALA A 8 3.830 5.716 -4.034 1.00 0.00 C ATOM 0 H ALA A 8 2.439 7.470 -4.982 1.00 0.00 H new ATOM 0 HA ALA A 8 3.987 5.313 -6.151 1.00 0.00 H new ATOM 0 HB1 ALA A 8 4.229 4.745 -3.740 1.00 0.00 H new ATOM 0 HB2 ALA A 8 4.633 6.453 -4.036 1.00 0.00 H new ATOM 0 HB3 ALA A 8 3.059 6.021 -3.326 1.00 0.00 H new ATOM 89 N ILE A 9 0.956 4.922 -4.928 1.00 0.00 N ATOM 90 CA ILE A 9 -0.262 4.150 -5.020 1.00 0.00 C ATOM 91 C ILE A 9 -0.623 3.829 -6.459 1.00 0.00 C ATOM 92 O ILE A 9 -1.032 2.718 -6.737 1.00 0.00 O ATOM 93 CB ILE A 9 -1.417 4.903 -4.380 1.00 0.00 C ATOM 94 CG1 ILE A 9 -1.189 5.336 -2.941 1.00 0.00 C ATOM 95 CG2 ILE A 9 -2.716 4.131 -4.483 1.00 0.00 C ATOM 96 CD1 ILE A 9 -0.975 4.209 -1.971 1.00 0.00 C ATOM 0 H ILE A 9 0.829 5.794 -4.415 1.00 0.00 H new ATOM 0 HA ILE A 9 -0.085 3.214 -4.490 1.00 0.00 H new ATOM 0 HB ILE A 9 -1.484 5.821 -4.964 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -0.322 5.995 -2.908 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -2.047 5.922 -2.612 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -3.517 4.702 -4.014 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -2.957 3.962 -5.533 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -2.610 3.172 -3.976 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -0.821 4.614 -0.971 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -1.851 3.560 -1.969 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -0.098 3.634 -2.269 1.00 0.00 H new ATOM 108 N LYS A 10 -0.523 4.799 -7.364 1.00 0.00 N ATOM 109 CA LYS A 10 -0.905 4.626 -8.743 1.00 0.00 C ATOM 110 C LYS A 10 -0.089 3.563 -9.446 1.00 0.00 C ATOM 111 O LYS A 10 -0.645 2.782 -10.189 1.00 0.00 O ATOM 112 CB LYS A 10 -0.834 5.954 -9.479 1.00 0.00 C ATOM 113 CG LYS A 10 -2.151 6.601 -9.675 1.00 0.00 C ATOM 114 CD LYS A 10 -2.166 7.705 -10.693 1.00 0.00 C ATOM 115 CE LYS A 10 -3.440 8.255 -11.008 1.00 0.00 C ATOM 116 NZ LYS A 10 -3.550 9.097 -12.013 1.00 0.00 N ATOM 0 H LYS A 10 -0.170 5.731 -7.148 1.00 0.00 H new ATOM 0 HA LYS A 10 -1.936 4.273 -8.753 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -0.186 6.632 -8.924 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -0.370 5.795 -10.452 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -2.873 5.841 -9.974 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -2.488 7.003 -8.719 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -1.525 8.510 -10.334 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -1.719 7.328 -11.613 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -4.116 7.423 -11.203 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -3.807 8.761 -10.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -4.541 9.400 -12.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -2.949 9.927 -11.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -3.248 8.630 -12.892 1.00 0.00 H new ATOM 130 N ALA A 11 1.212 3.523 -9.178 1.00 0.00 N ATOM 131 CA ALA A 11 2.057 2.409 -9.537 1.00 0.00 C ATOM 132 C ALA A 11 1.642 1.137 -8.822 1.00 0.00 C ATOM 133 O ALA A 11 1.445 0.112 -9.447 1.00 0.00 O ATOM 134 CB ALA A 11 3.509 2.764 -9.293 1.00 0.00 C ATOM 0 H ALA A 11 1.707 4.276 -8.700 1.00 0.00 H new ATOM 0 HA ALA A 11 1.936 2.207 -10.601 1.00 0.00 H new ATOM 0 HB1 ALA A 11 4.141 1.919 -9.566 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.779 3.629 -9.898 1.00 0.00 H new ATOM 0 HB3 ALA A 11 3.654 3.000 -8.239 1.00 0.00 H new ATOM 140 N ILE A 12 1.427 1.159 -7.510 1.00 0.00 N ATOM 141 CA ILE A 12 1.152 -0.026 -6.731 1.00 0.00 C ATOM 142 C ILE A 12 -0.159 -0.650 -7.170 1.00 0.00 C ATOM 143 O ILE A 12 -0.234 -1.852 -7.377 1.00 0.00 O ATOM 144 CB ILE A 12 1.340 0.132 -5.229 1.00 0.00 C ATOM 145 CG1 ILE A 12 2.203 -1.019 -4.768 1.00 0.00 C ATOM 146 CG2 ILE A 12 0.079 0.255 -4.405 1.00 0.00 C ATOM 147 CD1 ILE A 12 2.434 -1.229 -3.301 1.00 0.00 C ATOM 0 H ILE A 12 1.441 2.017 -6.958 1.00 0.00 H new ATOM 0 HA ILE A 12 1.932 -0.753 -6.955 1.00 0.00 H new ATOM 0 HB ILE A 12 1.816 1.098 -5.061 1.00 0.00 H new ATOM 0 HG12 ILE A 12 1.764 -1.935 -5.164 1.00 0.00 H new ATOM 0 HG13 ILE A 12 3.179 -0.904 -5.239 1.00 0.00 H new ATOM 0 HG21 ILE A 12 0.341 0.362 -3.352 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -0.484 1.130 -4.730 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -0.531 -0.639 -4.538 1.00 0.00 H new ATOM 0 HD11 ILE A 12 3.075 -2.098 -3.154 1.00 0.00 H new ATOM 0 HD12 ILE A 12 2.916 -0.347 -2.879 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.479 -1.394 -2.802 1.00 0.00 H new ATOM 159 N ALA A 13 -1.225 0.115 -7.390 1.00 0.00 N ATOM 160 CA ALA A 13 -2.483 -0.466 -7.802 1.00 0.00 C ATOM 161 C ALA A 13 -2.436 -1.143 -9.159 1.00 0.00 C ATOM 162 O ALA A 13 -3.272 -1.986 -9.457 1.00 0.00 O ATOM 163 CB ALA A 13 -3.508 0.648 -7.740 1.00 0.00 C ATOM 0 H ALA A 13 -1.236 1.130 -7.289 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.748 -1.282 -7.130 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.482 0.264 -8.043 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.569 1.030 -6.721 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -3.211 1.453 -8.412 1.00 0.00 H new ATOM 169 N ALA A 14 -1.461 -0.808 -9.991 1.00 0.00 N ATOM 170 CA ALA A 14 -1.165 -1.493 -11.227 1.00 0.00 C ATOM 171 C ALA A 14 -0.278 -2.701 -11.035 1.00 0.00 C ATOM 172 O ALA A 14 -0.532 -3.752 -11.592 1.00 0.00 O ATOM 173 CB ALA A 14 -0.541 -0.525 -12.203 1.00 0.00 C ATOM 0 H ALA A 14 -0.835 -0.023 -9.812 1.00 0.00 H new ATOM 0 HA ALA A 14 -2.108 -1.868 -11.626 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -0.318 -1.042 -13.136 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -1.235 0.293 -12.399 1.00 0.00 H new ATOM 0 HB3 ALA A 14 0.381 -0.125 -11.780 1.00 0.00 H new ATOM 179 N ILE A 15 0.724 -2.573 -10.169 1.00 0.00 N ATOM 180 CA ILE A 15 1.620 -3.632 -9.761 1.00 0.00 C ATOM 181 C ILE A 15 0.903 -4.725 -8.995 1.00 0.00 C ATOM 182 O ILE A 15 1.243 -5.876 -9.186 1.00 0.00 O ATOM 183 CB ILE A 15 2.779 -3.066 -8.961 1.00 0.00 C ATOM 184 CG1 ILE A 15 3.638 -2.161 -9.821 1.00 0.00 C ATOM 185 CG2 ILE A 15 3.662 -4.146 -8.375 1.00 0.00 C ATOM 186 CD1 ILE A 15 4.526 -1.186 -9.077 1.00 0.00 C ATOM 0 H ILE A 15 0.936 -1.684 -9.716 1.00 0.00 H new ATOM 0 HA ILE A 15 2.017 -4.094 -10.665 1.00 0.00 H new ATOM 0 HB ILE A 15 2.332 -2.500 -8.144 1.00 0.00 H new ATOM 0 HG12 ILE A 15 4.268 -2.785 -10.454 1.00 0.00 H new ATOM 0 HG13 ILE A 15 2.984 -1.594 -10.483 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.475 -3.686 -7.813 1.00 0.00 H new ATOM 0 HG22 ILE A 15 3.072 -4.777 -7.710 1.00 0.00 H new ATOM 0 HG23 ILE A 15 4.076 -4.754 -9.180 1.00 0.00 H new ATOM 0 HD11 ILE A 15 5.094 -0.592 -9.793 1.00 0.00 H new ATOM 0 HD12 ILE A 15 3.910 -0.527 -8.465 1.00 0.00 H new ATOM 0 HD13 ILE A 15 5.214 -1.737 -8.436 1.00 0.00 H new ATOM 198 N ILE A 16 -0.132 -4.422 -8.226 1.00 0.00 N ATOM 199 CA ILE A 16 -1.008 -5.369 -7.579 1.00 0.00 C ATOM 200 C ILE A 16 -1.713 -6.264 -8.578 1.00 0.00 C ATOM 201 O ILE A 16 -1.635 -7.480 -8.501 1.00 0.00 O ATOM 202 CB ILE A 16 -1.979 -4.635 -6.670 1.00 0.00 C ATOM 203 CG1 ILE A 16 -1.177 -4.201 -5.464 1.00 0.00 C ATOM 204 CG2 ILE A 16 -3.147 -5.482 -6.198 1.00 0.00 C ATOM 205 CD1 ILE A 16 -1.897 -3.573 -4.291 1.00 0.00 C ATOM 0 H ILE A 16 -0.391 -3.455 -8.030 1.00 0.00 H new ATOM 0 HA ILE A 16 -0.405 -6.034 -6.961 1.00 0.00 H new ATOM 0 HB ILE A 