USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=7 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+ -155:sc= -0.0939 (180deg=-0.519) USER MOD Single : A 21 TYR OH : rot 100:sc= 1.06 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+ 171:sc= 0 (180deg=-0.0638) USER MOD Single : B 43 TYR OH : rot 110:sc= 0.162 USER MOD Single : C 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 54 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000954) USER MOD Single : C 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 65 TYR OH : rot 103:sc= 0.614 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 81:sc= 0.00119 USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 1 1.254 15.548 2.684 1.00 0.00 C HETATM 2 O ACE A 1 0.447 16.151 2.018 1.00 0.00 O HETATM 3 CH3 ACE A 1 2.220 16.311 3.547 1.00 0.00 C HETATM 0 H1 ACE A 1 2.082 16.023 4.589 1.00 0.00 H new HETATM 0 H2 ACE A 1 3.241 16.083 3.240 1.00 0.00 H new HETATM 0 H3 ACE A 1 2.038 17.380 3.439 1.00 0.00 H new ATOM 7 N ALA A 2 1.326 14.232 2.685 1.00 0.00 N ATOM 8 CA ALA A 2 0.524 13.260 2.003 1.00 0.00 C ATOM 9 C ALA A 2 0.377 13.425 0.505 1.00 0.00 C ATOM 10 O ALA A 2 -0.471 12.796 -0.108 1.00 0.00 O ATOM 11 CB ALA A 2 -0.795 13.116 2.717 1.00 0.00 C ATOM 0 H ALA A 2 2.046 13.769 3.240 1.00 0.00 H new ATOM 0 HA ALA A 2 1.082 12.325 2.056 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -1.409 12.377 2.202 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -0.620 12.791 3.742 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -1.312 14.076 2.724 1.00 0.00 H new ATOM 17 N LYS A 3 1.198 14.227 -0.161 1.00 0.00 N ATOM 18 CA LYS A 3 1.183 14.423 -1.587 1.00 0.00 C ATOM 19 C LYS A 3 1.585 13.233 -2.431 1.00 0.00 C ATOM 20 O LYS A 3 1.332 13.205 -3.625 1.00 0.00 O ATOM 21 CB LYS A 3 2.081 15.568 -1.996 1.00 0.00 C ATOM 22 CG LYS A 3 1.796 16.882 -1.303 1.00 0.00 C ATOM 23 CD LYS A 3 2.661 18.010 -1.797 1.00 0.00 C ATOM 24 CE LYS A 3 3.593 18.371 -1.245 1.00 0.00 C ATOM 25 NZ LYS A 3 4.353 19.494 -1.585 1.00 0.00 N ATOM 0 H LYS A 3 1.919 14.777 0.306 1.00 0.00 H new ATOM 0 HA LYS A 3 0.130 14.623 -1.783 1.00 0.00 H new ATOM 0 HB2 LYS A 3 3.116 15.287 -1.799 1.00 0.00 H new ATOM 0 HB3 LYS A 3 1.990 15.715 -3.072 1.00 0.00 H new ATOM 0 HG2 LYS A 3 0.748 17.144 -1.451 1.00 0.00 H new ATOM 0 HG3 LYS A 3 1.946 16.760 -0.230 1.00 0.00 H new ATOM 0 HD2 LYS A 3 2.985 17.734 -2.801 1.00 0.00 H new ATOM 0 HD3 LYS A 3 2.008 18.877 -1.900 1.00 0.00 H new ATOM 0 HE2 LYS A 3 3.285 18.523 -0.210 1.00 0.00 H new ATOM 0 HE3 LYS A 3 4.286 17.530 -1.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 5.145 19.592 -0.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 4.725 19.382 -2.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 3.755 20.344 -1.541 1.00 0.00 H new ATOM 39 N ALA A 4 2.190 12.214 -1.829 1.00 0.00 N ATOM 40 CA ALA A 4 2.507 10.929 -2.403 1.00 0.00 C ATOM 41 C ALA A 4 1.337 10.117 -2.926 1.00 0.00 C ATOM 42 O ALA A 4 1.489 9.016 -3.438 1.00 0.00 O ATOM 43 CB ALA A 4 3.287 10.176 -1.342 1.00 0.00 C ATOM 0 H ALA A 4 2.490 12.279 -0.856 1.00 0.00 H new ATOM 0 HA ALA A 4 3.083 11.099 -3.313 1.00 0.00 H new ATOM 0 HB1 ALA A 4 3.557 9.190 -1.720 1.00 0.00 H new ATOM 0 HB2 ALA A 4 4.192 10.730 -1.094 1.00 0.00 H new ATOM 0 HB3 ALA A 4 2.673 10.066 -0.448 1.00 0.00 H new ATOM 49 N ALA A 5 0.130 10.670 -2.828 1.00 0.00 N ATOM 50 CA ALA A 5 -1.098 9.920 -2.877 1.00 0.00 C ATOM 51 C ALA A 5 -1.699 9.687 -4.250 1.00 0.00 C ATOM 52 O ALA A 5 -2.753 9.106 -4.370 1.00 0.00 O ATOM 53 CB ALA A 5 -2.074 10.618 -1.950 1.00 0.00 C ATOM 0 H ALA A 5 -0.012 11.673 -2.710 1.00 0.00 H new ATOM 0 HA ALA A 5 -0.868 8.903 -2.558 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -3.024 10.084 -1.953 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -1.669 10.631 -0.938 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -2.232 11.641 -2.291 1.00 0.00 H new ATOM 59 N ALA A 6 -0.985 10.007 -5.315 1.00 0.00 N ATOM 60 CA ALA A 6 -1.126 9.351 -6.590 1.00 0.00 C ATOM 61 C ALA A 6 0.067 8.476 -6.909 1.00 0.00 C ATOM 62 O ALA A 6 -0.088 7.276 -7.074 1.00 0.00 O ATOM 63 CB ALA A 6 -1.392 10.426 -7.626 1.00 0.00 C ATOM 0 H ALA A 6 -0.280 10.744 -5.311 1.00 0.00 H new ATOM 0 HA ALA A 6 -1.967 8.658 -6.579 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -1.505 9.965 -8.607 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -2.306 10.961 -7.369 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -0.556 11.126 -7.647 1.00 0.00 H new ATOM 69 N ALA A 7 1.273 9.030 -6.870 1.00 0.00 N ATOM 70 CA ALA A 7 2.504 8.470 -7.363 1.00 0.00 C ATOM 71 C ALA A 7 2.840 7.124 -6.756 1.00 0.00 C ATOM 72 O ALA A 7 3.321 6.275 -7.467 1.00 0.00 O ATOM 73 CB ALA A 7 3.613 9.456 -7.084 1.00 0.00 C ATOM 0 H ALA A 7 1.415 9.953 -6.459 1.00 0.00 H new ATOM 0 HA ALA A 7 2.387 8.294 -8.432 1.00 0.00 H new ATOM 0 HB1 ALA A 7 4.558 9.054 -7.449 1.00 0.00 H new ATOM 0 HB2 ALA A 7 3.399 10.397 -7.591 1.00 0.00 H new ATOM 0 HB3 ALA A 7 3.683 9.630 -6.010 1.00 0.00 H new ATOM 79 N ALA A 8 2.527 6.883 -5.500 1.00 0.00 N ATOM 80 CA ALA A 8 2.771 5.610 -4.865 1.00 0.00 C ATOM 81 C ALA A 8 1.635 4.633 -5.101 1.00 0.00 C ATOM 82 O ALA A 8 1.860 3.470 -5.371 1.00 0.00 O ATOM 83 CB ALA A 8 3.015 5.803 -3.381 1.00 0.00 C ATOM 0 H ALA A 8 2.092 7.573 -4.888 1.00 0.00 H new ATOM 0 HA ALA A 8 3.664 5.179 -5.317 1.00 0.00 H new ATOM 0 HB1 ALA A 8 3.198 4.835 -2.913 1.00 0.00 H new ATOM 0 HB2 ALA A 8 3.883 6.446 -3.236 1.00 0.00 H new ATOM 0 HB3 ALA A 8 2.140 6.266 -2.926 1.00 0.00 H new ATOM 89 N ILE A 9 0.398 5.115 -5.046 1.00 0.00 N ATOM 90 CA ILE A 9 -0.809 4.353 -5.271 1.00 0.00 C ATOM 91 C ILE A 9 -0.909 3.830 -6.691 1.00 0.00 C ATOM 92 O ILE A 9 -1.227 2.672 -6.890 1.00 0.00 O ATOM 93 CB ILE A 9 -2.046 5.188 -4.964 1.00 0.00 C ATOM 94 CG1 ILE A 9 -2.047 5.866 -3.605 1.00 0.00 C ATOM 95 CG2 ILE A 9 -3.296 4.343 -5.147 1.00 0.00 C ATOM 96 CD1 ILE A 9 -1.942 4.928 -2.418 1.00 0.00 C ATOM 0 H ILE A 9 0.209 6.094 -4.833 1.00 0.00 H new ATOM 0 HA ILE A 9 -0.759 3.500 -4.595 1.00 0.00 H new ATOM 0 HB ILE A 9 -2.032 6.010 -5.680 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -1.216 6.570 -3.567 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -2.963 6.449 -3.508 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -4.178 4.945 -4.926 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -3.348 3.988 -6.176 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -3.261 3.489 -4.470 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -1.951 5.507 -1.495 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -2.787 4.239 -2.423 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -1.013 4.362 -2.482 1.00 0.00 H new ATOM 108 N LYS A 10 -0.613 4.675 -7.672 1.00 0.00 N ATOM 109 CA LYS A 10 -0.667 4.415 -9.091 1.00 0.00 C ATOM 110 C LYS A 10 0.358 3.364 -9.472 1.00 0.00 C ATOM 111 O LYS A 10 0.045 2.508 -10.277 1.00 0.00 O ATOM 112 CB LYS A 10 -0.507 5.731 -9.838 1.00 0.00 C ATOM 113 CG LYS A 10 -1.800 6.531 -9.879 1.00 0.00 C ATOM 114 CD LYS A 10 -1.690 7.729 -10.787 1.00 0.00 C ATOM 115 CE LYS A 10 -2.998 8.417 -10.939 1.00 0.00 C ATOM 116 NZ LYS A 10 -2.970 9.485 -11.889 1.00 0.00 N ATOM 0 H LYS A 10 -0.307 5.628 -7.473 1.00 0.00 H new ATOM 0 HA LYS A 10 -1.634 3.999 -9.375 1.00 0.00 H new ATOM 0 HB2 LYS A 10 0.271 6.326 -9.359 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -0.174 5.530 -10.856 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -2.613 5.890 -10.220 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -2.055 6.861 -8.872 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -0.955 8.426 -10.384 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -1.327 7.414 -11.765 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -3.750 7.689 -11.244 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -3.308 8.810 -9.