16 -2.418 -3.809 -7.229 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -0.643 -5.075 -5.092 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -0.425 -3.490 -5.807 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -3.793 -4.885 -5.554 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -3.716 -5.830 -7.060 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -2.772 -6.340 -5.640 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -1.176 -3.321 -3.514 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -2.407 -2.667 -4.620 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.628 -4.277 -3.893 1.00 0.00 H new ATOM 217 N LYS A 17 -2.397 -5.645 -9.536 1.00 0.00 N ATOM 218 CA LYS A 17 -3.066 -6.248 -10.664 1.00 0.00 C ATOM 219 C LYS A 17 -2.158 -7.130 -11.496 1.00 0.00 C ATOM 220 O LYS A 17 -2.564 -8.202 -11.887 1.00 0.00 O ATOM 221 CB LYS A 17 -3.664 -5.110 -11.480 1.00 0.00 C ATOM 222 CG LYS A 17 -4.926 -4.531 -10.866 1.00 0.00 C ATOM 223 CD LYS A 17 -5.477 -3.401 -11.698 1.00 0.00 C ATOM 224 CE LYS A 17 -6.591 -2.688 -10.963 1.00 0.00 C ATOM 225 NZ LYS A 17 -6.102 -1.891 -9.877 1.00 0.00 N ATOM 0 H LYS A 17 -2.500 -4.630 -9.535 1.00 0.00 H new ATOM 0 HA LYS A 17 -3.844 -6.925 -10.311 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -2.922 -4.318 -11.584 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -3.889 -5.471 -12.484 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.678 -5.314 -10.771 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.711 -4.172 -9.860 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -4.681 -2.695 -11.934 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -5.850 -3.789 -12.646 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -7.135 -2.052 -11.661 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -7.300 -3.423 -10.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -6.547 -2.202 -8.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -5.070 -2.000 -9.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -6.333 -0.892 -10.048 1.00 0.00 H new ATOM 239 N ALA A 18 -0.916 -6.718 -11.707 1.00 0.00 N ATOM 240 CA ALA A 18 0.087 -7.484 -12.409 1.00 0.00 C ATOM 241 C ALA A 18 0.809 -8.512 -11.564 1.00 0.00 C ATOM 242 O ALA A 18 1.288 -9.484 -12.081 1.00 0.00 O ATOM 243 CB ALA A 18 1.051 -6.503 -13.034 1.00 0.00 C ATOM 0 H ALA A 18 -0.575 -5.813 -11.382 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.418 -8.085 -13.166 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.825 -7.048 -13.574 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.513 -5.855 -13.726 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.511 -5.898 -12.253 1.00 0.00 H new ATOM 249 N GLY A 19 0.876 -8.323 -10.263 1.00 0.00 N ATOM 250 CA GLY A 19 1.602 -9.072 -9.274 1.00 0.00 C ATOM 251 C GLY A 19 0.945 -10.335 -8.777 1.00 0.00 C ATOM 252 O GLY A 19 1.612 -11.223 -8.332 1.00 0.00 O ATOM 0 H GLY A 19 0.364 -7.554 -9.831 1.00 0.00 H new ATOM 0 HA2 GLY A 19 2.575 -9.333 -9.689 1.00 0.00 H new ATOM 0 HA3 GLY A 19 1.785 -8.422 -8.418 1.00 0.00 H new ATOM 256 N GLY A 20 -0.364 -10.433 -8.839 1.00 0.00 N ATOM 257 CA GLY A 20 -1.118 -11.575 -8.424 1.00 0.00 C ATOM 258 C GLY A 20 -1.266 -11.716 -6.926 1.00 0.00 C ATOM 259 O GLY A 20 -1.329 -12.809 -6.410 1.00 0.00 O ATOM 0 H GLY A 20 -0.950 -9.680 -9.198 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -2.111 -11.522 -8.871 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -0.640 -12.473 -8.816 1.00 0.00 H new ATOM 263 N TYR A 21 -1.318 -10.614 -6.195 1.00 0.00 N ATOM 264 CA TYR A 21 -1.507 -10.573 -4.787 1.00 0.00 C ATOM 265 C TYR A 21 -2.699 -11.307 -4.292 1.00 0.00 C ATOM 266 O TYR A 21 -2.619 -11.975 -3.321 1.00 0.00 O ATOM 267 CB TYR A 21 -1.533 -9.123 -4.377 1.00 0.00 C ATOM 268 CG TYR A 21 -0.217 -8.495 -4.006 1.00 0.00 C ATOM 269 CD1 TYR A 21 0.441 -8.738 -2.810 1.00 0.00 C ATOM 270 CD2 TYR A 21 0.271 -7.512 -4.854 1.00 0.00 C ATOM 271 CE1 TYR A 21 1.527 -7.940 -2.446 1.00 0.00 C ATOM 272 CE2 TYR A 21 1.365 -6.711 -4.519 1.00 0.00 C ATOM 273 CZ TYR A 21 1.990 -6.928 -3.293 1.00 0.00 C ATOM 274 OH TYR A 21 3.085 -6.194 -2.961 1.00 0.00 O ATOM 0 H TYR A 21 -1.223 -9.686 -6.607 1.00 0.00 H new ATOM 0 HA TYR A 21 -0.677 -11.104 -4.321 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -1.964 -8.547 -5.196 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -2.208 -9.023 -3.527 1.00 0.00 H new ATOM 0 HD1 TYR A 21 0.115 -9.540 -2.164 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -0.212 -7.360 -5.808 1.00 0.00 H new ATOM 0 HE1 TYR A 21 2.016 -8.106 -1.498 1.00 0.00 H new ATOM 0 HE2 TYR A 21 1.717 -5.944 -5.193 1.00 0.00 H new ATOM 0 HH TYR A 21 3.851 -6.489 -3.496 1.00 0.00 H new HETATM 284 N NH2 A 22 -3.823 -11.221 -4.919 1.00 0.00 N TER 287 NH2 A 22 HETATM 288 C ACE B 23 1.032 -15.030 -4.018 1.00 0.00 C HETATM 289 O ACE B 23 1.868 -15.681 -3.466 1.00 0.00 O HETATM 290 CH3 ACE B 23 0.212 -15.677 -5.082 1.00 0.00 C HETATM 0 H1 ACE B 23 -0.841 -15.643 -4.801 1.00 0.00 H new HETATM 0 H2 ACE B 23 0.354 -15.146 -6.024 1.00 0.00 H new HETATM 0 H3 ACE B 23 0.523 -16.715 -5.200 1.00 0.00 H new ATOM 294 N ALA B 24 0.749 -13.793 -3.701 1.00 0.00 N ATOM 295 CA ALA B 24 1.289 -12.976 -2.661 1.00 0.00 C ATOM 296 C ALA B 24 2.781 -12.769 -2.605 1.00 0.00 C ATOM 297 O ALA B 24 3.217 -11.950 -1.809 1.00 0.00 O ATOM 298 CB ALA B 24 0.754 -13.450 -1.351 1.00 0.00 C ATOM 0 H ALA B 24 0.049 -13.279 -4.235 1.00 0.00 H new ATOM 0 HA ALA B 24 0.950 -11.971 -2.911 1.00 0.00 H new ATOM 0 HB1 ALA B 24 1.159 -12.834 -0.548 1.00 0.00 H new ATOM 0 HB2 ALA B 24 -0.333 -13.374 -1.353 1.00 0.00 H new ATOM 0 HB3 ALA B 24 1.045 -14.489 -1.193 1.00 0.00 H new ATOM 304 N LYS B 25 3.596 -13.393 -3.447 1.00 0.00 N ATOM 305 CA LYS B 25 5.015 -13.165 -3.566 1.00 0.00 C ATOM 306 C LYS B 25 5.392 -11.834 -4.178 1.00 0.00 C ATOM 307 O LYS B 25 6.520 -11.389 -4.031 1.00 0.00 O ATOM 308 CB LYS B 25 5.686 -14.258 -4.369 1.00 0.00 C ATOM 309 CG LYS B 25 5.645 -15.630 -3.787 1.00 0.00 C ATOM 310 CD LYS B 25 6.365 -16.658 -4.611 1.00 0.00 C ATOM 311 CE LYS B 25 7.015 -17.454 -3.964 1.00 0.00 C ATOM 312 NZ LYS B 25 7.748 -18.410 -4.687 1.00 0.00 N ATOM 0 H LYS B 25 3.259 -14.106 -4.094 1.00 0.00 H new ATOM 0 HA LYS B 25 5.367 -13.164 -2.535 1.00 0.00 H new ATOM 0 HB2 LYS B 25 5.222 -14.291 -5.355 1.00 0.00 H new ATOM 0 HB3 LYS B 25 6.730 -13.981 -4.517 1.00 0.00 H new ATOM 0 HG2 LYS B 25 6.084 -15.605 -2.789 1.00 0.00 H new ATOM 0 HG3 LYS B 25 4.605 -15.934 -3.670 1.00 0.00 H new ATOM 0 HD2 LYS B 25 5.635 -17.204 -5.208 1.00 0.00 H new ATOM 0 HD3 LYS B 25 7.029 -16.147 -5.308 1.00 0.00 H new ATOM 0 HE2 LYS B 25 7.710 -16.895 -3.338 1.00 0.00 H new ATOM 0 HE3 LYS B 25 6.336 -17.982 -3.294 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 8.259 -19.029 -4.025 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 7.099 -18.981 -5.265 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 8.430 -17.928 -5.307 1.00 0.00 H new ATOM 326 N ALA B 26 4.429 -11.127 -4.761 1.00 0.00 N ATOM 327 CA ALA B 26 4.482 -9.755 -5.195 1.00 0.00 C ATOM 328 C ALA B 26 4.802 -8.776 -4.082 1.00 0.00 C ATOM 329 O ALA B 26 4.956 -7.587 -4.319 1.00 0.00 O ATOM 330 CB ALA B 26 3.127 -9.442 -5.799 1.00 0.00 C ATOM 0 H ALA B 26 3.519 -11.545 -4.953 1.00 0.00 H new ATOM 0 HA ALA B 26 5.294 -9.641 -5.914 1.00 0.00 H new ATOM 0 HB1 ALA B 26 3.113 -8.409 -6.146 1.00 0.00 H new ATOM 0 HB2 ALA B 26 2.941 -10.110 -6.640 1.00 0.00 H new ATOM 0 HB3 ALA B 26 2.352 -9.582 -5.046 1.00 0.00 H new ATOM 336 N ALA B 27 4.897 -9.239 -2.842 1.00 0.00 N ATOM 337 CA ALA B 27 5.036 -8.484 -1.626 1.00 0.00 C ATOM 338 C ALA B 27 6.245 -7.571 -1.611 1.00 0.00 C ATOM 339 O ALA B 27 6.155 -6.399 -1.951 1.00 0.00 O ATOM 340 CB ALA B 27 4.899 -9.437 -0.449 1.00 0.00 C ATOM 0 H ALA B 27 4.876 -10.242 -2.657 1.00 0.00 H new ATOM 0 HA ALA B 27 4.227 -7.758 -1.544 1.00 0.00 H new ATOM 0 HB1 ALA B 27 5.002 -8.881 0.483 1.00 0.00 H new ATOM 0 HB2 ALA B 27 3.920 -9.915 -0.480 1.00 0.00 H new ATOM 0 HB3 ALA B 27 5.677 -10.199 -0.505 1.00 0.00 H new ATOM 346 N ALA B 28 7.416 -8.088 -1.249 1.00 0.00 N ATOM 347 CA ALA B 28 8.594 -7.267 -1.098 1.00 0.00 C ATOM 348 C ALA B 28 9.190 -6.877 -2.432 1.00 0.00 C ATOM 349 O ALA B 28 10.289 -6.367 -2.491 1.00 0.00 O ATOM 350 CB ALA B 28 9.602 -7.937 -0.189 1.00 0.00 C ATOM 0 H ALA B 28 7.566 -9.078 -1.056 1.00 0.00 H new ATOM 0 HA ALA B 28 8.292 -6.335 -0.620 1.00 0.00 H new ATOM 0 HB1 ALA B 28 10.481 -7.301 -0.089 1.00 0.00 H new ATOM 0 HB2 ALA B 28 9.157 -8.097 0.793 1.00 0.00 H new ATOM 0 HB3 ALA B 28 9.895 -8.897 -0.615 1.00 0.00 H new ATOM 356 N ALA B 29 8.495 -7.058 -3.546 1.00 0.00 N ATOM 357 CA ALA B 29 8.769 -6.472 -4.837 1.00 0.00 C ATOM 358 C ALA B 29 7.895 -5.282 -5.170 1.00 0.00 C ATOM 359 O ALA B 29 8.103 -4.669 -6.193 1.00 0.00 O ATOM 360 CB ALA B 29 8.606 -7.554 -5.891 1.00 0.00 C ATOM 0 H ALA B 29 7.671 -7.659 -3.566 1.00 0.00 H new ATOM 0 HA ALA B 29 9.788 -6.085 -4.814 1.00 0.00 H new ATOM 0 HB1 ALA B 29 8.808 -7.135 -6.877 1.00 0.00 H new ATOM 0 HB2 ALA B 29 9.306 -8.365 -5.691 1.00 0.00 H new ATOM 0 HB3 ALA B 29 7.587 -7.939 -5.863 1.00 0.00 H new ATOM 366 N ALA B 30 6.963 -4.907 -4.308 1.00 0.00 N ATOM 367 CA ALA B 30 6.303 -3.628 -4.347 1.00 0.00 C ATOM 368 C ALA B 30 6.254 -2.910 -3.015 1.00 0.00 C ATOM 369 O ALA B 30 6.562 -1.735 -2.914 1.00 0.00 O ATOM 370 CB ALA B 30 4.891 -3.795 -4.873 1.00 0.00 C ATOM 0 H ALA B 30 6.642 -5.504 -3.546 1.00 0.00 H new ATOM 0 HA ALA B 30 6.903 -3.006 -5.011 1.00 0.00 H new ATOM 0 HB1 ALA B 30 4.396 -2.824 -4.901 1.00 0.00 H new ATOM 0 HB2 ALA B 30 4.925 -4.214 -5.879 1.00 0.00 H new ATOM 0 HB3 ALA B 30 4.336 -4.467 -4.218 1.00 0.00 H new ATOM 376 N ILE B 31 5.953 -3.629 -1.936 1.00 0.00 N ATOM 377 CA ILE B 31 5.851 -3.094 -0.597 1.00 0.00 C ATOM 378 C ILE B 31 7.189 -2.572 -0.106 1.00 0.00 C ATOM 379 O ILE B 31 7.208 -1.615 0.658 1.00 0.00 O ATOM 380 CB ILE B 31 5.331 -4.148 0.368 1.00 0.00 C ATOM 381 CG1 ILE B 31 4.026 -4.821 -0.031 1.00 0.00 C ATOM 382 CG2 ILE B 31 5.137 -3.572 1.761 1.00 0.00 C ATOM 383 CD1 ILE B 31 2.956 -3.903 -0.473 1.00 0.00 C ATOM 0 H ILE B 31 5.769 -4.631 -1.980 1.00 0.00 H new ATOM 0 HA ILE B 31 5.146 -2.263 -0.634 1.00 0.00 H new ATOM 0 HB ILE B 31 6.110 -4.910 0.344 1.00 0.00 H new ATOM 0 HG12 ILE B 31 4.231 -5.528 -0.835 1.00 0.00 H new ATOM 0 HG13 ILE B 31 3.660 -5.399 0.817 1.00 0.00 H new ATOM 0 HG21 ILE B 31 4.765 -4.350 2.428 1.00 0.00 H new ATOM 0 HG22 ILE B 31 6.090 -3.198 2.136 1.00 0.00 H new ATOM 0 HG23 ILE B 31 4.417 -2.754 1.720 1.00 0.00 H new ATOM 0 HD11 ILE B 31 2.068 -4.478 -0.735 1.00 0.00 H new ATOM 0 HD12 ILE B 31 2.714 -3.211 0.333 1.00 0.00 H new ATOM 0 HD13 ILE B 31 3.295 -3.342 -1.344 1.00 0.00 H new ATOM 395 N LYS B 32 8.315 -3.140 -0.523 1.00 0.00 N ATOM 396 CA LYS B 32 9.627 -2.775 -0.032 1.00 0.00 C ATOM 397 C LYS B 32 10.054 -1.406 -0.528 1.00 0.00 C ATOM 398 O LYS B 32 10.542 -0.597 0.250 1.00 0.00 O ATOM 399 CB LYS B 32 10.591 -3.888 -0.418 1.00 0.00 C ATOM 400 CG LYS B 32 11.700 -4.174 0.560 1.00 0.00 C ATOM 401 CD LYS B 32 12.819 -3.201 0.515 1.00 0.00 C ATOM 402 CE LYS B 32 13.771 -3.476 1.627 1.00 0.00 C ATOM 403 NZ LYS B 32 14.878 -2.586 1.639 1.00 0.00 N ATOM 0 H LYS B 32 8.336 -3.880 -1.225 1.00 0.00 H new ATOM 0 HA LYS B 32 9.617 -2.679 1.054 1.00 0.00 H new ATOM 0 HB2 LYS B 32 10.017 -4.803 -0.563 1.00 0.00 H new ATOM 0 HB3 LYS B 32 11.038 -3.636 -1.380 1.00 0.00 H new ATOM 0 HG2 LYS B 32 11.285 -4.187 1.568 1.00 0.00 H new ATOM 0 HG3 LYS B 32 12.093 -5.172 0.364 1.00 0.00 H new ATOM 0 HD2 LYS B 32 13.335 -3.270 -0.443 1.00 0.00 H new ATOM 0 HD3 LYS B 32 12.433 -2.185 0.597 1.00 0.00 H new ATOM 0 HE2 LYS B 32 13.242 -3.403 2.578 1.00 0.00 H new ATOM 0 HE3 LYS B 32 14.135 -4.500 1.542 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 15.506 -2.824 2.433 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 15.402 -2.672 0.745 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 14.537 -1.610 1.748 1.00 0.00 H new ATOM 417 N ALA B 33 9.737 -1.087 -1.780 1.00 0.00 N ATOM 418 CA ALA B 33 9.798 0.265 -2.291 1.00 0.00 C ATOM 419 C ALA B 33 8.792 1.171 -1.604 1.00 0.00 C ATOM 420 O ALA B 33 9.166 2.241 -1.148 1.00 0.00 O ATOM 421 CB ALA B 33 9.657 0.180 -3.801 1.00 0.00 C ATOM 0 H ALA B 33 9.428 -1.772 -2.470 1.00 0.00 H new ATOM 0 HA ALA B 33 10.754 0.737 -2.065 1.00 0.00 H new ATOM 0 HB1 ALA B 33 9.698 1.182 -4.227 1.00 0.00 H new ATOM 0 HB2 ALA B 33 10.469 -0.421 -4.209 1.00 0.00 H new ATOM 0 HB3 ALA B 33 8.702 -0.282 -4.052 1.00 0.00 H new ATOM 427 N ILE B 34 7.546 0.728 -1.466 1.00 0.00 N ATOM 428 CA ILE B 34 6.481 1.568 -0.970 1.00 0.00 C ATOM 429 C ILE B 34 6.710 1.938 0.485 1.00 0.00 C ATOM 430 O ILE B 34 6.697 3.128 0.779 1.00 0.00 O ATOM 431 CB ILE B 34 5.096 1.015 -1.257 1.00 0.00 C ATOM 432 CG1 ILE B 34 4.252 1.994 -2.041 1.00 0.00 C ATOM 433 CG2 ILE B 34 4.352 0.440 -0.065 1.00 0.00 C ATOM 434 CD1 ILE B 34 3.747 3.198 -1.305 1.00 0.00 C ATOM 0 H ILE B 34 7.255 -0.222 -1.696 1.00 0.00 H new ATOM 0 HA ILE B 34 6.513 2.500 -1.535 1.00 0.00 H new ATOM 0 HB ILE B 34 5.284 0.143 -1.884 1.00 0.00 H new ATOM 0 HG12 ILE B 34 4.837 2.339 -2.894 1.00 0.00 H new ATOM 0 HG13 ILE B 34 3.392 1.456 -2.441 1.00 0.00 H new ATOM 0 HG21 ILE B 34 3.376 0.075 -0.386 1.00 0.00 H new ATOM 0 HG22 ILE B 34 4.926 -0.384 0.359 1.00 0.00 H new ATOM 0 HG23 ILE B 34 4.219 1.215 0.689 1.00 0.00 H new ATOM 0 HD11 ILE B 34 3.157 3.817 -1.981 1.00 0.00 H new ATOM 0 HD12 ILE B 34 3.125 2.879 -0.469 1.00 0.00 H new ATOM 0 HD13 ILE B 34 4.592 3.775 -0.929 1.00 0.00 H new ATOM 446 N ALA B 35 7.085 1.026 1.381 1.00 0.00 N ATOM 447 CA ALA B 35 7.311 1.310 2.776 1.00 0.00 C ATOM 448 C ALA B 35 8.541 2.150 3.066 1.00 0.00 C ATOM 449 O ALA B 35 8.758 2.540 4.202 1.00 0.00 O ATOM 450 CB ALA B 35 7.163 0.039 3.595 1.00 0.00 C ATOM 0 H ALA B 35 7.241 0.047 1.139 1.00 0.00 H new ATOM 0 HA ALA B 35 6.526 1.988 3.111 1.00 0.00 H new ATOM 0 HB1 ALA B 35 7.335 0.262 4.648 1.00 0.00 H new ATOM 0 HB2 ALA B 35 6.157 -0.360 3.469 1.00 0.00 H new ATOM 0 HB3 ALA B 35 7.891 -0.699 3.257 1.00 0.00 H new ATOM 456 N ALA B 36 9.304 2.512 2.044 1.00 0.00 N ATOM 457 CA ALA B 36 10.329 3.527 2.033 1.00 0.00 C ATOM 458 C ALA B 36 9.854 4.828 1.421 1.00 0.00 C ATOM 459 O ALA B 36 10.115 5.893 1.952 1.00 0.00 O ATOM 460 CB ALA B 36 11.555 2.952 1.369 1.00 0.00 C ATOM 0 H ALA B 36 9.209 2.063 1.133 1.00 0.00 H new ATOM 0 HA ALA B 36 10.587 3.803 3.055 1.00 0.00 H new ATOM 0 HB1 ALA B 36 12.344 3.703 1.349 1.00 0.00 H new ATOM 0 HB2 ALA B 36 11.897 2.081 1.928 1.00 0.00 H new ATOM 0 HB3 ALA B 36 11.311 2.656 0.349 1.00 0.00 H new ATOM 466 N ILE B 37 9.096 4.752 0.333 1.00 0.00 N ATOM 467 CA ILE B 37 8.394 5.840 -0.309 1.00 