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -3.912 9.922 -11.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -2.275 10.198 -11.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -2.703 9.112 -12.822 1.00 0.00 H new ATOM 130 N ALA A 11 1.545 3.387 -8.881 1.00 0.00 N ATOM 131 CA ALA A 11 2.424 2.247 -8.891 1.00 0.00 C ATOM 132 C ALA A 11 1.754 1.027 -8.295 1.00 0.00 C ATOM 133 O ALA A 11 1.619 0.020 -8.972 1.00 0.00 O ATOM 134 CB ALA A 11 3.748 2.599 -8.254 1.00 0.00 C ATOM 0 H ALA A 11 1.916 4.198 -8.385 1.00 0.00 H new ATOM 0 HA ALA A 11 2.646 1.972 -9.922 1.00 0.00 H new ATOM 0 HB1 ALA A 11 4.402 1.727 -8.269 1.00 0.00 H new ATOM 0 HB2 ALA A 11 4.215 3.412 -8.810 1.00 0.00 H new ATOM 0 HB3 ALA A 11 3.584 2.912 -7.223 1.00 0.00 H new ATOM 140 N ILE A 12 1.314 1.076 -7.039 1.00 0.00 N ATOM 141 CA ILE A 12 0.884 -0.063 -6.263 1.00 0.00 C ATOM 142 C ILE A 12 -0.374 -0.721 -6.805 1.00 0.00 C ATOM 143 O ILE A 12 -0.334 -1.927 -7.007 1.00 0.00 O ATOM 144 CB ILE A 12 0.846 0.231 -4.777 1.00 0.00 C ATOM 145 CG1 ILE A 12 1.902 -0.537 -4.061 1.00 0.00 C ATOM 146 CG2 ILE A 12 -0.455 0.103 -4.048 1.00 0.00 C ATOM 147 CD1 ILE A 12 1.697 -2.013 -3.980 1.00 0.00 C ATOM 0 H ILE A 12 1.248 1.952 -6.521 1.00 0.00 H new ATOM 0 HA ILE A 12 1.654 -0.826 -6.383 1.00 0.00 H new ATOM 0 HB ILE A 12 1.028 1.305 -4.760 1.00 0.00 H new ATOM 0 HG12 ILE A 12 2.856 -0.349 -4.553 1.00 0.00 H new ATOM 0 HG13 ILE A 12 1.984 -0.145 -3.047 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.308 0.348 -2.996 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.184 0.788 -4.482 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -0.821 -0.920 -4.135 1.00 0.00 H new ATOM 0 HD11 ILE A 12 2.527 -2.466 -3.438 1.00 0.00 H new ATOM 0 HD12 ILE A 12 0.764 -2.223 -3.457 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.650 -2.430 -4.986 1.00 0.00 H new ATOM 159 N ALA A 13 -1.426 0.009 -7.171 1.00 0.00 N ATOM 160 CA ALA A 13 -2.617 -0.628 -7.677 1.00 0.00 C ATOM 161 C ALA A 13 -2.410 -1.376 -8.982 1.00 0.00 C ATOM 162 O ALA A 13 -3.098 -2.340 -9.259 1.00 0.00 O ATOM 163 CB ALA A 13 -3.704 0.433 -7.765 1.00 0.00 C ATOM 0 H ALA A 13 -1.469 1.027 -7.124 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.919 -1.416 -6.987 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.621 -0.017 -8.145 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.887 0.849 -6.774 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -3.383 1.228 -8.438 1.00 0.00 H new ATOM 169 N ALA A 14 -1.395 -1.001 -9.751 1.00 0.00 N ATOM 170 CA ALA A 14 -0.984 -1.670 -10.965 1.00 0.00 C ATOM 171 C ALA A 14 -0.020 -2.805 -10.698 1.00 0.00 C ATOM 172 O ALA A 14 -0.158 -3.888 -11.245 1.00 0.00 O ATOM 173 CB ALA A 14 -0.387 -0.665 -11.905 1.00 0.00 C ATOM 0 H ALA A 14 -0.817 -0.190 -9.531 1.00 0.00 H new ATOM 0 HA ALA A 14 -1.866 -2.119 -11.422 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -0.075 -1.165 -12.822 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -1.129 0.098 -12.141 1.00 0.00 H new ATOM 0 HB3 ALA A 14 0.478 -0.196 -11.435 1.00 0.00 H new ATOM 179 N ILE A 15 0.899 -2.617 -9.759 1.00 0.00 N ATOM 180 CA ILE A 15 1.799 -3.622 -9.243 1.00 0.00 C ATOM 181 C ILE A 15 1.000 -4.734 -8.592 1.00 0.00 C ATOM 182 O ILE A 15 1.419 -5.879 -8.690 1.00 0.00 O ATOM 183 CB ILE A 15 2.810 -3.004 -8.290 1.00 0.00 C ATOM 184 CG1 ILE A 15 3.894 -2.245 -9.033 1.00 0.00 C ATOM 185 CG2 ILE A 15 3.477 -3.997 -7.375 1.00 0.00 C ATOM 186 CD1 ILE A 15 4.694 -1.263 -8.199 1.00 0.00 C ATOM 0 H ILE A 15 1.038 -1.708 -9.318 1.00 0.00 H new ATOM 0 HA ILE A 15 2.369 -4.055 -10.064 1.00 0.00 H new ATOM 0 HB ILE A 15 2.218 -2.324 -7.678 1.00 0.00 H new ATOM 0 HG12 ILE A 15 4.583 -2.967 -9.472 1.00 0.00 H new ATOM 0 HG13 ILE A 15 3.433 -1.702 -9.858 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.183 -3.478 -6.727 1.00 0.00 H new ATOM 0 HG22 ILE A 15 2.722 -4.493 -6.765 1.00 0.00 H new ATOM 0 HG23 ILE A 15 4.009 -4.740 -7.970 1.00 0.00 H new ATOM 0 HD11 ILE A 15 5.440 -0.776 -8.827 1.00 0.00 H new ATOM 0 HD12 ILE A 15 4.025 -0.511 -7.781 1.00 0.00 H new ATOM 0 HD13 ILE A 15 5.193 -1.795 -7.389 1.00 0.00 H new ATOM 198 N ILE A 16 -0.140 -4.452 -7.969 1.00 0.00 N ATOM 199 CA ILE A 16 -1.033 -5.445 -7.426 1.00 0.00 C ATOM 200 C ILE A 16 -1.624 -6.328 -8.501 1.00 0.00 C ATOM 201 O ILE A 16 -1.438 -7.533 -8.459 1.00 0.00 O ATOM 202 CB ILE A 16 -2.063 -4.807 -6.505 1.00 0.00 C ATOM 203 CG1 ILE A 16 -1.351 -4.385 -5.236 1.00 0.00 C ATOM 204 CG2 ILE A 16 -3.199 -5.751 -6.142 1.00 0.00 C ATOM 205 CD1 ILE A 16 -2.183 -3.718 -4.164 1.00 0.00 C ATOM 0 H ILE A 16 -0.469 -3.497 -7.829 1.00 0.00 H new ATOM 0 HA ILE A 16 -0.452 -6.123 -6.801 1.00 0.00 H new ATOM 0 HB ILE A 16 -2.507 -3.961 -7.029 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -0.885 -5.269 -4.800 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -0.546 -3.704 -5.511 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -3.901 -5.239 -5.484 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -3.715 -6.065 -7.049 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -2.796 -6.626 -5.632 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -1.549 -3.469 -3.313 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -2.628 -2.807 -4.563 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.973 -4.397 -3.841 1.00 0.00 H new ATOM 217 N LYS A 17 -2.309 -5.729 -9.469 1.00 0.00 N ATOM 218 CA LYS A 17 -2.844 -6.379 -10.641 1.00 0.00 C ATOM 219 C LYS A 17 -1.819 -7.261 -11.319 1.00 0.00 C ATOM 220 O LYS A 17 -2.166 -8.351 -11.721 1.00 0.00 O ATOM 221 CB LYS A 17 -3.413 -5.327 -11.575 1.00 0.00 C ATOM 222 CG LYS A 17 -4.107 -5.763 -12.844 1.00 0.00 C ATOM 223 CD LYS A 17 -5.333 -6.604 -12.679 1.00 0.00 C ATOM 224 CE LYS A 17 -5.217 -8.029 -12.965 1.00 0.00 C ATOM 225 NZ LYS A 17 -4.853 -8.290 -14.237 1.00 0.00 N ATOM 0 H LYS A 17 -2.511 -4.729 -9.449 1.00 0.00 H new ATOM 0 HA LYS A 17 -3.649 -7.049 -10.340 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -4.122 -4.730 -11.002 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -2.595 -4.665 -11.860 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -4.379 -4.871 -13.408 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -3.392 -6.318 -13.451 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -5.680 -6.495 -11.651 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -6.111 -6.194 -13.323 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -4.486 -8.470 -12.287 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -6.173 -8.512 -12.