0.00 C ATOM 468 C ILE B 37 7.326 6.439 0.588 1.00 0.00 C ATOM 469 O ILE B 37 7.073 7.631 0.514 1.00 0.00 O ATOM 470 CB ILE B 37 7.837 5.391 -1.647 1.00 0.00 C ATOM 471 CG1 ILE B 37 8.918 5.038 -2.650 1.00 0.00 C ATOM 472 CG2 ILE B 37 6.917 6.412 -2.289 1.00 0.00 C ATOM 473 CD1 ILE B 37 8.455 4.080 -3.722 1.00 0.00 C ATOM 0 H ILE B 37 8.951 3.866 -0.151 1.00 0.00 H new ATOM 0 HA ILE B 37 9.110 6.640 -0.497 1.00 0.00 H new ATOM 0 HB ILE B 37 7.263 4.498 -1.401 1.00 0.00 H new ATOM 0 HG12 ILE B 37 9.278 5.952 -3.122 1.00 0.00 H new ATOM 0 HG13 ILE B 37 9.764 4.598 -2.121 1.00 0.00 H new ATOM 0 HG21 ILE B 37 6.555 6.027 -3.242 1.00 0.00 H new ATOM 0 HG22 ILE B 37 6.070 6.604 -1.630 1.00 0.00 H new ATOM 0 HG23 ILE B 37 7.464 7.340 -2.457 1.00 0.00 H new ATOM 0 HD11 ILE B 37 9.279 3.872 -4.404 1.00 0.00 H new ATOM 0 HD12 ILE B 37 8.122 3.150 -3.260 1.00 0.00 H new ATOM 0 HD13 ILE B 37 7.629 4.526 -4.276 1.00 0.00 H new ATOM 485 N ILE B 38 6.784 5.670 1.522 1.00 0.00 N ATOM 486 CA ILE B 38 5.991 6.117 2.645 1.00 0.00 C ATOM 487 C ILE B 38 6.741 7.182 3.420 1.00 0.00 C ATOM 488 O ILE B 38 6.312 8.321 3.534 1.00 0.00 O ATOM 489 CB ILE B 38 5.595 4.960 3.543 1.00 0.00 C ATOM 490 CG1 ILE B 38 4.635 3.998 2.875 1.00 0.00 C ATOM 491 CG2 ILE B 38 4.924 5.455 4.817 1.00 0.00 C ATOM 492 CD1 ILE B 38 3.181 4.144 2.831 1.00 0.00 C ATOM 0 H ILE B 38 6.897 4.656 1.510 1.00 0.00 H new ATOM 0 HA ILE B 38 5.069 6.552 2.260 1.00 0.00 H new ATOM 0 HB ILE B 38 6.527 4.442 3.768 1.00 0.00 H new ATOM 0 HG12 ILE B 38 4.958 3.929 1.836 1.00 0.00 H new ATOM 0 HG13 ILE B 38 4.822 3.026 3.332 1.00 0.00 H new ATOM 0 HG21 ILE B 38 4.652 4.603 5.440 1.00 0.00 H new ATOM 0 HG22 ILE B 38 5.612 6.099 5.364 1.00 0.00 H new ATOM 0 HG23 ILE B 38 4.027 6.018 4.560 1.00 0.00 H new ATOM 0 HD11 ILE B 38 2.747 3.306 2.286 1.00 0.00 H new ATOM 0 HD12 ILE B 38 2.786 4.159 3.847 1.00 0.00 H new ATOM 0 HD13 ILE B 38 2.924 5.076 2.328 1.00 0.00 H new ATOM 504 N LYS B 39 7.866 6.771 3.989 1.00 0.00 N ATOM 505 CA LYS B 39 8.745 7.546 4.830 1.00 0.00 C ATOM 506 C LYS B 39 9.321 8.766 4.141 1.00 0.00 C ATOM 507 O LYS B 39 9.340 9.826 4.712 1.00 0.00 O ATOM 508 CB LYS B 39 9.845 6.652 5.371 1.00 0.00 C ATOM 509 CG LYS B 39 9.356 5.577 6.316 1.00 0.00 C ATOM 510 CD LYS B 39 10.428 4.673 6.807 1.00 0.00 C ATOM 511 CE LYS B 39 9.972 3.530 7.674 1.00 0.00 C ATOM 512 NZ LYS B 39 9.401 2.459 6.952 1.00 0.00 N ATOM 0 H LYS B 39 8.205 5.818 3.861 1.00 0.00 H new ATOM 0 HA LYS B 39 8.146 7.934 5.654 1.00 0.00 H new ATOM 0 HB2 LYS B 39 10.359 6.179 4.534 1.00 0.00 H new ATOM 0 HB3 LYS B 39 10.579 7.269 5.888 1.00 0.00 H new ATOM 0 HG2 LYS B 39 8.874 6.051 7.171 1.00 0.00 H new ATOM 0 HG3 LYS B 39 8.595 4.982 5.811 1.00 0.00 H new ATOM 0 HD2 LYS B 39 10.955 4.263 5.945 1.00 0.00 H new ATOM 0 HD3 LYS B 39 11.149 5.266 7.369 1.00 0.00 H new ATOM 0 HE2 LYS B 39 10.822 3.158 8.245 1.00 0.00 H new ATOM 0 HE3 LYS B 39 9.242 3.901 8.394 1.00 0.00 H new ATOM 0 HZ1 LYS B 39 8.487 2.202 7.377 1.00 0.00 H new ATOM 0 HZ2 LYS B 39 9.255 2.746 5.963 1.00 0.00 H new ATOM 0 HZ3 LYS B 39 10.040 1.639 6.984 1.00 0.00 H new ATOM 526 N ALA B 40 9.743 8.655 2.894 1.00 0.00 N ATOM 527 CA ALA B 40 10.360 9.704 2.117 1.00 0.00 C ATOM 528 C ALA B 40 9.354 10.628 1.463 1.00 0.00 C ATOM 529 O ALA B 40 9.601 11.813 1.344 1.00 0.00 O ATOM 530 CB ALA B 40 11.277 9.093 1.076 1.00 0.00 C ATOM 0 H ALA B 40 9.658 7.782 2.373 1.00 0.00 H new ATOM 0 HA ALA B 40 10.938 10.320 2.806 1.00 0.00 H new ATOM 0 HB1 ALA B 40 11.742 9.886 0.490 1.00 0.00 H new ATOM 0 HB2 ALA B 40 12.051 8.507 1.572 1.00 0.00 H new ATOM 0 HB3 ALA B 40 10.699 8.446 0.416 1.00 0.00 H new ATOM 536 N GLY B 41 8.188 10.113 1.084 1.00 0.00 N ATOM 537 CA GLY B 41 7.056 10.820 0.531 1.00 0.00 C ATOM 538 C GLY B 41 6.424 11.775 1.519 1.00 0.00 C ATOM 539 O GLY B 41 5.874 12.764 1.114 1.00 0.00 O ATOM 0 H GLY B 41 8.004 9.113 1.165 1.00 0.00 H new ATOM 0 HA2 GLY B 41 7.375 11.375 -0.351 1.00 0.00 H new ATOM 0 HA3 GLY B 41 6.309 10.099 0.200 1.00 0.00 H new ATOM 543 N GLY B 42 6.471 11.501 2.808 1.00 0.00 N ATOM 544 CA GLY B 42 5.851 12.276 3.842 1.00 0.00 C ATOM 545 C GLY B 42 4.349 12.109 3.859 1.00 0.00 C ATOM 546 O GLY B 42 3.622 13.066 3.849 1.00 0.00 O ATOM 0 H GLY B 42 6.970 10.689 3.171 1.00 0.00 H new ATOM 0 HA2 GLY B 42 6.259 11.981 4.809 1.00 0.00 H new ATOM 0 HA3 GLY B 42 6.096 13.329 3.701 1.00 0.00 H new ATOM 550 N TYR B 43 3.873 10.882 3.804 1.00 0.00 N ATOM 551 CA TYR B 43 2.520 10.497 3.691 1.00 0.00 C ATOM 552 C TYR B 43 1.593 11.048 4.683 1.00 0.00 C ATOM 553 O TYR B 43 0.531 11.342 4.360 1.00 0.00 O ATOM 554 CB TYR B 43 2.442 8.985 3.676 1.00 0.00 C ATOM 555 CG TYR B 43 2.235 8.364 2.324 1.00 0.00 C ATOM 556 CD1 TYR B 43 3.332 8.126 1.501 1.00 0.00 C ATOM 557 CD2 TYR B 43 0.954 8.004 1.915 1.00 0.00 C ATOM 558 CE1 TYR B 43 3.180 7.470 0.283 1.00 0.00 C ATOM 559 CE2 TYR B 43 0.775 7.383 0.681 1.00 0.00 C ATOM 560 CZ TYR B 43 1.886 7.115 -0.133 1.00 0.00 C ATOM 561 OH TYR B 43 1.718 6.627 -1.390 1.00 0.00 O ATOM 0 H TYR B 43 4.494 10.074 3.842 1.00 0.00 H new ATOM 0 HA TYR B 43 2.176 10.935 2.754 1.00 0.00 H new ATOM 0 HB2 TYR B 43 3.362 8.586 4.103 1.00 0.00 H new ATOM 0 HB3 TYR B 43 1.627 8.674 4.329 1.00 0.00 H new ATOM 0 HD1 TYR B 43 4.313 8.454 1.811 1.00 0.00 H new ATOM 0 HD2 TYR B 43 0.104 8.205 2.550 1.00 0.00 H new ATOM 0 HE1 TYR B 43 4.039 7.239 -0.330 1.00 0.00 H new ATOM 0 HE2 TYR B 43 -0.216 7.109 0.352 1.00 0.00 H new ATOM 0 HH TYR B 43 1.924 7.328 -2.043 1.00 0.00 H new HETATM 571 N NH2 B 44 1.977 11.261 5.873 1.00 0.00 N TER 574 NH2 B 44 HETATM 575 C ACE C 45 -7.875 11.093 -3.346 1.00 0.00 C HETATM 576 O ACE C 45 -8.078 10.202 -2.542 1.00 0.00 O HETATM 577 CH3 ACE C 45 -8.943 11.444 -4.337 1.00 0.00 C HETATM 0 H1 ACE C 45 -9.235 12.486 -4.204 1.00 0.00 H new HETATM 0 H2 ACE C 45 -8.563 11.300 -5.348 1.00 0.00 H new HETATM 0 H3 ACE C 45 -9.810 10.802 -4.181 1.00 0.00 H new ATOM 581 N ALA C 46 -6.741 11.779 -3.397 1.00 0.00 N ATOM 582 CA ALA C 46 -5.551 11.543 -2.623 1.00 0.00 C ATOM 583 C ALA C 46 -5.754 11.519 -1.126 1.00 0.00 C ATOM 584 O ALA C 46 -5.032 10.814 -0.451 1.00 0.00 O ATOM 585 CB ALA C 46 -4.536 12.582 -3.003 1.00 0.00 C ATOM 0 H ALA C 46 -6.631 12.571 -4.030 1.00 0.00 H new ATOM 0 HA ALA C 46 -5.209 10.536 -2.863 1.00 0.00 H new ATOM 0 HB1 ALA C 46 -3.623 12.425 -2.429 1.00 0.00 H new ATOM 0 HB2 ALA C 46 -4.314 12.502 -4.067 1.00 0.00 H new ATOM 0 HB3 ALA C 46 -4.933 13.574 -2.789 1.00 0.00 H new ATOM 591 N LYS C 47 -6.745 12.219 -0.592 1.00 0.00 N ATOM 592 CA LYS C 47 -7.135 12.209 0.798 1.00 0.00 C ATOM 593 C LYS C 47 -7.548 10.853 1.335 1.00 0.00 C ATOM 594 O LYS C 47 -7.567 10.698 2.544 1.00 0.00 O ATOM 595 CB LYS C 47 -8.260 13.181 1.064 1.00 0.00 C ATOM 596 CG LYS C 47 -7.875 14.621 0.883 1.00 0.00 C ATOM 597 CD LYS C 47 -8.982 15.574 1.253 1.00 0.00 C ATOM 598 CE LYS C 47 -8.891 16.768 0.851 1.00 0.00 C ATOM 599 NZ LYS C 47 -9.843 17.728 1.221 1.00 0.00 N ATOM 0 H LYS C 47 -7.326 12.841 -1.154 1.00 0.00 H new ATOM 0 HA LYS C 47 -6.227 12.506 1.323 1.00 0.00 H new ATOM 0 HB2 LYS C 47 -9.091 12.951 0.398 1.00 0.00 H new ATOM 0 HB3 LYS C 47 -8.619 13.036 2.083 1.00 0.00 H new ATOM 0 HG2 LYS C 47 -6.998 14.837 1.493 1.00 0.00 H new ATOM 0 HG3 LYS C 47 -7.590 14.788 -0.156 1.00 0.00 H new ATOM 0 HD2 LYS C 47 -9.918 15.163 0.874 1.00 0.00 H new