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -5.184 -9.239 -14.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -5.277 -7.583 -14.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -3.817 -8.250 -14.317 1.00 0.00 H new ATOM 239 N ALA A 18 -0.587 -6.802 -11.471 1.00 0.00 N ATOM 240 CA ALA A 18 0.468 -7.498 -12.160 1.00 0.00 C ATOM 241 C ALA A 18 1.226 -8.466 -11.280 1.00 0.00 C ATOM 242 O ALA A 18 1.824 -9.392 -11.764 1.00 0.00 O ATOM 243 CB ALA A 18 1.376 -6.479 -12.805 1.00 0.00 C ATOM 0 H ALA A 18 -0.291 -5.899 -11.100 1.00 0.00 H new ATOM 0 HA ALA A 18 0.019 -8.127 -12.929 1.00 0.00 H new ATOM 0 HB1 ALA A 18 2.181 -6.991 -13.332 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.804 -5.878 -13.512 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.799 -5.831 -12.037 1.00 0.00 H new ATOM 249 N GLY A 19 1.231 -8.253 -9.981 1.00 0.00 N ATOM 250 CA GLY A 19 1.942 -8.974 -8.965 1.00 0.00 C ATOM 251 C GLY A 19 1.351 -10.332 -8.657 1.00 0.00 C ATOM 252 O GLY A 19 2.077 -11.296 -8.525 1.00 0.00 O ATOM 0 H GLY A 19 0.681 -7.494 -9.579 1.00 0.00 H new ATOM 0 HA2 GLY A 19 2.978 -9.101 -9.280 1.00 0.00 H new ATOM 0 HA3 GLY A 19 1.957 -8.378 -8.052 1.00 0.00 H new ATOM 256 N GLY A 20 0.032 -10.410 -8.641 1.00 0.00 N ATOM 257 CA GLY A 20 -0.758 -11.580 -8.343 1.00 0.00 C ATOM 258 C GLY A 20 -1.034 -11.776 -6.880 1.00 0.00 C ATOM 259 O GLY A 20 -1.228 -12.871 -6.443 1.00 0.00 O ATOM 0 H GLY A 20 -0.550 -9.599 -8.851 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -1.707 -11.510 -8.875 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -0.242 -12.461 -8.726 1.00 0.00 H new ATOM 263 N TYR A 21 -1.060 -10.706 -6.104 1.00 0.00 N ATOM 264 CA TYR A 21 -1.351 -10.683 -4.707 1.00 0.00 C ATOM 265 C TYR A 21 -2.639 -11.308 -4.328 1.00 0.00 C ATOM 266 O TYR A 21 -2.768 -11.815 -3.271 1.00 0.00 O ATOM 267 CB TYR A 21 -1.355 -9.245 -4.241 1.00 0.00 C ATOM 268 CG TYR A 21 -0.045 -8.618 -3.858 1.00 0.00 C ATOM 269 CD1 TYR A 21 0.657 -8.974 -2.719 1.00 0.00 C ATOM 270 CD2 TYR A 21 0.358 -7.518 -4.582 1.00 0.00 C ATOM 271 CE1 TYR A 21 1.702 -8.158 -2.288 1.00 0.00 C ATOM 272 CE2 TYR A 21 1.404 -6.693 -4.168 1.00 0.00 C ATOM 273 CZ TYR A 21 2.084 -7.026 -3.008 1.00 0.00 C ATOM 274 OH TYR A 21 3.129 -6.268 -2.587 1.00 0.00 O ATOM 0 H TYR A 21 -0.863 -9.775 -6.472 1.00 0.00 H new ATOM 0 HA TYR A 21 -0.575 -11.279 -4.226 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -1.794 -8.640 -5.034 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -2.021 -9.176 -3.381 1.00 0.00 H new ATOM 0 HD1 TYR A 21 0.399 -9.870 -2.173 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -0.154 -7.286 -5.504 1.00 0.00 H new ATOM 0 HE1 TYR A 21 2.227 -8.408 -1.378 1.00 0.00 H new ATOM 0 HE2 TYR A 21 1.677 -5.817 -4.737 1.00 0.00 H new ATOM 0 HH TYR A 21 3.928 -6.493 -3.108 1.00 0.00 H new HETATM 284 N NH2 A 22 -3.639 -11.278 -5.166 1.00 0.00 N TER 287 NH2 A 22 HETATM 288 C ACE B 23 2.030 -13.663 -5.410 1.00 0.00 C HETATM 289 O ACE B 23 2.433 -12.545 -5.621 1.00 0.00 O HETATM 290 CH3 ACE B 23 1.667 -14.605 -6.529 1.00 0.00 C HETATM 0 H1 ACE B 23 2.290 -15.497 -6.470 1.00 0.00 H new HETATM 0 H2 ACE B 23 0.618 -14.889 -6.440 1.00 0.00 H new HETATM 0 H3 ACE B 23 1.829 -14.111 -7.487 1.00 0.00 H new ATOM 294 N ALA B 24 1.950 -14.153 -4.192 1.00 0.00 N ATOM 295 CA ALA B 24 2.299 -13.435 -2.996 1.00 0.00 C ATOM 296 C ALA B 24 3.738 -13.023 -2.868 1.00 0.00 C ATOM 297 O ALA B 24 4.036 -12.152 -2.081 1.00 0.00 O ATOM 298 CB ALA B 24 1.866 -14.261 -1.822 1.00 0.00 C ATOM 0 H ALA B 24 1.626 -15.102 -4.006 1.00 0.00 H new ATOM 0 HA ALA B 24 1.775 -12.481 -3.041 1.00 0.00 H new ATOM 0 HB1 ALA B 24 2.118 -13.741 -0.898 1.00 0.00 H new ATOM 0 HB2 ALA B 24 0.789 -14.420 -1.866 1.00 0.00 H new ATOM 0 HB3 ALA B 24 2.376 -15.224 -1.847 1.00 0.00 H new ATOM 304 N LYS B 25 4.613 -13.474 -3.730 1.00 0.00 N ATOM 305 CA LYS B 25 5.945 -12.964 -3.881 1.00 0.00 C ATOM 306 C LYS B 25 6.033 -11.507 -4.294 1.00 0.00 C ATOM 307 O LYS B 25 7.071 -10.888 -4.112 1.00 0.00 O ATOM 308 CB LYS B 25 6.700 -13.751 -4.914 1.00 0.00 C ATOM 309 CG LYS B 25 7.027 -15.162 -4.531 1.00 0.00 C ATOM 310 CD LYS B 25 7.728 -15.932 -5.564 1.00 0.00 C ATOM 311 CE LYS B 25 8.019 -17.329 -5.188 1.00 0.00 C ATOM 312 NZ LYS B 25 7.056 -18.203 -5.367 1.00 0.00 N ATOM 0 H LYS B 25 4.404 -14.239 -4.371 1.00 0.00 H new ATOM 0 HA LYS B 25 6.375 -13.058 -2.884 1.00 0.00 H new ATOM 0 HB2 LYS B 25 6.115 -13.768 -5.833 1.00 0.00 H new ATOM 0 HB3 LYS B 25 7.630 -13.228 -5.138 1.00 0.00 H new ATOM 0 HG2 LYS B 25 7.640 -15.146 -3.630 1.00 0.00 H new ATOM 0 HG3 LYS B 25 6.101 -15.679 -4.278 1.00 0.00 H new ATOM 0 HD2 LYS B 25 7.126 -15.931 -6.473 1.00 0.00 H new ATOM 0 HD3 LYS B 25 8.665 -15.429 -5.802 1.00 0.00 H new ATOM 0 HE2 LYS B 25 8.888 -17.660 -5.757 1.00 0.00 H new ATOM 0 HE3 LYS B 25 8.302 -17.346 -4.135 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 7.381 -19.144 -5.067 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 6.227 -17.927 -4.803 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 6.796 -18.231 -6.373 1.00 0.00 H new ATOM 326 N ALA B 26 4.940 -10.935 -4.789 1.00 0.00 N ATOM 327 CA ALA B 26 4.776 -9.532 -5.043 1.00 0.00 C ATOM 328 C ALA B 26 5.045 -8.634 -3.858 1.00 0.00 C ATOM 329 O ALA B 26 5.185 -7.429 -3.983 1.00 0.00 O ATOM 330 CB ALA B 26 3.356 -9.350 -5.537 1.00 0.00 C ATOM 0 H ALA B 26 4.110 -11.476 -5.032 1.00 0.00 H new ATOM 0 HA ALA B 26 5.522 -9.228 -5.777 1.00 0.00 H new ATOM 0 HB1 ALA B 26 3.176 -8.296 -5.747 1.00 0.00 H new ATOM 0 HB2 ALA B 26 3.210 -9.931 -6.448 1.00 0.00 H new ATOM 0 HB3 ALA B 26 2.658 -9.692 -4.773 1.00 0.00 H new ATOM 336 N ALA B 27 5.131 -9.220 -2.670 1.00 0.00 N ATOM 337 CA ALA B 27 5.231 -8.624 -1.360 1.00 0.00 C ATOM 338 C ALA B 27 6.462 -7.754 -1.195 1.00 0.00 C ATOM 339 O ALA B 27 6.445 -6.593 -1.567 1.00 0.00 O ATOM 340 CB ALA B 27 5.080 -9.711 -0.314 1.00 0.00 C ATOM 0 H ALA B 27 5.132 -10.238 -2.604 1.00 0.00 H new ATOM 0 HA ALA B 27 4.414 -7.917 -1.221 1.00 0.00 H new ATOM 0 HB1 ALA B 27 5.154 -9.272 0.681 1.00 0.00 H new ATOM 0 HB2 ALA B 27 4.108 -10.192 -0.427 1.00 0.00 H new ATOM 0 HB3 ALA B 27 5.869 -10.452 -0.443 1.00 0.00 H new ATOM 346 N ALA B 28 7.565 -8.301 -0.694 1.00 0.00 N ATOM 347 CA ALA B 28 8.795 -7.587 -0.448 1.00 0.00 C ATOM 348 C ALA B 28 9.588 -7.346 -1.710 1.00 0.00 C ATOM 349 O ALA B 28 10.801 -7.271 -1.705 1.00 0.00 O ATOM 350 CB ALA B 28 9.548 -8.345 0.630 1.00 0.00 C ATOM 0 H ALA B 28 7.620 -9.288 -0.442 1.00 0.00 H new ATOM 0 HA ALA B 28 8.590 -6.578 -0.090 1.00 0.00 H new ATOM 0 HB1 ALA B 28 10.487 -7.835 0.845 1.00 0.00 H new ATOM 0 HB2 ALA B 28 8.943 -8.387 1.535 1.00 0.00 H new ATOM 0 HB3 ALA B 28 9.756 -9.358 0.285 1.00 0.00 H new ATOM 356 N ALA B 29 8.879 -7.158 -2.810 1.00 0.00 N ATOM 357 CA ALA B 29 9.294 -6.655 -4.099 1.00 0.00 C ATOM 358 C ALA B 29 8.674 -5.309 -4.407 1.00 0.00 C ATOM 359 O ALA B 29 9.325 -4.461 -4.980 1.00 0.00 O ATOM 360 CB ALA B 29 8.958 -7.680 -5.163 1.00 0.00 C ATOM 0 H ALA B 29 7.884 -7.382 -2.816 1.00 0.00 H new ATOM 0 HA ALA B 29 10.372 -6.496 -4.083 1.00 0.00 H new ATOM 0 HB1 ALA B 29 9.269 -7.307 -6.139 1.00 0.00 H new ATOM 0 HB2 ALA B 29 9.480 -8.612 -4.948 1.00 0.00 H new ATOM 0 HB3 ALA B 29 