ATOM 0 HD3 LYS C 47 -9.059 15.592 2.340 1.00 0.00 H new ATOM 0 HE2 LYS C 47 -7.919 17.141 1.174 1.00 0.00 H new ATOM 0 HE3 LYS C 47 -8.874 16.738 -0.238 1.00 0.00 H new ATOM 0 HZ1 LYS C 47 -9.597 18.644 0.794 1.00 0.00 H new ATOM 0 HZ2 LYS C 47 -10.783 17.432 0.888 1.00 0.00 H new ATOM 0 HZ3 LYS C 47 -9.857 17.822 2.257 1.00 0.00 H new ATOM 613 N ALA C 48 -7.769 9.856 0.485 1.00 0.00 N ATOM 614 CA ALA C 48 -7.814 8.454 0.825 1.00 0.00 C ATOM 615 C ALA C 48 -6.597 7.931 1.562 1.00 0.00 C ATOM 616 O ALA C 48 -6.577 6.805 2.038 1.00 0.00 O ATOM 617 CB ALA C 48 -7.975 7.709 -0.482 1.00 0.00 C ATOM 0 H ALA C 48 -7.929 10.021 -0.509 1.00 0.00 H new ATOM 0 HA ALA C 48 -8.639 8.302 1.521 1.00 0.00 H new ATOM 0 HB1 ALA C 48 -8.015 6.637 -0.287 1.00 0.00 H new ATOM 0 HB2 ALA C 48 -8.898 8.024 -0.969 1.00 0.00 H new ATOM 0 HB3 ALA C 48 -7.128 7.928 -1.132 1.00 0.00 H new ATOM 623 N ALA C 49 -5.534 8.724 1.670 1.00 0.00 N ATOM 624 CA ALA C 49 -4.228 8.436 2.207 1.00 0.00 C ATOM 625 C ALA C 49 -4.289 7.902 3.624 1.00 0.00 C ATOM 626 O ALA C 49 -4.377 6.695 3.810 1.00 0.00 O ATOM 627 CB ALA C 49 -3.338 9.637 1.949 1.00 0.00 C ATOM 0 H ALA C 49 -5.584 9.689 1.344 1.00 0.00 H new ATOM 0 HA ALA C 49 -3.757 7.598 1.693 1.00 0.00 H new ATOM 0 HB1 ALA C 49 -2.342 9.444 2.347 1.00 0.00 H new ATOM 0 HB2 ALA C 49 -3.272 9.817 0.876 1.00 0.00 H new ATOM 0 HB3 ALA C 49 -3.760 10.515 2.439 1.00 0.00 H new ATOM 633 N ALA C 50 -4.299 8.758 4.644 1.00 0.00 N ATOM 634 CA ALA C 50 -4.198 8.263 5.997 1.00 0.00 C ATOM 635 C ALA C 50 -5.310 7.310 6.397 1.00 0.00 C ATOM 636 O ALA C 50 -5.112 6.368 7.148 1.00 0.00 O ATOM 637 CB ALA C 50 -4.086 9.444 6.945 1.00 0.00 C ATOM 0 H ALA C 50 -4.374 9.771 4.555 1.00 0.00 H new ATOM 0 HA ALA C 50 -3.296 7.653 6.058 1.00 0.00 H new ATOM 0 HB1 ALA C 50 -4.009 9.082 7.970 1.00 0.00 H new ATOM 0 HB2 ALA C 50 -3.198 10.026 6.698 1.00 0.00 H new ATOM 0 HB3 ALA C 50 -4.971 10.074 6.848 1.00 0.00 H new ATOM 643 N ALA C 51 -6.486 7.488 5.818 1.00 0.00 N ATOM 644 CA ALA C 51 -7.621 6.611 5.986 1.00 0.00 C ATOM 645 C ALA C 51 -7.411 5.189 5.523 1.00 0.00 C ATOM 646 O ALA C 51 -8.175 4.342 5.861 1.00 0.00 O ATOM 647 CB ALA C 51 -8.824 7.248 5.326 1.00 0.00 C ATOM 0 H ALA C 51 -6.678 8.275 5.198 1.00 0.00 H new ATOM 0 HA ALA C 51 -7.783 6.503 7.058 1.00 0.00 H new ATOM 0 HB1 ALA C 51 -9.691 6.598 5.444 1.00 0.00 H new ATOM 0 HB2 ALA C 51 -9.027 8.212 5.793 1.00 0.00 H new ATOM 0 HB3 ALA C 51 -8.622 7.394 4.265 1.00 0.00 H new ATOM 653 N ALA C 52 -6.374 4.876 4.781 1.00 0.00 N ATOM 654 CA ALA C 52 -5.794 3.564 4.640 1.00 0.00 C ATOM 655 C ALA C 52 -4.445 3.501 5.329 1.00 0.00 C ATOM 656 O ALA C 52 -4.207 2.714 6.226 1.00 0.00 O ATOM 657 CB ALA C 52 -5.665 3.216 3.175 1.00 0.00 C ATOM 0 H ALA C 52 -5.883 5.577 4.225 1.00 0.00 H new ATOM 0 HA ALA C 52 -6.449 2.834 5.117 1.00 0.00 H new ATOM 0 HB1 ALA C 52 -5.226 2.223 3.074 1.00 0.00 H new ATOM 0 HB2 ALA C 52 -6.651 3.226 2.711 1.00 0.00 H new ATOM 0 HB3 ALA C 52 -5.025 3.948 2.682 1.00 0.00 H new ATOM 663 N ILE C 53 -3.513 4.331 4.866 1.00 0.00 N ATOM 664 CA ILE C 53 -2.090 4.263 5.103 1.00 0.00 C ATOM 665 C ILE C 53 -1.697 4.375 6.565 1.00 0.00 C ATOM 666 O ILE C 53 -0.683 3.812 6.957 1.00 0.00 O ATOM 667 CB ILE C 53 -1.343 5.311 4.295 1.00 0.00 C ATOM 668 CG1 ILE C 53 -1.647 5.304 2.808 1.00 0.00 C ATOM 669 CG2 ILE C 53 0.157 5.252 4.461 1.00 0.00 C ATOM 670 CD1 ILE C 53 -1.473 3.989 2.113 1.00 0.00 C ATOM 0 H ILE C 53 -3.761 5.123 4.273 1.00 0.00 H new ATOM 0 HA ILE C 53 -1.801 3.265 4.774 1.00 0.00 H new ATOM 0 HB ILE C 53 -1.724 6.238 4.723 1.00 0.00 H new ATOM 0 HG12 ILE C 53 -2.675 5.636 2.665 1.00 0.00 H new ATOM 0 HG13 ILE C 53 -1.005 6.038 2.322 1.00 0.00 H new ATOM 0 HG21 ILE C 53 0.621 6.030 3.854 1.00 0.00 H new ATOM 0 HG22 ILE C 53 0.414 5.408 5.509 1.00 0.00 H new ATOM 0 HG23 ILE C 53 0.521 4.276 4.140 1.00 0.00 H new ATOM 0 HD11 ILE C 53 -1.717 4.101 1.057 1.00 0.00 H new ATOM 0 HD12 ILE C 53 -0.439 3.658 2.214 1.00 0.00 H new ATOM 0 HD13 ILE C 53 -2.136 3.249 2.562 1.00 0.00 H new ATOM 682 N LYS C 54 -2.498 5.049 7.388 1.00 0.00 N ATOM 683 CA LYS C 54 -2.189 5.230 8.788 1.00 0.00 C ATOM 684 C LYS C 54 -2.413 3.952 9.573 1.00 0.00 C ATOM 685 O LYS C 54 -1.532 3.572 10.316 1.00 0.00 O ATOM 686 CB LYS C 54 -3.033 6.380 9.309 1.00 0.00 C ATOM 687 CG LYS C 54 -2.384 7.209 10.390 1.00 0.00 C ATOM 688 CD LYS C 54 -2.326 6.669 11.764 1.00 0.00 C ATOM 689 CE LYS C 54 -3.631 6.483 12.347 1.00 0.00 C ATOM 690 NZ LYS C 54 -3.533 6.156 13.672 1.00 0.00 N ATOM 0 H LYS C 54 -3.375 5.480 7.096 1.00 0.00 H new ATOM 0 HA LYS C 54 -1.134 5.472 8.912 1.00 0.00 H new ATOM 0 HB2 LYS C 54 -3.286 7.033 8.474 1.00 0.00 H new ATOM 0 HB3 LYS C 54 -3.970 5.978 9.694 1.00 0.00 H new ATOM 0 HG2 LYS C 54 -1.362 7.420 10.075 1.00 0.00 H new ATOM 0 HG3 LYS C 54 -2.908 8.164 10.433 1.00 0.00 H new ATOM 0 HD2 LYS C 54 -1.799 5.715 11.752 1.00 0.00 H new ATOM 0 HD3 LYS C 54 -1.746 7.346 12.391 1.00 0.00 H new ATOM 0 HE2 LYS C 54 -4.216 7.396 12.236 1.00 0.00 H new ATOM 0 HE3 LYS C 54 -4.163 5.696 11.813 1.00 0.00 H new ATOM 0 HZ1 LYS C 54 -4.486 6.027 14.069 1.00 0.00 H new ATOM 0 HZ2 LYS C 54 -2.994 5.272 13.773 1.00 0.00 H new ATOM 0 HZ3 LYS C 54 -3.045 6.919 14.183 1.00 0.00 H new ATOM 704 N ALA C 55 -3.485 3.213 9.300 1.00 0.00 N ATOM 705 CA ALA C 55 -3.631 1.831 9.692 1.00 0.00 C ATOM 706 C ALA C 55 -2.574 0.946 9.057 1.00 0.00 C ATOM 707 O ALA C 55 -1.981 0.135 9.755 1.00 0.00 O ATOM 708 CB ALA C 55 -5.032 1.332 9.391 1.00 0.00 C ATOM 0 H ALA C 55 -4.290 3.575 8.788 1.00 0.00 H new ATOM 0 HA ALA C 55 -3.478 1.776 10.770 1.00 0.00 H new ATOM 0 HB1 ALA C 55 -5.120 0.289 9.694 1.00 0.00 H new ATOM 0 HB2 ALA C 55 -5.758 1.932 9.940 1.00 0.00 H new ATOM 0 HB3 ALA C 55 -5.226 1.417 8.322 1.00 0.00 H new ATOM 714 N ILE C 56 -2.300 1.092 7.763 1.00 0.00 N ATOM 715 CA ILE C 56 -1.570 0.110 6.998 1.00 0.00 C ATOM 716 C ILE C 56 -0.085 0.214 7.286 1.00 0.00 C ATOM 717 O ILE C 56 0.528 -0.825 7.499 1.00 0.00 O ATOM 718 CB ILE C 56 -1.893 0.218 5.522 1.00 0.00 C ATOM 719 CG1 ILE C 56 -3.293 -0.257 5.213 1.00 0.00 C ATOM 720 CG2 ILE C 56 -0.907 -0.476 4.618 1.00 0.00 C ATOM 721 CD1 ILE C 56 -3.553 -1.734 5.285 1.00 0.00 C ATOM 0 H ILE C 56 -2.585 1.907 7.220 1.00 0.00 H new ATOM 0 HA ILE C 56 -1.886 -0.886 7.307 1.00 0.00 H new ATOM 0 HB ILE C 56 -1.818 1.284 5.308 1.00 0.00 H new ATOM 0 HG12 ILE C 56 -3.977 0.239 5.902 1.00 0.00 H new ATOM 0 HG13 ILE C 56 -3.550 0.082 4.209 1.00 0.00 H new ATOM 0 HG21 ILE C 56 -1.214 -0.349 3.580 1.00 0.00 H new ATOM 0 HG22 ILE C 56 0.083 -0.043 4.759 1.00 0.00 H new ATOM 0 HG23 ILE C 56 -0.877 -1.538 4.860 1.00 0.00 H new ATOM 0 HD11 ILE C 56 -4.597 -1.932 5.040 1.00 0.00 H new ATOM 0 HD12 ILE C 56 -2.909 -2.252 4.574 1.00 0.00 H new ATOM 0 HD13 ILE C 56 -3.343 -2.092 6.293 1.00 0.00 H new ATOM 733 N ALA C 57 0.498 1.396 7.481 1.00 0.00 N ATOM 734 CA ALA C 57 1.900 1.443 7.826 1.00 0.00 C ATOM 735 C ALA C 57 2.205 0.795 9.165 1.00 0.00 C ATOM 736 O ALA C 57 3.285 0.300 9.395 1.00 0.00 O ATOM 737 CB ALA C 57 2.323 2.896 7.789 1.00 0.00 C ATOM 0 H ALA C 57 0.032 2.301 7.407 1.00 0.00 H new ATOM 0 HA ALA C 57 2.472 0.859 7.105 1.00 0.00 H new ATOM 0 HB1 ALA C 57 3.380 2.974 8.045 1.00 0.00 H new ATOM 0 HB2 ALA C 57 2.161 3.297 6.788 1.00 0.00 H new ATOM 0 HB3 ALA C 57 1.733 3.465 8.507 1.00 0.00 H new ATOM 743 N ALA C 58 1.215 0.680 10.044 1.00 0.00 N ATOM 744 CA ALA C 58 1.281 0.014 11.325 1.00 0.00 C ATOM 745 C ALA C 58 1.044 -1.482 11.218 1.00 0.00 C ATOM 746 O ALA C 58 1.770 -2.276 11.792 1.00 0.00 O ATOM 747 CB ALA C 58 0.324 0.711 12.278 1.00 0.00 C ATOM 0 H ALA C 58 0.292 1.076 9.863 1.00 0.00 H new ATOM 0 HA ALA C 58 2.291 0.094 11.726 1.00 0.00 H new ATOM 0 HB1 ALA C 58 0.360 0.222 13.252 1.00 0.00 H new ATOM 0 HB2 ALA C 58 0.615 1.756 12.386 1.00 0.00 H new ATOM 0 HB3 ALA C 58 -0.690 0.656 11.881 1.00 0.00 H new ATOM 753 N ILE C 59 0.089 -1.850 10.368 1.00 0.00 N ATOM 754 CA ILE C 59 -0.200 -3.210 9.975 1.00 0.00 C ATOM 755 C ILE C 59 0.962 -3.847 9.236 1.00 0.00 C ATOM 756 O ILE C 59 1.192 -5.034 9.421 1.00 0.00 O ATOM 757 CB ILE C 59 -1.496 -3.262 9.181 1.00 0.00 C ATOM 758 CG1 ILE C 59 -2.703 -3.021 10.069 1.00 0.00 C ATOM 759 CG2 ILE C 59 -1.668 -4.521 8.353 1.00 0.00 C ATOM 760 CD1 ILE C 59 -3.926 -2.549 9.303 1.00 0.00 C ATOM 0 H ILE C 59 -0.527 -1.172 9.919 1.00 0.00 H new ATOM 0 HA ILE C 59 -0.339 -3.806 10.877 1.00 0.00 H new ATOM 0 HB ILE C 59 -1.424 -2.446 8.462 1.00 0.00 H new ATOM 0 HG12 ILE C 59 -2.947 -3.943 10.597 1.00 0.00 H new ATOM 0 HG13 ILE C 59 -2.447 -2.279 10.825 1.00 0.00 H new ATOM 0 HG21 ILE C 59 -2.617 -4.478 7.818 1.00 0.00 H new ATOM 0 HG22 ILE C 59 -0.851 -4.599 7.636 1.00 0.00 H new ATOM 0 HG23 ILE C 59 -1.660 -5.392 9.009 1.00 0.00 H new ATOM 0 HD11 ILE C 59 -4.753 -2.396 9.996 1.00 0.00 H new ATOM 0 HD12 ILE C 59 -3.698 -1.611 8.796 1.00 0.00 H new ATOM 0 HD13 ILE C 59 -4.206 -3.301 8.565 1.00 0.00 H new ATOM 772 N ILE C 60 1.740 -3.077 8.481 1.00 0.00 N ATOM 773 CA ILE C 60 2.936 -3.520 7.804 1.00 0.00 C ATOM 774 C ILE C 60 4.009 -3.927 8.796 1.00 0.00 C ATOM 775 O ILE C 60 4.546 -5.022 8.737 1.00 0.00 O ATOM 776 CB ILE C 60 3.413 -2.427 6.857 1.00 0.00 C ATOM 777 CG1 ILE C 60 2.502 -2.506 5.642 1.00 0.00 C ATOM 778 CG2 ILE C 60 4.857 -2.552 6.406 1.00 0.00 C ATOM 779 CD1 ILE C 60 2.878 -1.646 4.448 1.00 0.00 C ATOM 0 H ILE C 60 1.539 -2.090 8.323 1.00 0.00 H new ATOM 0 HA ILE C 60 2.710 -4.409 7.215 1.00 0.00 H new ATOM 0 HB ILE C 60 3.369 -1.475 7.387 1.00 0.00 H new ATOM 0 HG12 ILE C 60 2.463 -3.545 5.314 1.00 0.00 H new ATOM 0 HG13 ILE C 60 1.494 -2.232 5.954 1.00 0.00 H new ATOM 0 HG21 ILE C 60 5.101 -1.728 5.735 1.00 0.00 H new ATOM 0 HG22 ILE C 60 5.514 -2.519 7.275 1.00 0.00 H new ATOM 0 HG23 ILE C 60 4.994 -3.499 5.883 1.00 0.00 H new ATOM 0 HD11 ILE C 60 2.150 -1.793 3.650 1.00 0.00 H new ATOM 0 HD12 ILE C 60 2.885 -0.597 4.743 1.00 0.00 H new ATOM 0 HD13 ILE C 60 3.869 -1.930 4.093 1.00 0.00 H new ATOM 791 N LYS C 61 4.287 -3.044 9.751 1.00 0.00 N ATOM 792 CA LYS C 61 5.185 -3.257 10.855 1.00 0.00 C ATOM 793 C LYS C 61 4.814 -4.478 11.669 1.00 0.00 C ATOM 794 O LYS C 61 5.655 -5.271 12.003 1.00 0.00 O ATOM 795 CB LYS C 61 5.234 -1.999 11.689 1.00 0.00 C ATOM 796 CG LYS C 61 6.141 -1.122 11.446 1.00 0.00 C ATOM 797 CD LYS C 61 6.088 0.181 12.115 1.00 0.00 C ATOM 798 CE LYS C 61 6.269 0.253 13.498 1.00 0.00 C ATOM 799 NZ LYS C 61 6.396 1.521 14.049 1.00 0.00 N ATOM 0 H LYS C 61 3.864 -2.116 9.766 1.00 0.00 H new ATOM 0 HA LYS C 61 6.183 -3.465 10.470 1.00 0.00 H new ATOM 0 HB2 LYS C 61 4.267 -1.505 11.596 1.00 0.00 H new ATOM 0 HB3 LYS C 61 5.339 -2.300 12.731 1.00 0.00 H new ATOM 0 HG2 LYS C 61 7.103 -1.573 11.687 1.00 0.00 H new ATOM 0 HG3 LYS C 61 6.136 -0.937 10.372 1.00 0.00 H new ATOM 0 HD2 LYS C 61 6.844 0.816 11.653 1.00 0.00 H new ATOM 0 HD3 LYS C 61 5.118 0.625 11.889 1.00 0.00 H new ATOM 0 HE2 LYS C 61 5.424 -0.242 13.977 1.00 0.00 H new ATOM 0 HE3 LYS C 61 7.161 -0.319 13.754 1.00 0.00 H new ATOM 0 HZ1 LYS C 61 6.525 1.441 15.078 1.00 0.00 H new ATOM 0 HZ2 LYS C 61 7.220 1.999 13.633 1.00 0.00 H new ATOM 0 HZ3 LYS C 61 5.538 2.074 13.849 1.00 0.00 H new ATOM 813 N ALA C 62 3.528 -4.688 11.904 1.00 0.00 N ATOM 814 CA ALA C 62 2.996 -5.855 12.571 1.00 0.00 C ATOM 815 C ALA C 62 3.038 -7.095 11.703 1.00 0.00 C ATOM 816 O ALA C 62 3.131 -8.197 12.195 1.00 0.00 O ATOM 817 CB ALA C 62 1.591 -5.535 13.049 1.00 0.00 C ATOM 0 H ALA C 62 2.805 -4.025 11.624 1.00 0.00 H new ATOM 0 HA ALA C 62 3.627 -6.092 13.428 1.00 0.00 H new ATOM 0 HB1 ALA C 62 1.172 -6.405 13.556 1.00 0.00 H new ATOM 0 HB2 ALA C 62 1.625 -4.693 13.741 1.00 0.00 H new ATOM 0 HB3 ALA C 62 0.966 -5.277 12.194 1.00 0.00 H new ATOM 823 N GLY C 63 2.932 -6.930 10.391 1.00 0.00 N ATOM 824 CA GLY C 63 2.853 -7.925 9.359 1.00 0.00 C ATOM 825 C GLY C 63 4.115 -8.645 9.032 1.00 0.00 C ATOM 826 O GLY C 63 4.033 -9.684 8.501 1.00 0.00 O ATOM 0 H GLY C 63 2.896 -5.991 9.994 1.00 0.00 H new ATOM 0 HA2 GLY C 63 2.106 -8.662 9.653 1.00 0.00 H new ATOM 0 HA3 GLY C 63 2.488 -7.446 8.450 1.00 0.00 H new ATOM 830 N GLY C 64 5.282 -8.114 9.255 1.00 0.00 N ATOM 831 CA GLY C 64 6.544 -8.732 8.929 1.00 0.00 C ATOM 832 C GLY C 64 6.959 -8.682 7.468 1.00 0.00 C ATOM 833 O GLY C 64 7.749 -9.502 7.032 1.00 0.00 O ATOM 0 H GLY C 64 5.390 -7.197 9.688 1.00 0.00 H new ATOM 0 HA2 GLY C 64 7.323 -8.254 9.523 1.00 0.00 H new ATOM 0 HA3 GLY C 64 6.504 -9.777 9.238 1.00 0.00 H new ATOM 837 N TYR C 65 6.421 -7.731 6.721 1.00 0.00 N ATOM 838 CA TYR C 65 6.697 -7.422 5.342 1.00 0.00 C ATOM 839 C TYR C 65 8.148 -7.198 5.002 1.00 0.00 C ATOM 840 O TYR C 65 8.548 -7.481 3.905 1.00 0.00 O ATOM 841 CB TYR C 65 5.817 -6.233 4.994 1.00 0.00 C ATOM 842 CG TYR C 65 4.477 -6.549 4.382 1.00 0.00 C ATOM 843 CD1 TYR C 65 4.325 -7.143 3.134 1.00 0.00 C ATOM 844 CD2 TYR C 65 3.360 -6.066 5.064 1.00 0.00 C ATOM 845 CE1 TYR C 65 3.054 -7.255 2.589 1.00 0.00 C ATOM 846 CE2 TYR C 65 2.095 -6.115 4.480 1.00 0.00 C ATOM 847 CZ TYR C 65 1.931 -6.727 3.244 1.00 0.00 C ATOM 848 OH TYR C 65 0.694 -6.872 2.711 1.00 0.00 O ATOM 0 H TYR C 65 5.717 -7.103 7.108 1.00 0.00 H new ATOM 0 HA TYR C 65 6.463 -8.293 4.730 1.00 0.00 H new ATOM 0 HB2 TYR C 65 5.650 -5.654 5.902 1.00 0.00 H new ATOM 0 HB3 TYR C 65 6.366 -5.592 4.304 1.00 0.00 H new ATOM 0 HD1 TYR C 65 5.185 -7.512 2.596 1.00 0.00 H new ATOM 0 HD2 TYR C 65 3.476 -5.650 6.054 1.00 0.00 H new ATOM 0 HE1 TYR C 65 2.926 -7.758 1.642 1.00 0.00 H new ATOM 0 HE2 TYR C 65 1.246 -5.679 4.986 1.00 0.00 H new ATOM 0 HH TYR C 65 0.161 -7.466 3.279 1.00 0.00 H new HETATM 858 N NH2 C 66 8.978 -6.684 5.879 1.00 0.00 N TER 861 NH2 C 66 HETATM 862 C ACE D 67 7.152 -13.012 5.337 1.00 0.00 C HETATM 863 O ACE D 67 6.803 -13.951 4.673 1.00 0.00 O HETATM 864 CH3 ACE D 67 8.103 -13.220 6.466 1.00 0.00 C HETATM 0 H1 ACE D 67 9.005 -12.632 6.295 1.00 0.00 H new HETATM 0 H2 ACE D 67 7.635 -12.904 7.399 1.00 0.00 H new HETATM 0 H3 ACE D 67 8.365 -14.276 6.531 1.00 0.00 H new ATOM 868 N ALA D 68 6.725 -11.783 5.151 1.00 0.00 N ATOM 869 CA ALA D 68 5.750 -11.294 4.221 1.00 0.00 C ATOM 870 C ALA D 68 4.464 -12.078 4.142 1.00 0.00 C ATOM 871 O ALA D 68 3.804 -12.115 3.141 1.00 0.00 O ATOM 872 CB ALA D 68 6.405 -11.127 2.877 1.00 0.00 C ATOM 0 H ALA D 68 7.100 -11.021 5.716 1.00 0.00 H new ATOM 0 HA ALA D 68 5.412 -10.330 4.603 1.00 0.00 H new ATOM 0 HB1 ALA D 68 5.674 -10.755 2.159 1.00 0.00 H new ATOM 0 HB2 ALA D 68 7.227 -10.416 2.959 1.00 0.00 H new ATOM 0 HB3 ALA D 68 6.790 -12.089 2.538 1.00 0.00 H new ATOM 878 N LYS D 69 4.039 -12.728 5.206 1.00 0.00 N ATOM 879 CA LYS D 69 2.777 -13.412 5.314 1.00 0.00 C ATOM 880 C LYS D 69 1.607 -12.466 5.296 1.00 0.00 C ATOM 881 O LYS D 69 