7.883 -7.860 -5.169 1.00 0.00 H new ATOM 366 N ALA B 30 7.423 -5.110 -4.008 1.00 0.00 N ATOM 367 CA ALA B 30 6.731 -3.845 -4.081 1.00 0.00 C ATOM 368 C ALA B 30 6.832 -3.087 -2.776 1.00 0.00 C ATOM 369 O ALA B 30 7.301 -1.966 -2.729 1.00 0.00 O ATOM 370 CB ALA B 30 5.282 -4.086 -4.464 1.00 0.00 C ATOM 0 H ALA B 30 6.850 -5.855 -3.613 1.00 0.00 H new ATOM 0 HA ALA B 30 7.203 -3.228 -4.845 1.00 0.00 H new ATOM 0 HB1 ALA B 30 4.757 -3.132 -4.520 1.00 0.00 H new ATOM 0 HB2 ALA B 30 5.240 -4.581 -5.434 1.00 0.00 H new ATOM 0 HB3 ALA B 30 4.808 -4.718 -3.713 1.00 0.00 H new ATOM 376 N ILE B 31 6.393 -3.701 -1.682 1.00 0.00 N ATOM 377 CA ILE B 31 6.352 -3.146 -0.349 1.00 0.00 C ATOM 378 C ILE B 31 7.681 -2.579 0.111 1.00 0.00 C ATOM 379 O ILE B 31 7.681 -1.618 0.868 1.00 0.00 O ATOM 380 CB ILE B 31 5.875 -4.186 0.651 1.00 0.00 C ATOM 381 CG1 ILE B 31 4.559 -4.867 0.317 1.00 0.00 C ATOM 382 CG2 ILE B 31 5.788 -3.662 2.071 1.00 0.00 C ATOM 383 CD1 ILE B 31 3.416 -3.928 0.054 1.00 0.00 C ATOM 0 H ILE B 31 6.037 -4.656 -1.713 1.00 0.00 H new ATOM 0 HA ILE B 31 5.646 -2.316 -0.395 1.00 0.00 H new ATOM 0 HB ILE B 31 6.662 -4.936 0.575 1.00 0.00 H new ATOM 0 HG12 ILE B 31 4.704 -5.497 -0.561 1.00 0.00 H new ATOM 0 HG13 ILE B 31 4.287 -5.527 1.141 1.00 0.00 H new ATOM 0 HG21 ILE B 31 5.441 -4.457 2.731 1.00 0.00 H new ATOM 0 HG22 ILE B 31 6.772 -3.324 2.395 1.00 0.00 H new ATOM 0 HG23 ILE B 31 5.088 -2.827 2.109 1.00 0.00 H new ATOM 0 HD11 ILE B 31 2.519 -4.503 -0.176 1.00 0.00 H new ATOM 0 HD12 ILE B 31 3.238 -3.315 0.938 1.00 0.00 H new ATOM 0 HD13 ILE B 31 3.661 -3.284 -0.791 1.00 0.00 H new ATOM 395 N LYS B 32 8.796 -3.123 -0.370 1.00 0.00 N ATOM 396 CA LYS B 32 10.125 -2.675 -0.044 1.00 0.00 C ATOM 397 C LYS B 32 10.408 -1.236 -0.436 1.00 0.00 C ATOM 398 O LYS B 32 10.674 -0.356 0.366 1.00 0.00 O ATOM 399 CB LYS B 32 11.147 -3.635 -0.635 1.00 0.00 C ATOM 400 CG LYS B 32 11.218 -3.967 -2.116 1.00 0.00 C ATOM 401 CD LYS B 32 12.551 -4.449 -2.516 1.00 0.00 C ATOM 402 CE LYS B 32 12.653 -4.604 -4.001 1.00 0.00 C ATOM 403 NZ LYS B 32 13.954 -4.871 -4.481 1.00 0.00 N ATOM 0 H LYS B 32 8.787 -3.912 -1.017 1.00 0.00 H new ATOM 0 HA LYS B 32 10.206 -2.682 1.043 1.00 0.00 H new ATOM 0 HB2 LYS B 32 12.128 -3.249 -0.358 1.00 0.00 H new ATOM 0 HB3 LYS B 32 11.018 -4.583 -0.112 1.00 0.00 H new ATOM 0 HG2 LYS B 32 10.473 -4.727 -2.352 1.00 0.00 H new ATOM 0 HG3 LYS B 32 10.965 -3.081 -2.698 1.00 0.00 H new ATOM 0 HD2 LYS B 32 13.312 -3.750 -2.169 1.00 0.00 H new ATOM 0 HD3 LYS B 32 12.753 -5.406 -2.034 1.00 0.00 H new ATOM 0 HE2 LYS B 32 11.993 -5.413 -4.314 1.00 0.00 H new ATOM 0 HE3 LYS B 32 12.287 -3.692 -4.473 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 13.930 -4.963 -5.517 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 14.588 -4.090 -4.217 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 14.303 -5.757 -4.063 1.00 0.00 H new ATOM 417 N ALA B 33 10.292 -1.030 -1.745 1.00 0.00 N ATOM 418 CA ALA B 33 10.247 0.264 -2.384 1.00 0.00 C ATOM 419 C ALA B 33 9.164 1.140 -1.787 1.00 0.00 C ATOM 420 O ALA B 33 9.431 2.282 -1.431 1.00 0.00 O ATOM 421 CB ALA B 33 10.027 0.038 -3.870 1.00 0.00 C ATOM 0 H ALA B 33 10.224 -1.800 -2.411 1.00 0.00 H new ATOM 0 HA ALA B 33 11.186 0.793 -2.223 1.00 0.00 H new ATOM 0 HB1 ALA B 33 9.988 0.999 -4.382 1.00 0.00 H new ATOM 0 HB2 ALA B 33 10.848 -0.555 -4.273 1.00 0.00 H new ATOM 0 HB3 ALA B 33 9.087 -0.492 -4.022 1.00 0.00 H new ATOM 427 N ILE B 34 7.946 0.636 -1.622 1.00 0.00 N ATOM 428 CA ILE B 34 6.793 1.399 -1.205 1.00 0.00 C ATOM 429 C ILE B 34 6.942 1.866 0.230 1.00 0.00 C ATOM 430 O ILE B 34 6.697 3.037 0.483 1.00 0.00 O ATOM 431 CB ILE B 34 5.492 0.666 -1.472 1.00 0.00 C ATOM 432 CG1 ILE B 34 5.192 0.600 -2.956 1.00 0.00 C ATOM 433 CG2 ILE B 34 4.282 1.214 -0.747 1.00 0.00 C ATOM 434 CD1 ILE B 34 4.760 1.859 -3.669 1.00 0.00 C ATOM 0 H ILE B 34 7.735 -0.349 -1.782 1.00 0.00 H new ATOM 0 HA ILE B 34 6.743 2.298 -1.820 1.00 0.00 H new ATOM 0 HB ILE B 34 5.666 -0.332 -1.069 1.00 0.00 H new ATOM 0 HG12 ILE B 34 6.086 0.228 -3.457 1.00 0.00 H new ATOM 0 HG13 ILE B 34 4.411 -0.146 -3.102 1.00 0.00 H new ATOM 0 HG21 ILE B 34 3.404 0.621 -1.005 1.00 0.00 H new ATOM 0 HG22 ILE B 34 4.450 1.165 0.329 1.00 0.00 H new ATOM 0 HG23 ILE B 34 4.119 2.251 -1.042 1.00 0.00 H new ATOM 0 HD11 ILE B 34 4.586 1.639 -4.722 1.00 0.00 H new ATOM 0 HD12 ILE B 34 3.841 2.234 -3.220 1.00 0.00 H new ATOM 0 HD13 ILE B 34 5.541 2.614 -3.580 1.00 0.00 H new ATOM 446 N ALA B 35 7.441 1.068 1.169 1.00 0.00 N ATOM 447 CA ALA B 35 7.641 1.554 2.510 1.00 0.00 C ATOM 448 C ALA B 35 8.674 2.655 2.644 1.00 0.00 C ATOM 449 O ALA B 35 8.663 3.429 3.579 1.00 0.00 O ATOM 450 CB ALA B 35 7.897 0.368 3.430 1.00 0.00 C ATOM 0 H ALA B 35 7.708 0.095 1.019 1.00 0.00 H new ATOM 0 HA ALA B 35 6.724 2.057 2.818 1.00 0.00 H new ATOM 0 HB1 ALA B 35 8.050 0.724 4.449 1.00 0.00 H new ATOM 0 HB2 ALA B 35 7.039 -0.303 3.405 1.00 0.00 H new ATOM 0 HB3 ALA B 35 8.786 -0.167 3.095 1.00 0.00 H new ATOM 456 N ALA B 36 9.567 2.790 1.671 1.00 0.00 N ATOM 457 CA ALA B 36 10.549 3.842 1.532 1.00 0.00 C ATOM 458 C ALA B 36 10.021 5.057 0.796 1.00 0.00 C ATOM 459 O ALA B 36 10.264 6.185 1.174 1.00 0.00 O ATOM 460 CB ALA B 36 11.802 3.280 0.889 1.00 0.00 C ATOM 0 H ALA B 36 9.622 2.116 0.908 1.00 0.00 H new ATOM 0 HA ALA B 36 10.796 4.206 2.530 1.00 0.00 H new ATOM 0 HB1 ALA B 36 12.543 4.072 0.783 1.00 0.00 H new ATOM 0 HB2 ALA B 36 12.207 2.485 1.515 1.00 0.00 H new ATOM 0 HB3 ALA B 36 11.558 2.879 -0.094 1.00 0.00 H new ATOM 466 N ILE B 37 9.206 4.825 -0.221 1.00 0.00 N ATOM 467 CA ILE B 37 8.462 5.796 -0.991 1.00 0.00 C ATOM 468 C ILE B 37 7.438 6.472 -0.094 1.00 0.00 C ATOM 469 O ILE B 37 7.196 7.664 -0.227 1.00 0.00 O ATOM 470 CB ILE B 37 7.832 5.116 -2.198 1.00 0.00 C ATOM 471 CG1 ILE B 37 8.874 4.802 -3.260 1.00 0.00 C ATOM 472 CG2 ILE B 37 6.661 5.829 -2.846 1.00 0.00 C ATOM 473 CD1 ILE B 37 8.524 3.705 -4.254 1.00 0.00 C ATOM 0 H ILE B 37 9.038 3.875 -0.552 1.00 0.00 H new ATOM 0 HA ILE B 37 9.124 6.574 -1.372 1.00 0.00 H new ATOM 0 HB ILE B 37 7.413 4.205 -1.771 1.00 0.00 H new ATOM 0 HG12 ILE B 37 9.077 5.716 -3.819 1.00 0.00 H new ATOM 0 HG13 ILE B 37 9.800 4.523 -2.757 1.00 0.00 H new ATOM 0 HG21 ILE B 37 6.302 5.244 -3.693 1.00 0.00 H new ATOM 0 HG22 ILE B 37 5.858 5.945 -2.118 1.00 0.00 H new ATOM 0 HG23 ILE B 37 6.980 6.812 -3.193 1.00 0.00 H new ATOM 0 HD11 ILE B 37 9.346 3.576 -4.958 1.00 0.00 H new ATOM 0 HD12 ILE B 37 8.354 2.770 -3.720 1.00 0.00 H new ATOM 0 HD13 ILE B 37 7.621 3.981 -4.798 1.00 0.00 H new ATOM 485 N ILE B 38 6.854 5.756 0.863 1.00 0.00 N ATOM 486 CA ILE B 38 5.975 6.293 1.873 1.00 0.00 C ATOM 487 C ILE B 38 6.711 7.259 2.787 1.00 0.00 C ATOM 488 O ILE B 38 6.275 8.392 2.940 1.00 0.00 O ATOM 489 CB ILE B 38 5.256 5.190 2.637 1.00 0.00 C ATOM 490 CG1 ILE B 38 4.201 4.634 1.687 1.00 0.00 C ATOM 491 CG2 ILE B 38 4.651 5.597 3.974 1.00 0.00 C ATOM 492 CD1 ILE B 38 3.282 3.574 2.257 1.00 0.00 C ATOM 0 H ILE B 38 6.991 4.749 0.951 1.00 0.00 H new ATOM 0 HA ILE B 38 5.199 6.869 1.369 1.00 0.00 H new ATOM 0 HB ILE B 38 5.992 4.442 2.932 1.00 0.00 H new ATOM 0 HG12 ILE B 38 3.589 5.463 1.331 1.00 0.00 H new ATOM 0 HG13 ILE B 38 4.709 4.216 0.818 1.00 0.00 H new ATOM 0 HG21 ILE B 38 4.165 4.735 4.431 1.00 0.00 H new ATOM 0 HG22 ILE B 38 5.438 5.961 4.634 1.00 0.00 H new ATOM 0 HG23 ILE B 38 3.916 6.387 3.816 1.00 0.00 H new ATOM 0 HD11 ILE B 38 2.575 3.255 1.491 1.00 0.00 H new ATOM 0 HD12 ILE B 38 3.873 2.718 2.585 1.00 0.00 H new ATOM 0 HD13 ILE B 38 2.736 3.984 3.106 1.00 0.00 H new ATOM 504 N LYS B 39 7.843 6.821 3.334 1.00 0.00 N ATOM 505 CA LYS B 39 8.685 7.627 4.186 1.00 0.00 C ATOM 506 C LYS B 39 9.141 8.915 3.527 1.00 0.00 C ATOM 507 O LYS B 39 9.073 9.975 4.122 1.00 0.00 O ATOM 508 CB LYS B 39 9.818 6.779 4.736 1.00 0.00 C ATOM 509 CG LYS B 39 10.708 7.453 5.762 1.00 0.00 C ATOM 510 CD LYS B 39 10.063 7.811 7.075 1.00 0.00 C ATOM 511 CE LYS B 39 9.671 6.640 7.921 1.00 0.00 C ATOM 512 NZ LYS B 39 10.806 5.993 8.462 1.00 0.00 N ATOM 0 H LYS B 39 8.199 5.876 3.189 1.00 0.00 H new ATOM 0 HA LYS B 39 8.092 7.970 5.034 1.00 0.00 H new ATOM 0 HB2 LYS B 39 9.391 5.883 5.186 1.00 0.00 H new ATOM 0 HB3 LYS B 39 10.440 6.452 3.903 1.00 0.00 H new ATOM 0 HG2 LYS B 39 11.554 6.796 5.965 1.00 0.00 H new ATOM 0 HG3 LYS B 39 11.111 8.364 5.319 1.00 0.00 H new ATOM 0 HD2 LYS B 39 10.751 8.438 7.643 1.00 0.00 H new ATOM 0 HD3 LYS B 39 9.175 8.411 6.876 1.00 0.00 H new ATOM 0 HE2 LYS B 39 9.021 6.974 8.729 1.00 0.00 H new ATOM 0 HE3 LYS B 39 9.097 5.932 7.323 1.00 0.00 H new ATOM 0 HZ1 LYS B 39 10.502 5.285 9.161 1.00 0.00 H new ATOM 0 HZ2 LYS B 39 11.334 5.522 7.699 1.00 0.00 H new ATOM 0 HZ3 LYS B 39 11.418 6.695 8.924 1.00 0.00 H new ATOM 526 N ALA B 40 9.523 8.842 2.258 1.00 0.00 N ATOM 527 CA ALA B 40 9.891 9.937 1.393 1.00 0.00 C ATOM 528 C ALA B 40 8.702 10.790 0.998 1.00 0.00 C ATOM 529 O ALA B 40 8.827 11.990 0.826 1.00 0.00 O ATOM 530 CB ALA B 40 10.601 9.409 0.161 1.00 0.00 C ATOM 0 H ALA B 40 9.586 7.944 1.778 1.00 0.00 H new ATOM 0 HA ALA B 40 10.568 10.582 1.954 1.00 0.00 H new ATOM 0 HB1 ALA B 40 10.875 10.242 -0.486 1.00 0.00 H new ATOM 0 HB2 ALA B 40 11.501 8.872 0.462 1.00 0.00 H new ATOM 0 HB3 ALA B 40 9.938 8.733 -0.379 1.00 0.00 H new ATOM 536 N GLY B 41 7.543 10.175 0.891 1.00 0.00 N ATOM 537 CA GLY B 41 6.290 10.723 0.427 1.00 0.00 C ATOM 538 C GLY B 41 5.544 11.631 1.385 1.00 0.00 C ATOM 539 O GLY B 41 4.570 12.265 1.019 1.00 0.00 O ATOM 0 H GLY B 41 7.448 9.193 1.150 1.00 0.00 H new ATOM 0 HA2 GLY B 41 6.482 11.281 -0.490 1.00 0.00 H new ATOM 0 HA3 GLY B 41 5.633 9.894 0.164 1.00 0.00 H new ATOM 543 N GLY B 42 5.909 11.622 2.656 1.00 0.00 N ATOM 544 CA GLY B 42 5.321 12.468 3.671 1.00 0.00 C ATOM 545 C GLY B 42 3.921 12.107 4.067 1.00 0.00 C ATOM 546 O GLY B 42 3.195 12.917 4.600 1.00 0.00 O ATOM 0 H GLY B 42 6.641 11.009 3.016 1.00 0.00 H new ATOM 0 HA2 GLY B 42 5.953 12.437 4.559 1.00 0.00 H new ATOM 0 HA3 GLY B 42 5.327 13.497 3.312 1.00 0.00 H new ATOM 550 N TYR B 43 3.477 10.883 3.796 1.00 0.00 N ATOM 551 CA TYR B 43 2.221 10.292 4.202 1.00 0.00 C ATOM 552 C TYR B 43 2.027 10.262 5.704 1.00 0.00 C ATOM 553 O TYR B 43 0.929 10.418 6.162 1.00 0.00 O ATOM 554 CB TYR B 43 2.289 8.883 3.634 1.00 0.00 C ATOM 555 CG TYR B 43 1.805 8.659 2.231 1.00 0.00 C ATOM 556 CD1 TYR B 43 0.503 8.917 1.825 1.00 0.00 C ATOM 557 CD2 TYR B 43 2.651 7.983 1.361 1.00 0.00 C ATOM 558 CE1 TYR B 43 0.047 8.478 0.581 1.00 0.00 C ATOM 559 CE2 TYR B 43 2.201 7.487 0.137 1.00 0.00 C ATOM 560 CZ TYR B 43 0.891 7.763 -0.273 1.00 0.00 C ATOM 561 OH TYR B 43 0.455 7.324 -1.479 1.00 0.00 O ATOM 0 H TYR B 43 4.036 10.234 3.243 1.00 0.00 H new ATOM 0 HA TYR B 43 1.373 10.873 3.838 1.00 0.00 H new ATOM 0 HB2 TYR B 43 3.327 8.554 3.685 1.00 0.00 H new ATOM 0 HB3 TYR B 43 1.715 8.231 4.292 1.00 0.00 H new ATOM 0 HD1 TYR B 43 -0.163 9.462 2.477 1.00 0.00 H new ATOM 0 HD2 TYR B 43 3.684 7.838 1.639 1.00 0.00 H new ATOM 0 HE1 TYR B 43 -0.967 8.693 0.276 1.00 0.00 H new ATOM 0 HE2 TYR B 43 2.856 6.897 -0.487 1.00 0.00 H new ATOM 0 HH TYR B 43 0.894 7.835 -2.191 1.00 0.00 H new HETATM 571 N NH2 B 44 3.041 10.071 6.512 1.00 0.00 N TER 574 NH2 B 44 HETATM 575 C ACE C 45 -8.166 11.140 -3.865 1.00 0.00 C HETATM 576 O ACE C 45 -8.412 10.342 -2.983 1.00 0.00 O HETATM 577 CH3 ACE C 45 -9.113 11.289 -5.019 1.00 0.00 C HETATM 0 H1 ACE C 45 -9.482 12.314 -5.057 1.00 0.00 H new HETATM 0 H2 ACE C 45 -8.594 11.055 -5.948 1.00 0.00 H new HETATM 0 H3 ACE C 45 -9.953 10.606 -4.891 1.00 0.00 H new ATOM 581 N ALA C 46 -7.098 11.909 -3.901 1.00 0.00 N ATOM 582 CA ALA C 46 -5.945 11.799 -3.041 1.00 0.00 C ATOM 583 C ALA C 46 -6.227 11.905 -1.560 1.00 0.00 C ATOM 584 O ALA C 46 -5.410 11.446 -0.778 1.00 0.00 O ATOM 585 CB ALA C 46 -4.996 12.873 -3.511 1.00 0.00 C ATOM 0 H ALA C 46 -7.009 12.672 -4.572 1.00 0.00 H new ATOM 0 HA ALA C 46 -5.528 10.795 -3.125 1.00 0.00 H new ATOM 0 HB1 ALA C 46 -4.092 12.852 -2.902 1.00 0.00 H new ATOM 0 HB2 ALA C 46 -4.735 12.697 -4.555 1.00 0.00 H new ATOM 0 HB3 ALA C 46 -5.474 13.848 -3.416 1.00 0.00 H new ATOM 591 N LYS C 47 -7.363 12.436 -1.130 1.00 0.00 N ATOM 592 CA LYS C 47 -7.788 12.456 0.247 1.00 0.00 C ATOM 593 C LYS C 47 -8.062 11.102 0.869 1.00 0.00 C ATOM 594 O LYS C 47 -8.136 10.999 2.065 1.00 0.00 O ATOM 595 CB LYS C 47 -9.033 13.311 0.392 1.00 0.00 C ATOM 596 CG LYS C 47 -8.753 14.786 0.295 1.00 0.00 C ATOM 597 CD LYS C 47 -9.891 15.609 0.707 1.00 0.00 C ATOM 598 CE LYS C 47 -9.558 17.015 0.605 1.00 0.00 C ATOM 599 NZ LYS C 47 -10.525 17.881 1.075 1.00 0.00 N ATOM 0 H LYS C 47 -8.032 12.879 -1.760 1.00 0.00 H new ATOM 0 HA LYS C 47 -6.937 12.870 0.788 1.00 0.00 H new ATOM 0 HB2 LYS C 47 -9.750 13.032 -0.381 1.00 0.00 H new ATOM 0 HB3 LYS C 47 -9.502 13.099 1.353 1.00 0.00 H new ATOM 0 HG2 LYS C 47 -7.891 15.029 0.917 1.00 0.00 H new ATOM 0 HG3 LYS C 47 -8.485 15.033 -0.732 1.00 0.00 H new ATOM 0 HD2 LYS C 47 -10.755 15.387 0.081 1.00 0.00 H new ATOM 0 HD3 LYS C 47 -10.170 15.368 1.733 1.00 0.00 H new ATOM 0 HE2 LYS C 47 -8.634 17.194 1.154 1.00 0.00 H new ATOM 0 HE3 LYS C 47 -9.359 17.250 -0.440 1.00 0.00 H new ATOM 0 HZ1 LYS C 47 -10.198 18.862 0.961 1.00 0.00 H new ATOM 0 HZ2 LYS C 47 -11.404 17.744 0.537 1.00 0.00 H new ATOM 0 HZ3 LYS C 47 -10.702 17.690 2.082 1.00 0.00 H new ATOM 613 N ALA C 48 -8.172 10.054 0.064 1.00 0.00 N ATOM 614 CA ALA C 48 -8.178 8.674 0.460 1.00 0.00 C ATOM 615 C ALA C 48 -6.936 8.219 1.198 1.00 0.00 C ATOM 616 O ALA C 48 -6.887 7.085 1.638 1.00 0.00 O ATOM 617 CB ALA C 48 -8.407 7.856 -0.800 1.00 0.00 C ATOM 0 H ALA C 48 -8.265 10.165 -0.946 1.00 0.00 H new ATOM 0 HA ALA C 48 -8.974 8.529 1.190 1.00 0.00 H new ATOM 0 HB1 ALA C 48 -8.419 6.796 -0.548 1.00 0.00 H new ATOM 0 HB2 ALA C 48 -9.362 8.134 -1.246 1.00 0.00 H new ATOM 0 HB3 ALA C 48 -7.604 8.051 -1.511 1.00 0.00 H new ATOM 623 N ALA C 49 -5.946 9.089 1.322 1.00 0.00 N ATOM 624 CA ALA C 49 -4.603 8.781 1.745 1.00 0.00 C ATOM 625 C ALA C 49 -4.439 8.511 3.229 1.00 0.00 C ATOM 626 O ALA C 49 -4.191 7.394 3.655 1.00 0.00 O ATOM 627 CB ALA C 49 -3.659 9.855 1.231 1.00 0.00 C ATOM 0 H ALA C 49 -6.072 10.080 1.117 1.00 0.00 H new ATOM 0 HA ALA C 49 -4.342 7.822 1.298 1.00 0.00 H new ATOM 0 HB1 ALA C 49 -2.641 9.627 1.548 1.00 0.00 H new ATOM 0 HB2 ALA C 49 -3.701 9.886 0.142 1.00 0.00 H new ATOM 0 HB3 ALA C 49 -3.956 10.823 1.633 1.00 0.00 H new ATOM 633 