0.533 -12.847 4.887 1.00 0.00 O ATOM 882 CB LYS D 69 2.711 -14.225 6.581 1.00 0.00 C ATOM 883 CG LYS D 69 3.707 -15.335 6.757 1.00 0.00 C ATOM 884 CD LYS D 69 3.714 -16.407 5.731 1.00 0.00 C ATOM 885 CE LYS D 69 2.457 -17.202 5.715 1.00 0.00 C ATOM 886 NZ LYS D 69 2.513 -18.284 4.798 1.00 0.00 N ATOM 0 H LYS D 69 4.596 -12.794 6.058 1.00 0.00 H new ATOM 0 HA LYS D 69 2.713 -14.064 4.443 1.00 0.00 H new ATOM 0 HB2 LYS D 69 2.820 -13.541 7.423 1.00 0.00 H new ATOM 0 HB3 LYS D 69 1.713 -14.658 6.649 1.00 0.00 H new ATOM 0 HG2 LYS D 69 4.703 -14.893 6.791 1.00 0.00 H new ATOM 0 HG3 LYS D 69 3.530 -15.797 7.728 1.00 0.00 H new ATOM 0 HD2 LYS D 69 3.868 -15.961 4.748 1.00 0.00 H new ATOM 0 HD3 LYS D 69 4.557 -17.073 5.915 1.00 0.00 H new ATOM 0 HE2 LYS D 69 2.261 -17.587 6.716 1.00 0.00 H new ATOM 0 HE3 LYS D 69 1.622 -16.551 5.455 1.00 0.00 H new ATOM 0 HZ1 LYS D 69 1.615 -18.807 4.823 1.00 0.00 H new ATOM 0 HZ2 LYS D 69 2.673 -17.918 3.838 1.00 0.00 H new ATOM 0 HZ3 LYS D 69 3.292 -18.921 5.060 1.00 0.00 H new ATOM 900 N ALA D 70 1.828 -11.214 5.670 1.00 0.00 N ATOM 901 CA ALA D 70 0.902 -10.110 5.649 1.00 0.00 C ATOM 902 C ALA D 70 0.258 -9.748 4.325 1.00 0.00 C ATOM 903 O ALA D 70 -0.550 -8.842 4.212 1.00 0.00 O ATOM 904 CB ALA D 70 1.617 -8.897 6.212 1.00 0.00 C ATOM 0 H ALA D 70 2.741 -10.929 6.025 1.00 0.00 H new ATOM 0 HA ALA D 70 0.055 -10.445 6.248 1.00 0.00 H new ATOM 0 HB1 ALA D 70 0.941 -8.042 6.209 1.00 0.00 H new ATOM 0 HB2 ALA D 70 1.936 -9.104 7.233 1.00 0.00 H new ATOM 0 HB3 ALA D 70 2.489 -8.671 5.598 1.00 0.00 H new ATOM 910 N ALA D 71 0.676 -10.446 3.279 1.00 0.00 N ATOM 911 CA ALA D 71 0.483 -10.096 1.890 1.00 0.00 C ATOM 912 C ALA D 71 -0.830 -10.500 1.256 1.00 0.00 C ATOM 913 O ALA D 71 -0.999 -10.329 0.058 1.00 0.00 O ATOM 914 CB ALA D 71 1.677 -10.657 1.137 1.00 0.00 C ATOM 0 H ALA D 71 1.188 -11.321 3.390 1.00 0.00 H new ATOM 0 HA ALA D 71 0.419 -9.009 1.833 1.00 0.00 H new ATOM 0 HB1 ALA D 71 1.583 -10.421 0.077 1.00 0.00 H new ATOM 0 HB2 ALA D 71 2.594 -10.215 1.527 1.00 0.00 H new ATOM 0 HB3 ALA D 71 1.713 -11.739 1.266 1.00 0.00 H new ATOM 920 N ALA D 72 -1.790 -10.961 2.048 1.00 0.00 N ATOM 921 CA ALA D 72 -3.173 -10.946 1.666 1.00 0.00 C ATOM 922 C ALA D 72 -3.966 -9.997 2.526 1.00 0.00 C ATOM 923 O ALA D 72 -4.593 -9.097 2.013 1.00 0.00 O ATOM 924 CB ALA D 72 -3.695 -12.358 1.654 1.00 0.00 C ATOM 0 H ALA D 72 -1.618 -11.354 2.973 1.00 0.00 H new ATOM 0 HA ALA D 72 -3.284 -10.557 0.654 1.00 0.00 H new ATOM 0 HB1 ALA D 72 -4.746 -12.355 1.365 1.00 0.00 H new ATOM 0 HB2 ALA D 72 -3.124 -12.951 0.940 1.00 0.00 H new ATOM 0 HB3 ALA D 72 -3.594 -12.792 2.649 1.00 0.00 H new ATOM 930 N ALA D 73 -3.871 -10.114 3.844 1.00 0.00 N ATOM 931 CA ALA D 73 -4.696 -9.425 4.803 1.00 0.00 C ATOM 932 C ALA D 73 -4.586 -7.916 4.766 1.00 0.00 C ATOM 933 O ALA D 73 -5.581 -7.235 4.919 1.00 0.00 O ATOM 934 CB ALA D 73 -4.344 -9.956 6.173 1.00 0.00 C ATOM 0 H ALA D 73 -3.181 -10.723 4.285 1.00 0.00 H new ATOM 0 HA ALA D 73 -5.737 -9.623 4.546 1.00 0.00 H new ATOM 0 HB1 ALA D 73 -4.952 -9.454 6.925 1.00 0.00 H new ATOM 0 HB2 ALA D 73 -4.536 -11.028 6.208 1.00 0.00 H new ATOM 0 HB3 ALA D 73 -3.289 -9.769 6.376 1.00 0.00 H new ATOM 940 N ALA D 74 -3.399 -7.373 4.591 1.00 0.00 N ATOM 941 CA ALA D 74 -3.210 -5.945 4.482 1.00 0.00 C ATOM 942 C ALA D 74 -3.653 -5.450 3.123 1.00 0.00 C ATOM 943 O ALA D 74 -4.299 -4.427 2.995 1.00 0.00 O ATOM 944 CB ALA D 74 -1.769 -5.570 4.747 1.00 0.00 C ATOM 0 H ALA D 74 -2.537 -7.913 4.520 1.00 0.00 H new ATOM 0 HA ALA D 74 -3.828 -5.462 5.239 1.00 0.00 H new ATOM 0 HB1 ALA D 74 -1.652 -4.490 4.659 1.00 0.00 H new ATOM 0 HB2 ALA D 74 -1.490 -5.884 5.753 1.00 0.00 H new ATOM 0 HB3 ALA D 74 -1.125 -6.065 4.020 1.00 0.00 H new ATOM 950 N ILE D 75 -3.330 -6.203 2.081 1.00 0.00 N ATOM 951 CA ILE D 75 -3.659 -5.899 0.709 1.00 0.00 C ATOM 952 C ILE D 75 -5.158 -5.909 0.468 1.00 0.00 C ATOM 953 O ILE D 75 -5.697 -5.064 -0.230 1.00 0.00 O ATOM 954 CB ILE D 75 -3.000 -6.907 -0.219 1.00 0.00 C ATOM 955 CG1 ILE D 75 -1.504 -7.052 0.008 1.00 0.00 C ATOM 956 CG2 ILE D 75 -3.323 -6.589 -1.665 1.00 0.00 C ATOM 957 CD1 ILE D 75 -0.704 -5.780 -0.177 1.00 0.00 C ATOM 0 H ILE D 75 -2.811 -7.076 2.180 1.00 0.00 H new ATOM 0 HA ILE D 75 -3.287 -4.895 0.502 1.00 0.00 H new ATOM 0 HB ILE D 75 -3.423 -7.881 0.025 1.00 0.00 H new ATOM 0 HG12 ILE D 75 -1.339 -7.423 1.019 1.00 0.00 H new ATOM 0 HG13 ILE D 75 -1.119 -7.808 -0.676 1.00 0.00 H new ATOM 0 HG21 ILE D 75 -2.843 -7.321 -2.315 1.00 0.00 H new ATOM 0 HG22 ILE D 75 -4.402 -6.625 -1.813 1.00 0.00 H new ATOM 0 HG23 ILE D 75 -2.956 -5.592 -1.909 1.00 0.00 H new ATOM 0 HD11 ILE D 75 0.351 -5.984 0.006 1.00 0.00 H new ATOM 0 HD12 ILE D 75 -0.831 -5.415 -1.196 1.00 0.00 H new ATOM 0 HD13 ILE D 75 -1.055 -5.024 0.526 1.00 0.00 H new ATOM 969 N LYS D 76 -5.864 -6.862 1.072 1.00 0.00 N ATOM 970 CA LYS D 76 -7.288 -7.079 0.955 1.00 0.00 C ATOM 971 C LYS D 76 -8.104 -5.915 1.485 1.00 0.00 C ATOM 972 O LYS D 76 -9.086 -5.526 0.881 1.00 0.00 O ATOM 973 CB LYS D 76 -7.634 -8.375 1.673 1.00 0.00 C ATOM 974 CG LYS D 76 -7.621 -9.634 0.830 1.00 0.00 C ATOM 975 CD LYS D 76 -8.837 -9.826 -0.026 1.00 0.00 C ATOM 976 CE LYS D 76 -8.805 -11.115 -0.776 1.00 0.00 C ATOM 977 NZ LYS D 76 -9.942 -11.364 -1.582 1.00 0.00 N ATOM 0 H LYS D 76 -5.422 -7.540 1.692 1.00 0.00 H new ATOM 0 HA LYS D 76 -7.546 -7.156 -0.101 1.00 0.00 H new ATOM 0 HB2 LYS D 76 -6.932 -8.508 2.497 1.00 0.00 H new ATOM 0 HB3 LYS D 76 -8.626 -8.268 2.113 1.00 0.00 H new ATOM 0 HG2 LYS D 76 -6.740 -9.616 0.188 1.00 0.00 H new ATOM 0 HG3 LYS D 76 -7.518 -10.496 1.489 1.00 0.00 H new ATOM 0 HD2 LYS D 76 -9.728 -9.795 0.601 1.00 0.00 H new ATOM 0 HD3 LYS D 76 -8.915 -8.999 -0.732 1.00 0.00 H new ATOM 0 HE2 LYS D 76 -7.918 -11.128 -1.410 1.00 0.00 H new ATOM 0 HE3 LYS D 76 -8.698 -11.932 -0.062 1.00 0.00 H new ATOM 0 HZ1 LYS D 76 -9.832 -12.279 -2.064 1.00 0.00 H new ATOM 0 HZ2 LYS D 76 -10.793 -11.387 -0.984 1.00 0.00 H new ATOM 0 HZ3 LYS D 76 -10.037 -10.609 -2.291 1.00 0.00 H new ATOM 991 N ALA D 77 -7.663 -5.330 2.590 1.00 0.00 N ATOM 992 CA ALA D 77 -8.098 -4.031 3.042 1.00 0.00 C ATOM 993 C ALA D 77 -7.791 -2.980 1.994 1.00 0.00 C ATOM 994 O ALA D 77 -8.688 -2.298 1.517 1.00 0.00 O ATOM 995 CB ALA D 77 -7.484 -3.720 4.395 1.00 0.00 C ATOM 0 H ALA D 77 -6.976 -5.763 3.207 1.00 0.00 H new ATOM 0 HA ALA D 77 -9.180 -4.028 3.177 1.00 0.00 H new ATOM 0 HB1 ALA D 77 -7.818 -2.737 4.729 1.00 0.00 H new ATOM 0 HB2 ALA D 77 -7.796 -4.474 5.118 1.00 0.00 H new ATOM 0 HB3 ALA D 77 -6.397 -3.725 4.311 1.00 0.00 H new ATOM 1001 N ILE D 78 -6.534 -2.832 1.583 1.00 0.00 N ATOM 1002 CA ILE D 78 -6.072 -1.709 0.799 1.00 0.00 C ATOM 1003 C ILE D 78 -6.634 -1.707 -0.612 1.00 0.00 C ATOM 1004 O ILE D 78 -7.170 -0.683 -1.015 1.00 0.00 O ATOM 1005 CB ILE D 78 -4.562 -1.542 0.886 1.00 0.00 C ATOM 1006 CG1 ILE D 78 -4.175 -0.174 1.417 1.00 0.00 C ATOM 1007 CG2 ILE D 78 -3.750 -1.950 -0.330 1.00 0.00 C ATOM 1008 CD1 ILE D 78 -4.428 0.992 0.493 1.00 0.00 C ATOM 0 H ILE D 78 -5.800 -3.508 1.794 1.00 0.00 H new ATOM 0 HA ILE D 78 -6.483 -0.804 1.247 1.00 0.00 H new ATOM 0 HB ILE D 78 -4.270 -2.295 1.618 1.00 0.00 H new ATOM 0 HG12 ILE D 78 -4.718 -0.000 2.346 1.00 0.00 H new ATOM 0 HG13 ILE D 78 -3.114 -0.190 1.667 1.00 0.00 H new ATOM 0 HG21 ILE D 78 -2.691 -1.780 -0.134 1.00 