N ALA C 50 -4.552 9.545 4.055 1.00 0.00 N ATOM 634 CA ALA C 50 -4.224 9.565 5.460 1.00 0.00 C ATOM 635 C ALA C 50 -5.159 8.799 6.369 1.00 0.00 C ATOM 636 O ALA C 50 -4.889 8.663 7.549 1.00 0.00 O ATOM 637 CB ALA C 50 -3.987 10.980 5.928 1.00 0.00 C ATOM 0 H ALA C 50 -4.899 10.448 3.731 1.00 0.00 H new ATOM 0 HA ALA C 50 -3.295 9.002 5.544 1.00 0.00 H new ATOM 0 HB1 ALA C 50 -3.741 10.976 6.990 1.00 0.00 H new ATOM 0 HB2 ALA C 50 -3.161 11.416 5.366 1.00 0.00 H new ATOM 0 HB3 ALA C 50 -4.888 11.572 5.767 1.00 0.00 H new ATOM 643 N ALA C 51 -6.221 8.205 5.833 1.00 0.00 N ATOM 644 CA ALA C 51 -6.927 7.134 6.482 1.00 0.00 C ATOM 645 C ALA C 51 -6.255 5.816 6.187 1.00 0.00 C ATOM 646 O ALA C 51 -5.901 5.110 7.089 1.00 0.00 O ATOM 647 CB ALA C 51 -8.380 7.166 6.087 1.00 0.00 C ATOM 0 H ALA C 51 -6.610 8.465 4.927 1.00 0.00 H new ATOM 0 HA ALA C 51 -6.893 7.262 7.564 1.00 0.00 H new ATOM 0 HB1 ALA C 51 -8.910 6.352 6.582 1.00 0.00 H new ATOM 0 HB2 ALA C 51 -8.817 8.118 6.386 1.00 0.00 H new ATOM 0 HB3 ALA C 51 -8.466 7.051 5.007 1.00 0.00 H new ATOM 653 N ALA C 52 -6.066 5.458 4.925 1.00 0.00 N ATOM 654 CA ALA C 52 -5.572 4.186 4.460 1.00 0.00 C ATOM 655 C ALA C 52 -4.168 3.868 4.938 1.00 0.00 C ATOM 656 O ALA C 52 -3.951 2.981 5.750 1.00 0.00 O ATOM 657 CB ALA C 52 -5.614 4.192 2.947 1.00 0.00 C ATOM 0 H ALA C 52 -6.269 6.095 4.155 1.00 0.00 H new ATOM 0 HA ALA C 52 -6.211 3.407 4.877 1.00 0.00 H new ATOM 0 HB1 ALA C 52 -5.245 3.239 2.569 1.00 0.00 H new ATOM 0 HB2 ALA C 52 -6.640 4.342 2.612 1.00 0.00 H new ATOM 0 HB3 ALA C 52 -4.987 5.000 2.569 1.00 0.00 H new ATOM 663 N ILE C 53 -3.173 4.585 4.438 1.00 0.00 N ATOM 664 CA ILE C 53 -1.781 4.227 4.563 1.00 0.00 C ATOM 665 C ILE C 53 -1.290 4.319 5.997 1.00 0.00 C ATOM 666 O ILE C 53 -0.282 3.738 6.366 1.00 0.00 O ATOM 667 CB ILE C 53 -0.887 4.942 3.565 1.00 0.00 C ATOM 668 CG1 ILE C 53 -0.185 6.170 4.117 1.00 0.00 C ATOM 669 CG2 ILE C 53 -1.534 5.346 2.250 1.00 0.00 C ATOM 670 CD1 ILE C 53 -1.128 7.243 4.619 1.00 0.00 C ATOM 0 H ILE C 53 -3.322 5.452 3.922 1.00 0.00 H new ATOM 0 HA ILE C 53 -1.710 3.174 4.292 1.00 0.00 H new ATOM 0 HB ILE C 53 -0.164 4.152 3.361 1.00 0.00 H new ATOM 0 HG12 ILE C 53 0.470 5.866 4.933 1.00 0.00 H new ATOM 0 HG13 ILE C 53 0.450 6.594 3.339 1.00 0.00 H new ATOM 0 HG21 ILE C 53 -0.798 5.847 1.621 1.00 0.00 H new ATOM 0 HG22 ILE C 53 -1.903 4.457 1.738 1.00 0.00 H new ATOM 0 HG23 ILE C 53 -2.365 6.023 2.446 1.00 0.00 H new ATOM 0 HD11 ILE C 53 -0.551 8.087 4.997 1.00 0.00 H new ATOM 0 HD12 ILE C 53 -1.767 7.577 3.802 1.00 0.00 H new ATOM 0 HD13 ILE C 53 -1.746 6.838 5.420 1.00 0.00 H new ATOM 682 N LYS C 54 -2.026 5.051 6.818 1.00 0.00 N ATOM 683 CA LYS C 54 -1.710 5.453 8.169 1.00 0.00 C ATOM 684 C LYS C 54 -1.948 4.300 9.129 1.00 0.00 C ATOM 685 O LYS C 54 -1.136 4.002 9.975 1.00 0.00 O ATOM 686 CB LYS C 54 -2.576 6.680 8.384 1.00 0.00 C ATOM 687 CG LYS C 54 -2.092 7.762 9.323 1.00 0.00 C ATOM 688 CD LYS C 54 -2.077 7.361 10.691 1.00 0.00 C ATOM 689 CE LYS C 54 -1.690 8.471 11.619 1.00 0.00 C ATOM 690 NZ LYS C 54 -2.649 9.492 11.832 1.00 0.00 N ATOM 0 H LYS C 54 -2.936 5.407 6.526 1.00 0.00 H new ATOM 0 HA LYS C 54 -0.665 5.705 8.347 1.00 0.00 H new ATOM 0 HB2 LYS C 54 -2.743 7.140 7.410 1.00 0.00 H new ATOM 0 HB3 LYS C 54 -3.546 6.339 8.746 1.00 0.00 H new ATOM 0 HG2 LYS C 54 -1.087 8.064 9.030 1.00 0.00 H new ATOM 0 HG3 LYS C 54 -2.732 8.638 9.216 1.00 0.00 H new ATOM 0 HD2 LYS C 54 -3.065 6.991 10.967 1.00 0.00 H new ATOM 0 HD3 LYS C 54 -1.380 6.532 10.814 1.00 0.00 H new ATOM 0 HE2 LYS C 54 -1.440 8.034 12.586 1.00 0.00 H new ATOM 0 HE3 LYS C 54 -0.781 8.934 11.234 1.00 0.00 H new ATOM 0 HZ1 LYS C 54 -2.270 10.190 12.504 1.00 0.00 H new ATOM 0 HZ2 LYS C 54 -2.863 9.961 10.929 1.00 0.00 H new ATOM 0 HZ3 LYS C 54 -3.519 9.075 12.220 1.00 0.00 H new ATOM 704 N ALA C 55 -3.033 3.564 8.920 1.00 0.00 N ATOM 705 CA ALA C 55 -3.217 2.242 9.472 1.00 0.00 C ATOM 706 C ALA C 55 -2.226 1.232 8.931 1.00 0.00 C ATOM 707 O ALA C 55 -1.686 0.418 9.668 1.00 0.00 O ATOM 708 CB ALA C 55 -4.631 1.803 9.168 1.00 0.00 C ATOM 0 H ALA C 55 -3.818 3.881 8.352 1.00 0.00 H new ATOM 0 HA ALA C 55 -3.041 2.290 10.547 1.00 0.00 H new ATOM 0 HB1 ALA C 55 -4.798 0.805 9.574 1.00 0.00 H new ATOM 0 HB2 ALA C 55 -5.334 2.502 9.621 1.00 0.00 H new ATOM 0 HB3 ALA C 55 -4.782 1.785 8.089 1.00 0.00 H new ATOM 714 N ILE C 56 -1.952 1.293 7.630 1.00 0.00 N ATOM 715 CA ILE C 56 -1.266 0.233 6.929 1.00 0.00 C ATOM 716 C ILE C 56 0.231 0.286 7.170 1.00 0.00 C ATOM 717 O ILE C 56 0.826 -0.774 7.318 1.00 0.00 O ATOM 718 CB ILE C 56 -1.700 0.176 5.474 1.00 0.00 C ATOM 719 CG1 ILE C 56 -3.151 -0.257 5.432 1.00 0.00 C ATOM 720 CG2 ILE C 56 -0.839 -0.741 4.641 1.00 0.00 C ATOM 721 CD1 ILE C 56 -3.800 -0.065 4.089 1.00 0.00 C ATOM 0 H ILE C 56 -2.204 2.085 7.039 1.00 0.00 H new ATOM 0 HA ILE C 56 -1.564 -0.731 7.342 1.00 0.00 H new ATOM 0 HB ILE C 56 -1.582 1.167 5.037 1.00 0.00 H new ATOM 0 HG12 ILE C 56 -3.215 -1.309 5.710 1.00 0.00 H new ATOM 0 HG13 ILE C 56 -3.711 0.305 6.180 1.00 0.00 H new ATOM 0 HG21 ILE C 56 -1.197 -0.741 3.612 1.00 0.00 H new ATOM 0 HG22 ILE C 56 0.194 -0.393 4.666 1.00 0.00 H new ATOM 0 HG23 ILE C 56 -0.891 -1.753 5.043 1.00 0.00 H new ATOM 0 HD11 ILE C 56 -4.837 -0.397 4.135 1.00 0.00 H new ATOM 0 HD12 ILE C 56 -3.768 0.990 3.817 1.00 0.00 H new ATOM 0 HD13 ILE C 56 -3.265 -0.649 3.340 1.00 0.00 H new ATOM 733 N ALA C 57 0.856 1.427 7.457 1.00 0.00 N ATOM 734 CA ALA C 57 2.212 1.510 7.942 1.00 0.00 C ATOM 735 C ALA C 57 2.437 0.749 9.235 1.00 0.00 C ATOM 736 O ALA C 57 3.506 0.193 9.444 1.00 0.00 O ATOM 737 CB ALA C 57 2.633 2.965 8.048 1.00 0.00 C ATOM 0 H ALA C 57 0.411 2.339 7.352 1.00 0.00 H new ATOM 0 HA ALA C 57 2.852 1.013 7.213 1.00 0.00 H new ATOM 0 HB1 ALA C 57 3.658 3.021 8.415 1.00 0.00 H new ATOM 0 HB2 ALA C 57 2.573 3.434 7.066 1.00 0.00 H new ATOM 0 HB3 ALA C 57 1.971 3.486 8.740 1.00 0.00 H new ATOM 743 N ALA C 58 1.424 0.610 10.085 1.00 0.00 N ATOM 744 CA ALA C 58 1.444 -0.179 11.296 1.00 0.00 C ATOM 745 C ALA C 58 1.200 -1.651 11.048 1.00 0.00 C ATOM 746 O ALA C 58 1.885 -2.498 11.597 1.00 0.00 O ATOM 747 CB ALA C 58 0.498 0.422 12.301 1.00 0.00 C ATOM 0 H ALA C 58 0.526 1.070 9.934 1.00 0.00 H new ATOM 0 HA ALA C 58 2.450 -0.144 11.714 1.00 0.00 H new ATOM 0 HB1 ALA C 58 0.512 -0.172 13.215 1.00 0.00 H new ATOM 0 HB2 ALA C 58 0.807 1.442 12.527 1.00 0.00 H new ATOM 0 HB3 ALA C 58 -0.512 0.431 11.890 1.00 0.00 H new ATOM 753 N ILE C 59 0.277 -1.964 10.143 1.00 0.00 N ATOM 754 CA ILE C 59 -0.054 -3.293 9.680 1.00 0.00 C ATOM 755 C ILE C 59 1.087 -3.896 8.884 1.00 0.00 C ATOM 756 O ILE C 59 1.282 -5.100 8.908 1.00 0.00 O ATOM 757 CB ILE C 59 -1.356 -3.256 8.895 1.00 0.00 C ATOM 758 CG1 ILE C 59 -2.539 -2.898 9.769 1.00 0.00 C ATOM 759 CG2 ILE C 59 -1.625 -4.524 8.106 1.00 0.00 C ATOM 760 CD1 ILE C 59 -3.701 -2.220 9.070 1.00 0.00 C ATOM 0 H ILE C 59 -0.290 -1.247 9.690 1.00 0.00 H new ATOM 0 HA ILE C 59 -0.204 -3.945 10.541 1.00 0.00 H new ATOM 0 HB ILE C 59 -1.225 -2.460 8.162 1.00 0.00 H new ATOM 0 HG12 ILE C 59 -2.906 -3.810 10.240 1.00 0.00 H new ATOM 0 HG13 ILE C 59 -2.190 -2.244 10.568 1.00 0.00 H new ATOM 0 HG21 ILE C 59 -2.570 -4.426 7.571 1.00 0.00 H new ATOM 0 HG22 ILE C 59 -0.818 -4.686 7.391 1.00 0.00 H new ATOM 0 HG23 ILE C 59 -1.680 -5.372 8.788 1.00 0.00 H new ATOM 0 HD11 ILE C 59 -4.489 -2.011 9.793 1.00 0.00 H new ATOM 0 HD12 ILE C 59 -3.362 -1.286 8.623 1.00 0.00 H new ATOM 0 HD13 ILE C 59 -4.089 -2.875 8.290 1.00 0.00 H new ATOM 772 N ILE C 60 1.919 -3.099 8.225 1.00 0.00 N ATOM 773 CA ILE C 60 3.125 -3.547 7.564 1.00 0.00 C ATOM 774 C ILE C 60 4.076 -4.151 8.575 1.00 0.00 C ATOM 775 O ILE C 60 4.529 -5.277 8.418 1.00 0.00 O ATOM 776 CB ILE C 60 3.696 -2.422 6.712 1.00 0.00 C ATOM 777 CG1 ILE C 60 2.875 -2.395 5.434 1.00 0.00 C ATOM 778 CG2 ILE C 60 5.183 -2.521 6.417 1.00 0.00 C ATOM 779 CD1 ILE C 60 3.279 -1.405 4.360 1.00 0.00 C ATOM 0 H ILE C 60 1.763 -2.095 8.137 1.00 0.00 H new ATOM 0 HA ILE C 60 2.914 -4.354 6.862 1.00 0.00 H new ATOM 0 HB ILE C 60 3.621 -1.492 7.275 1.00 0.00 H new ATOM 0 HG12 ILE C 60 2.901 -3.393 4.997 1.00 0.00 H new ATOM 0 HG13 ILE C 60 1.839 -2.192 5.705 1.00 0.00 H new ATOM 0 HG21 ILE C 60 5.490 -1.673 5.805 1.00 0.00 H new ATOM 0 HG22 ILE C 60 5.741 -2.513 7.353 1.00 0.00 H new ATOM 0 HG23 ILE C 60 5.387 -3.448 5.881 1.00 0.00 H new ATOM 0 HD11 ILE C 60 2.606 -1.498 3.508 1.00 0.00 H new ATOM 0 HD12 ILE C 60 3.222 -0.392 4.759 1.00 0.00 H new ATOM 0 HD13 ILE C 60 4.300 -1.612 4.040 1.00 0.00 H new ATOM 791 N LYS C 61 4.375 -3.399 9.631 1.00 0.00 N ATOM 792 CA LYS C 61 5.274 -3.764 10.701 1.00 0.00 C ATOM 793 C LYS C 61 4.776 -4.977 11.458 1.00 0.00 C ATOM 794 O LYS C 61 5.537 -5.889 11.754 1.00 0.00 O ATOM 795 CB LYS C 61 5.562 -2.570 11.592 1.00 0.00 C ATOM 796 CG LYS C 61 6.819 -2.769 12.392 1.00 0.00 C ATOM 797 CD LYS C 61 7.347 -1.487 12.985 1.00 0.00 C ATOM 798 CE LYS C 61 6.554 -0.913 14.067 1.00 0.00 C ATOM 799 NZ LYS C 61 7.087 0.278 14.594 1.00 0.00 N ATOM 0 H LYS C 61 3.971 -2.472 9.762 1.00 0.00 H new ATOM 0 HA LYS C 61 6.228 -4.063 10.267 1.00 0.00 H new ATOM 0 HB2 LYS C 61 5.657 -1.673 10.980 1.00 0.00 H new ATOM 0 HB3 LYS C 61 4.722 -2.408 12.267 1.00 0.00 H new ATOM 0 HG2 LYS C 61 6.624 -3.481 13.194 1.00 0.00 H new ATOM 0 HG3 LYS C 61 7.584 -3.210 11.753 1.00 0.00 H new ATOM 0 HD2 LYS C 61 8.355 -1.669 13.356 1.00 0.00 H new ATOM 0 HD3 LYS C 61 7.429 -0.747 12.189 1.00 0.00 H new ATOM 0 HE2 LYS C 61 5.546 -0.718 13.702 1.00 0.00 H new ATOM 0 HE3 LYS C 61 6.466 -1.646 14.869 1.00 0.00 H new ATOM 0 HZ1 LYS C 61 6.471 0.626 15.356 1.00 0.00 H new ATOM 0 HZ2 LYS C 61 8.038 0.095 14.973 1.00 0.00 H new ATOM 0 HZ3 LYS C 61 7.146 0.994 13.842 1.00 0.00 H new ATOM 813 N ALA C 62 3.476 -5.030 11.726 1.00 0.00 N ATOM 814 CA ALA C 62 2.793 -6.132 12.367 1.00 0.00 C ATOM 815 C ALA C 62 2.586 -7.332 11.466 1.00 0.00 C ATOM 816 O ALA C 62 2.518 -8.417 11.910 1.00 0.00 O ATOM 817 CB ALA C 62 1.482 -5.612 12.934 1.00 0.00 C ATOM 0 H ALA C 62 2.845 -4.265 11.488 1.00 0.00 H new ATOM 0 HA ALA C 62 3.428 -6.508 13.169 1.00 0.00 H new ATOM 0 HB1 ALA C 62 0.948 -6.427 13.423 1.00 0.00 H new ATOM 0 HB2 ALA C 62 1.686 -4.825 13.660 1.00 0.00 H new ATOM 0 HB3 ALA C 62 0.870 -5.211 12.126 1.00 0.00 H new ATOM 823 N GLY C 63 2.579 -7.151 10.179 1.00 0.00 N ATOM 824 CA GLY C 63 2.593 -8.128 9.117 1.00 0.00 C ATOM 825 C GLY C 63 3.950 -8.775 8.932 1.00 0.00 C ATOM 826 O GLY C 63 4.002 -9.935 8.660 1.00 0.00 O ATOM 0 H GLY C 63 2.561 -6.205 9.798 1.00 0.00 H new ATOM 0 HA2 GLY C 63 1.854 -8.900 9.330 1.00 0.00 H new ATOM 0 HA3 GLY C 63 2.294 -7.649 8.185 1.00 0.00 H new ATOM 830 N GLY C 64 5.039 -8.070 9.150 1.00 0.00 N ATOM 831 CA GLY C 64 6.372 -8.617 9.053 1.00 0.00 C ATOM 832 C GLY C 64 6.940 -8.557 7.650 1.00 0.00 C ATOM 833 O GLY C 64 7.809 -9.321 7.282 1.00 0.00 O ATOM 0 H GLY C 64 5.021 -7.082 9.404 1.00 0.00 H new ATOM 0 HA2 GLY C 64 7.031 -8.072 9.729 1.00 0.00 H new ATOM 0 HA3 GLY C 64 6.358 -9.654 9.388 1.00 0.00 H new ATOM 837 N TYR C 65 6.472 -7.623 6.831 1.00 0.00 N ATOM 838 CA TYR C 65 6.920 -7.379 5.485 1.00 0.00 C ATOM 839 C TYR C 65 8.381 -7.042 5.313 1.00 0.00 C ATOM 840 O TYR C 65 8.925 -7.145 4.263 1.00 0.00 O ATOM 841 CB TYR C 65 6.034 -6.268 4.949 1.00 0.00 C ATOM 842 CG TYR C 65 4.724 -6.637 4.309 1.00 0.00 C ATOM 843 CD1 TYR C 65 4.616 -7.471 3.206 1.00 0.00 C ATOM 844 CD2 TYR C 65 3.601 -5.962 4.752 1.00 0.00 C ATOM 845 CE1 TYR C 65 3.391 -7.604 2.545 1.00 0.00 C ATOM 846 CE2 TYR C 65 2.383 -6.060 4.075 1.00 0.00 C ATOM 847 CZ TYR C 65 2.278 -6.858 2.933 1.00 0.00 C ATOM 848 OH TYR C 65 1.087 -6.940 2.279 1.00 0.00 O ATOM 0 H TYR C 65 5.728 -6.985 7.114 1.00 0.00 H new ATOM 0 HA TYR C 65 6.833 -8.312 4.929 1.00 0.00 H new ATOM 0 HB2 TYR C 65 5.820 -5.589 5.774 1.00 0.00 H new ATOM 0 HB3 TYR C 65 6.614 -5.707 4.216 1.00 0.00 H new ATOM 0 HD1 TYR C 65 5.479 -8.018 2.857 1.00 0.00 H new ATOM 0 HD2 TYR C 65 3.667 -5.348 5.638 1.00 0.00 H new ATOM 0 HE1 TYR C 65 3.305 -8.296 1.720 1.00 0.00 H new ATOM 0 HE2 TYR C 65 1.521 -5.518 4.435 1.00 0.00 H new ATOM 0 HH TYR C 65 0.463 -7.484 2.803 1.00 0.00 H new HETATM 858 N NH2 C 66 9.054 -6.595 6.329 1.00 0.00 N TER 861 NH2 C 66 HETATM 862 C ACE D 67 4.457 -11.924 4.141 1.00 0.00 C HETATM 863 O ACE D 67 3.842 -11.356 3.314 1.00 0.00 O HETATM 864 CH3 ACE D 67 5.437 -11.177 4.951 1.00 0.00 C HETATM 0 H1 ACE D 67 5.162 -11.239 6.004 1.00 0.00 H new HETATM 0 H2 ACE D 67 6.429 -11.606 4.809 1.00 0.00 H new HETATM 0 H3 ACE D 67 5.446 -10.133 4.639 1.00 0.00 H new ATOM 868 N ALA D 68 4.284 -13.176 4.388 1.00 0.00 N ATOM 869 CA ALA D 68 3.445 -14.063 3.644 1.00 0.00 C ATOM 870 C ALA D 68 1.970 -13.846 3.834 1.00 0.00 C ATOM 871 O ALA D 68 1.235 -13.824 2.886 1.00 0.00 O ATOM 872 CB ALA D 68 3.809 -15.455 4.023 1.00 0.00 C ATOM 0 H ALA D 68 4.753 -13.642 5.165 1.00 0.00 H new ATOM 0 HA ALA D 68 3.621 -13.863 2.587 1.00 0.00 H new ATOM 0 HB1 ALA D 68 3.185 -16.157 3.471 1.00 0.00 H new ATOM 0 HB2 ALA D 68 4.857 -15.635 3.784 1.00 0.00 H new ATOM 0 HB3 ALA D 68 3.652 -15.594 5.093 1.00 0.00 H new ATOM 878 N LYS D 69 1.542 -13.724 5.067 1.00 0.00 N ATOM 879 CA LYS D 69 0.206 -13.509 5.547 1.00 0.00 C ATOM 880 C LYS D 69 -0.242 -12.081 5.396 1.00 0.00 C ATOM 881 O LYS D 69 -1.314 -11.800 4.894 1.00 0.00 O ATOM 882 CB LYS D 69 0.168 -13.856 7.015 1.00 0.00 C ATOM 883 CG LYS D 69 -1.195 -13.883 7.646 1.00 0.00 C ATOM 884 CD LYS D 69 -1.196 -14.251 9.083 1.00 0.00 C ATOM 885 CE LYS D 69 -2.531 -14.251 9.696 1.00 0.00 C ATOM 886 NZ LYS D 69 -2.546 -14.638 11.033 1.00 0.00 N ATOM 0 H LYS D 69 2.201 -13.780 5.844 1.00 0.00 H new ATOM 0 HA LYS D 69 -0.462 -14.135 4.955 1.00 0.00 H new ATOM 0 HB2 LYS D 69 0.629 -14.834 7.150 1.00 0.00 H new ATOM 0 HB3 LYS D 69 0.783 -13.136 7.555 1.00 0.00 H new ATOM 0 HG2 LYS D 69 -1.654 -12.900 7.534 1.00 0.00 H new ATOM 0 HG3 LYS D 69 -1.821 -14.590 7.102 1.00 0.00 H new ATOM 0 HD2 LYS D 69 -0.756 -15.242 9.195 1.00 0.00 H new ATOM 0 HD3 LYS D 69 -0.557 -13.555 9.627 1.00 0.00 H new ATOM 0 HE2 LYS D 69 -2.956 -13.250 9.614 1.00 0.00 H new ATOM 0 HE3 LYS D 69 -3.179 -14.919 9.129 1.00 0.00 H new ATOM 0 HZ1 LYS D 69 -3.522 -14.612 11.391 1.00 0.00 H new ATOM 0 HZ2 LYS D 69 -2.172 -15.604 11.119 1.00 0.00 H new ATOM 0 HZ3 LYS D 69 -1.956 -13.987 11.589 1.00 0.00 H new ATOM 900 N ALA D 70 0.685 -11.199 5.742 1.00 0.00 N ATOM 901 CA ALA D 