0.00 H new ATOM 0 HG22 ILE D 78 -3.915 -3.007 -0.540 1.00 0.00 H new ATOM 0 HG23 ILE D 78 -4.060 -1.357 -1.190 1.00 0.00 H new ATOM 0 HD11 ILE D 78 -4.113 1.916 0.978 1.00 0.00 H new ATOM 0 HD12 ILE D 78 -3.862 0.855 -0.429 1.00 0.00 H new ATOM 0 HD13 ILE D 78 -5.492 1.048 0.261 1.00 0.00 H new ATOM 1020 N ALA D 79 -6.696 -2.821 -1.341 1.00 0.00 N ATOM 1021 CA ALA D 79 -7.222 -2.836 -2.685 1.00 0.00 C ATOM 1022 C ALA D 79 -8.699 -2.483 -2.769 1.00 0.00 C ATOM 1023 O ALA D 79 -9.185 -1.927 -3.743 1.00 0.00 O ATOM 1024 CB ALA D 79 -6.954 -4.196 -3.300 1.00 0.00 C ATOM 0 H ALA D 79 -6.381 -3.732 -1.007 1.00 0.00 H new ATOM 0 HA ALA D 79 -6.709 -2.055 -3.246 1.00 0.00 H new ATOM 0 HB1 ALA D 79 -7.347 -4.220 -4.316 1.00 0.00 H new ATOM 0 HB2 ALA D 79 -5.880 -4.380 -3.322 1.00 0.00 H new ATOM 0 HB3 ALA D 79 -7.442 -4.967 -2.704 1.00 0.00 H new ATOM 1030 N ALA D 80 -9.436 -2.711 -1.690 1.00 0.00 N ATOM 1031 CA ALA D 80 -10.802 -2.271 -1.524 1.00 0.00 C ATOM 1032 C ALA D 80 -10.900 -0.799 -1.164 1.00 0.00 C ATOM 1033 O ALA D 80 -11.685 -0.041 -1.716 1.00 0.00 O ATOM 1034 CB ALA D 80 -11.540 -3.193 -0.578 1.00 0.00 C ATOM 0 H ALA D 80 -9.081 -3.225 -0.883 1.00 0.00 H new ATOM 0 HA ALA D 80 -11.309 -2.342 -2.487 1.00 0.00 H new ATOM 0 HB1 ALA D 80 -12.568 -2.849 -0.463 1.00 0.00 H new ATOM 0 HB2 ALA D 80 -11.539 -4.205 -0.982 1.00 0.00 H new ATOM 0 HB3 ALA D 80 -11.045 -3.190 0.393 1.00 0.00 H new ATOM 1040 N ILE D 81 -10.035 -0.345 -0.267 1.00 0.00 N ATOM 1041 CA ILE D 81 -9.907 1.013 0.211 1.00 0.00 C ATOM 1042 C ILE D 81 -9.422 1.937 -0.892 1.00 0.00 C ATOM 1043 O ILE D 81 -9.908 3.052 -1.007 1.00 0.00 O ATOM 1044 CB ILE D 81 -9.052 1.091 1.465 1.00 0.00 C ATOM 1045 CG1 ILE D 81 -9.702 0.422 2.664 1.00 0.00 C ATOM 1046 CG2 ILE D 81 -8.697 2.517 1.820 1.00 0.00 C ATOM 1047 CD1 ILE D 81 -8.740 0.026 3.767 1.00 0.00 C ATOM 0 H ILE D 81 -9.358 -0.967 0.174 1.00 0.00 H new ATOM 0 HA ILE D 81 -10.898 1.362 0.501 1.00 0.00 H new ATOM 0 HB ILE D 81 -8.139 0.546 1.225 1.00 0.00 H new ATOM 0 HG12 ILE D 81 -10.450 1.098 3.078 1.00 0.00 H new ATOM 0 HG13 ILE D 81 -10.230 -0.469 2.324 1.00 0.00 H new ATOM 0 HG21 ILE D 81 -8.086 2.526 2.722 1.00 0.00 H new ATOM 0 HG22 ILE D 81 -8.139 2.968 0.999 1.00 0.00 H new ATOM 0 HG23 ILE D 81 -9.610 3.087 1.995 1.00 0.00 H new ATOM 0 HD11 ILE D 81 -9.293 -0.444 4.581 1.00 0.00 H new ATOM 0 HD12 ILE D 81 -8.005 -0.677 3.374 1.00 0.00 H new ATOM 0 HD13 ILE D 81 -8.229 0.914 4.140 1.00 0.00 H new ATOM 1059 N ILE D 82 -8.539 1.484 -1.774 1.00 0.00 N ATOM 1060 CA ILE D 82 -8.150 2.186 -2.975 1.00 0.00 C ATOM 1061 C ILE D 82 -9.362 2.589 -3.797 1.00 0.00 C ATOM 1062 O ILE D 82 -9.484 3.732 -4.203 1.00 0.00 O ATOM 1063 CB ILE D 82 -7.158 1.360 -3.783 1.00 0.00 C ATOM 1064 CG1 ILE D 82 -5.820 1.304 -3.068 1.00 0.00 C ATOM 1065 CG2 ILE D 82 -6.959 1.955 -5.170 1.00 0.00 C ATOM 1066 CD1 ILE D 82 -4.695 0.527 -3.707 1.00 0.00 C ATOM 0 H ILE D 82 -8.063 0.589 -1.663 1.00 0.00 H new ATOM 0 HA ILE D 82 -7.647 3.108 -2.684 1.00 0.00 H new ATOM 0 HB ILE D 82 -7.563 0.353 -3.885 1.00 0.00 H new ATOM 0 HG12 ILE D 82 -5.477 2.329 -2.926 1.00 0.00 H new ATOM 0 HG13 ILE D 82 -5.991 0.885 -2.076 1.00 0.00 H new ATOM 0 HG21 ILE D 82 -6.246 1.347 -5.728 1.00 0.00 H new ATOM 0 HG22 ILE D 82 -7.912 1.973 -5.698 1.00 0.00 H new ATOM 0 HG23 ILE D 82 -6.576 2.971 -5.078 1.00 0.00 H new ATOM 0 HD11 ILE D 82 -3.809 0.583 -3.075 1.00 0.00 H new ATOM 0 HD12 ILE D 82 -4.992 -0.515 -3.823 1.00 0.00 H new ATOM 0 HD13 ILE D 82 -4.470 0.951 -4.686 1.00 0.00 H new ATOM 1078 N LYS D 83 -10.241 1.625 -4.061 1.00 0.00 N ATOM 1079 CA LYS D 83 -11.448 1.769 -4.840 1.00 0.00 C ATOM 1080 C LYS D 83 -12.519 2.591 -4.148 1.00 0.00 C ATOM 1081 O LYS D 83 -13.136 3.422 -4.793 1.00 0.00 O ATOM 1082 CB LYS D 83 -11.960 0.367 -5.137 1.00 0.00 C ATOM 1083 CG LYS D 83 -11.236 -0.286 -6.262 1.00 0.00 C ATOM 1084 CD LYS D 83 -11.765 -1.649 -6.645 1.00 0.00 C ATOM 1085 CE LYS D 83 -11.610 -2.658 -5.624 1.00 0.00 C ATOM 1086 NZ LYS D 83 -12.111 -3.946 -6.010 1.00 0.00 N ATOM 0 H LYS D 83 -10.115 0.674 -3.714 1.00 0.00 H new ATOM 0 HA LYS D 83 -11.213 2.316 -5.753 1.00 0.00 H new ATOM 0 HB2 LYS D 83 -11.862 -0.248 -4.242 1.00 0.00 H new ATOM 0 HB3 LYS D 83 -13.023 0.416 -5.375 1.00 0.00 H new ATOM 0 HG2 LYS D 83 -11.284 0.366 -7.134 1.00 0.00 H new ATOM 0 HG3 LYS D 83 -10.184 -0.382 -5.993 1.00 0.00 H new ATOM 0 HD2 LYS D 83 -12.823 -1.558 -6.891 1.00 0.00 H new ATOM 0 HD3 LYS D 83 -11.255 -1.983 -7.549 1.00 0.00 H new ATOM 0 HE2 LYS D 83 -10.553 -2.749 -5.372 1.00 0.00 H new ATOM 0 HE3 LYS D 83 -12.126 -2.332 -4.721 1.00 0.00 H new ATOM 0 HZ1 LYS D 83 -11.968 -4.621 -5.232 1.00 0.00 H new ATOM 0 HZ2 LYS D 83 -13.126 -3.874 -6.224 1.00 0.00 H new ATOM 0 HZ3 LYS D 83 -11.602 -4.278 -6.854 1.00 0.00 H new ATOM 1100 N ALA D 84 -12.705 2.402 -2.845 1.00 0.00 N ATOM 1101 CA ALA D 84 -13.651 3.113 -2.026 1.00 0.00 C ATOM 1102 C ALA D 84 -13.217 4.538 -1.756 1.00 0.00 C ATOM 1103 O ALA D 84 -14.010 5.438 -1.907 1.00 0.00 O ATOM 1104 CB ALA D 84 -13.843 2.344 -0.733 1.00 0.00 C ATOM 0 H ALA D 84 -12.169 1.713 -2.317 1.00 0.00 H new ATOM 0 HA ALA D 84 -14.598 3.182 -2.561 1.00 0.00 H new ATOM 0 HB1 ALA D 84 -14.558 2.870 -0.100 1.00 0.00 H new ATOM 0 HB2 ALA D 84 -14.221 1.346 -0.956 1.00 0.00 H new ATOM 0 HB3 ALA D 84 -12.889 2.263 -0.213 1.00 0.00 H new ATOM 1110 N GLY D 85 -11.959 4.745 -1.423 1.00 0.00 N ATOM 1111 CA GLY D 85 -11.283 5.998 -1.206 1.00 0.00 C ATOM 1112 C GLY D 85 -11.048 6.794 -2.473 1.00 0.00 C ATOM 1113 O GLY D 85 -11.118 8.000 -2.446 1.00 0.00 O ATOM 0 H GLY D 85 -11.326 3.957 -1.285 1.00 0.00 H new ATOM 0 HA2 GLY D 85 -11.869 6.601 -0.513 1.00 0.00 H new ATOM 0 HA3 GLY D 85 -10.323 5.804 -0.727 1.00 0.00 H new ATOM 1117 N GLY D 86 -10.796 6.137 -3.585 1.00 0.00 N ATOM 1118 CA GLY D 86 -10.723 6.724 -4.894 1.00 0.00 C ATOM 1119 C GLY D 86 -9.415 7.411 -5.188 1.00 0.00 C ATOM 1120 O GLY D 86 -9.441 8.456 -5.763 1.00 0.00 O ATOM 0 H GLY D 86 -10.629 5.131 -3.595 1.00 0.00 H new ATOM 0 HA2 GLY D 86 -10.888 5.946 -5.639 1.00 0.00 H new ATOM 0 HA3 GLY D 86 -11.533 7.446 -5.002 1.00 0.00 H new ATOM 1124 N TYR D 87 -8.291 6.821 -4.835 1.00 0.00 N ATOM 1125 CA TYR D 87 -6.973 7.377 -4.949 1.00 0.00 C ATOM 1126 C TYR D 87 -6.625 7.905 -6.301 1.00 0.00 C ATOM 1127 O TYR D 87 -5.910 8.839 -6.388 1.00 0.00 O ATOM 1128 CB TYR D 87 -5.940 6.341 -4.550 1.00 0.00 C ATOM 1129 CG TYR D 87 -5.581 6.203 -3.097 1.00 0.00 C ATOM 1130 CD1 TYR D 87 -4.899 7.165 -2.368 1.00 0.00 C ATOM 1131 CD2 TYR D 87 -5.779 4.951 -2.524 1.00 0.00 C ATOM 1132 CE1 TYR D 87 -4.491 6.877 -1.062 1.00 0.00 C ATOM 1133 CE2 TYR D 87 -5.399 4.652 -1.214 1.00 0.00 C ATOM 1134 CZ TYR D 87 -4.753 5.635 -0.465 1.00 0.00 C ATOM 1135 OH TYR D 87 -4.472 5.425 0.847 1.00 0.00 O ATOM 0 H TYR D 87 -8.282 5.882 -4.437 1.00 0.00 H new ATOM 0 HA TYR D 87 -6.968 8.234 -4.276 1.00 0.00 H new ATOM 0 HB2 TYR D 87 -6.294 5.370 -4.897 1.00 0.00 H new ATOM 0 HB3 TYR D 87 -5.023 6.560 -5.098 1.00 0.00 H new ATOM 0 HD1 TYR D 87 -4.685 8.129 -2.805 1.00 0.00 H new ATOM 0 HD2 TYR D 87 -6.246 4.178 -3.117 1.00 0.00 H new ATOM 0 HE1 TYR D 87 -3.960 7.630 -0.498 1.00 0.00 H new ATOM 0 HE2 TYR D 87 -5.601 3.680 -0.790 1.00 0.00 H new ATOM 0 HH TYR D 87 -5.157 5.853 1.401 1.00 0.00 H new HETATM 1145 N NH2 D 88 -7.054 7.358 -7.366 1.00 0.00 N TER 1148 NH2 D 88