70 0.629 -9.783 5.481 1.00 0.00 C ATOM 902 C ALA D 70 0.228 -9.505 4.045 1.00 0.00 C ATOM 903 O ALA D 70 -0.514 -8.577 3.758 1.00 0.00 O ATOM 904 CB ALA D 70 1.999 -9.214 5.777 1.00 0.00 C ATOM 0 H ALA D 70 1.534 -11.473 6.236 1.00 0.00 H new ATOM 0 HA ALA D 70 -0.125 -9.314 6.113 1.00 0.00 H new ATOM 0 HB1 ALA D 70 1.995 -8.140 5.590 1.00 0.00 H new ATOM 0 HB2 ALA D 70 2.252 -9.400 6.821 1.00 0.00 H new ATOM 0 HB3 ALA D 70 2.738 -9.692 5.134 1.00 0.00 H new ATOM 910 N ALA D 71 0.657 -10.362 3.123 1.00 0.00 N ATOM 911 CA ALA D 71 0.488 -10.229 1.695 1.00 0.00 C ATOM 912 C ALA D 71 -0.848 -10.715 1.171 1.00 0.00 C ATOM 913 O ALA D 71 -1.099 -10.628 -0.024 1.00 0.00 O ATOM 914 CB ALA D 71 1.688 -10.852 1.004 1.00 0.00 C ATOM 0 H ALA D 71 1.159 -11.213 3.376 1.00 0.00 H new ATOM 0 HA ALA D 71 0.455 -9.167 1.453 1.00 0.00 H new ATOM 0 HB1 ALA D 71 1.575 -10.759 -0.076 1.00 0.00 H new ATOM 0 HB2 ALA D 71 2.596 -10.338 1.319 1.00 0.00 H new ATOM 0 HB3 ALA D 71 1.756 -11.906 1.272 1.00 0.00 H new ATOM 920 N ALA D 72 -1.758 -11.097 2.054 1.00 0.00 N ATOM 921 CA ALA D 72 -3.177 -10.969 1.817 1.00 0.00 C ATOM 922 C ALA D 72 -3.803 -9.904 2.697 1.00 0.00 C ATOM 923 O ALA D 72 -4.375 -8.960 2.168 1.00 0.00 O ATOM 924 CB ALA D 72 -3.857 -12.320 1.946 1.00 0.00 C ATOM 0 H ALA D 72 -1.525 -11.506 2.959 1.00 0.00 H new ATOM 0 HA ALA D 72 -3.327 -10.628 0.793 1.00 0.00 H new ATOM 0 HB1 ALA D 72 -4.926 -12.208 1.765 1.00 0.00 H new ATOM 0 HB2 ALA D 72 -3.436 -13.011 1.216 1.00 0.00 H new ATOM 0 HB3 ALA D 72 -3.698 -12.713 2.950 1.00 0.00 H new ATOM 930 N ALA D 73 -3.671 -10.010 4.016 1.00 0.00 N ATOM 931 CA ALA D 73 -4.332 -9.230 5.029 1.00 0.00 C ATOM 932 C ALA D 73 -4.208 -7.731 4.830 1.00 0.00 C ATOM 933 O ALA D 73 -5.180 -7.014 5.018 1.00 0.00 O ATOM 934 CB ALA D 73 -3.801 -9.660 6.381 1.00 0.00 C ATOM 0 H ALA D 73 -3.045 -10.704 4.425 1.00 0.00 H new ATOM 0 HA ALA D 73 -5.402 -9.425 4.960 1.00 0.00 H new ATOM 0 HB1 ALA D 73 -4.289 -9.081 7.165 1.00 0.00 H new ATOM 0 HB2 ALA D 73 -4.006 -10.720 6.532 1.00 0.00 H new ATOM 0 HB3 ALA D 73 -2.725 -9.489 6.420 1.00 0.00 H new ATOM 940 N ALA D 74 -3.047 -7.233 4.428 1.00 0.00 N ATOM 941 CA ALA D 74 -2.824 -5.819 4.249 1.00 0.00 C ATOM 942 C ALA D 74 -3.279 -5.315 2.893 1.00 0.00 C ATOM 943 O ALA D 74 -3.842 -4.248 2.725 1.00 0.00 O ATOM 944 CB ALA D 74 -1.356 -5.527 4.476 1.00 0.00 C ATOM 0 H ALA D 74 -2.232 -7.809 4.217 1.00 0.00 H new ATOM 0 HA ALA D 74 -3.431 -5.283 4.979 1.00 0.00 H new ATOM 0 HB1 ALA D 74 -1.172 -4.461 4.344 1.00 0.00 H new ATOM 0 HB2 ALA D 74 -1.079 -5.820 5.489 1.00 0.00 H new ATOM 0 HB3 ALA D 74 -0.758 -6.090 3.759 1.00 0.00 H new ATOM 950 N ILE D 75 -3.078 -6.160 1.885 1.00 0.00 N ATOM 951 CA ILE D 75 -3.515 -5.908 0.530 1.00 0.00 C ATOM 952 C ILE D 75 -5.028 -5.886 0.437 1.00 0.00 C ATOM 953 O ILE D 75 -5.614 -5.028 -0.205 1.00 0.00 O ATOM 954 CB ILE D 75 -2.988 -6.993 -0.398 1.00 0.00 C ATOM 955 CG1 ILE D 75 -1.479 -7.182 -0.331 1.00 0.00 C ATOM 956 CG2 ILE D 75 -3.449 -6.734 -1.818 1.00 0.00 C ATOM 957 CD1 ILE D 75 -0.679 -5.928 -0.562 1.00 0.00 C ATOM 0 H ILE D 75 -2.598 -7.053 1.997 1.00 0.00 H new ATOM 0 HA ILE D 75 -3.125 -4.934 0.233 1.00 0.00 H new ATOM 0 HB ILE D 75 -3.410 -7.935 -0.047 1.00 0.00 H new ATOM 0 HG12 ILE D 75 -1.220 -7.587 0.647 1.00 0.00 H new ATOM 0 HG13 ILE D 75 -1.186 -7.926 -1.072 1.00 0.00 H new ATOM 0 HG21 ILE D 75 -3.066 -7.516 -2.473 1.00 0.00 H new ATOM 0 HG22 ILE D 75 -4.538 -6.733 -1.852 1.00 0.00 H new ATOM 0 HG23 ILE D 75 -3.074 -5.766 -2.151 1.00 0.00 H new ATOM 0 HD11 ILE D 75 0.385 -6.158 -0.496 1.00 0.00 H new ATOM 0 HD12 ILE D 75 -0.903 -5.530 -1.552 1.00 0.00 H new ATOM 0 HD13 ILE D 75 -0.938 -5.187 0.194 1.00 0.00 H new ATOM 969 N LYS D 76 -5.688 -6.828 1.107 1.00 0.00 N ATOM 970 CA LYS D 76 -7.124 -6.982 1.101 1.00 0.00 C ATOM 971 C LYS D 76 -7.827 -5.763 1.676 1.00 0.00 C ATOM 972 O LYS D 76 -8.879 -5.379 1.178 1.00 0.00 O ATOM 973 CB LYS D 76 -7.477 -8.227 1.894 1.00 0.00 C ATOM 974 CG LYS D 76 -7.439 -9.468 1.019 1.00 0.00 C ATOM 975 CD LYS D 76 -7.647 -10.735 1.812 1.00 0.00 C ATOM 976 CE LYS D 76 -9.002 -10.785 2.448 1.00 0.00 C ATOM 977 NZ LYS D 76 -9.189 -12.009 3.175 1.00 0.00 N ATOM 0 H LYS D 76 -5.214 -7.523 1.685 1.00 0.00 H new ATOM 0 HA LYS D 76 -7.465 -7.082 0.071 1.00 0.00 H new ATOM 0 HB2 LYS D 76 -6.779 -8.343 2.723 1.00 0.00 H new ATOM 0 HB3 LYS D 76 -8.471 -8.115 2.327 1.00 0.00 H new ATOM 0 HG2 LYS D 76 -8.209 -9.392 0.251 1.00 0.00 H new ATOM 0 HG3 LYS D 76 -6.479 -9.518 0.504 1.00 0.00 H new ATOM 0 HD2 LYS D 76 -7.523 -11.597 1.157 1.00 0.00 H new ATOM 0 HD3 LYS D 76 -6.881 -10.809 2.584 1.00 0.00 H new ATOM 0 HE2 LYS D 76 -9.122 -9.937 3.122 1.00 0.00 H new ATOM 0 HE3 LYS D 76 -9.771 -10.694 1.681 1.00 0.00 H new ATOM 0 HZ1 LYS D 76 -10.136 -12.016 3.605 1.00 0.00 H new ATOM 0 HZ2 LYS D 76 -9.097 -12.816 2.525 1.00 0.00 H new ATOM 0 HZ3 LYS D 76 -8.469 -12.083 3.922 1.00 0.00 H new ATOM 991 N ALA D 77 -7.221 -5.124 2.672 1.00 0.00 N ATOM 992 CA ALA D 77 -7.574 -3.799 3.126 1.00 0.00 C ATOM 993 C ALA D 77 -7.389 -2.812 1.987 1.00 0.00 C ATOM 994 O ALA D 77 -8.356 -2.214 1.530 1.00 0.00 O ATOM 995 CB ALA D 77 -6.771 -3.475 4.371 1.00 0.00 C ATOM 0 H ALA D 77 -6.448 -5.534 3.196 1.00 0.00 H new ATOM 0 HA ALA D 77 -8.624 -3.736 3.411 1.00 0.00 H new ATOM 0 HB1 ALA D 77 -7.031 -2.476 4.722 1.00 0.00 H new ATOM 0 HB2 ALA D 77 -6.998 -4.203 5.150 1.00 0.00 H new ATOM 0 HB3 ALA D 77 -5.707 -3.513 4.138 1.00 0.00 H new ATOM 1001 N ILE D 78 -6.182 -2.661 1.448 1.00 0.00 N ATOM 1002 CA ILE D 78 -5.825 -1.618 0.512 1.00 0.00 C ATOM 1003 C ILE D 78 -6.629 -1.716 -0.770 1.00 0.00 C ATOM 1004 O ILE D 78 -7.244 -0.734 -1.164 1.00 0.00 O ATOM 1005 CB ILE D 78 -4.321 -1.449 0.373 1.00 0.00 C ATOM 1006 CG1 ILE D 78 -4.033 0.043 0.368 1.00 0.00 C ATOM 1007 CG2 ILE D 78 -3.753 -2.133 -0.861 1.00 0.00 C ATOM 1008 CD1 ILE D 78 -2.594 0.442 0.270 1.00 0.00 C ATOM 0 H ILE D 78 -5.405 -3.286 1.663 1.00 0.00 H new ATOM 0 HA ILE D 78 -6.128 -0.656 0.925 1.00 0.00 H new ATOM 0 HB ILE D 78 -3.826 -1.938 1.212 1.00 0.00 H new ATOM 0 HG12 ILE D 78 -4.570 0.492 -0.468 1.00 0.00 H new ATOM 0 HG13 ILE D 78 -4.446 0.474 1.280 1.00 0.00 H new ATOM 0 HG21 ILE D 78 -2.675 -1.974 -0.901 1.00 0.00 H new ATOM 0 HG22 ILE D 78 -3.961 -3.202 -0.813 1.00 0.00 H new ATOM 0 HG23 ILE D 78 -4.215 -1.714 -1.755 1.00 0.00 H new ATOM 0 HD11 ILE D 78 -2.517 1.529 0.276 1.00 0.00 H new ATOM 0 HD12 ILE D 78 -2.045 0.035 1.119 1.00 0.00 H new ATOM 0 HD13 ILE D 78 -2.171 0.053 -0.656 1.00 0.00 H new ATOM 1020 N ALA D 79 -6.781 -2.897 -1.361 1.00 0.00 N ATOM 1021 CA ALA D 79 -7.483 -3.000 -2.621 1.00 0.00 C ATOM 1022 C ALA D 79 -8.972 -2.745 -2.534 1.00 0.00 C ATOM 1023 O ALA D 79 -9.600 -2.517 -3.542 1.00 0.00 O ATOM 1024 CB ALA D 79 -7.168 -4.353 -3.227 1.00 0.00 C ATOM 0 H ALA D 79 -6.431 -3.780 -0.989 1.00 0.00 H new ATOM 0 HA ALA D 79 -7.127 -2.200 -3.269 1.00 0.00 H new ATOM 0 HB1 ALA D 79 -7.687 -4.455 -4.180 1.00 0.00 H new ATOM 0 HB2 ALA D 79 -6.093 -4.438 -3.388 1.00 0.00 H new ATOM 0 HB3 ALA D 79 -7.497 -5.141 -2.549 1.00 0.00 H new ATOM 1030 N ALA D 80 -9.555 -2.791 -1.348 1.00 0.00 N ATOM 1031 CA ALA D 80 -10.914 -2.395 -1.076 1.00 0.00 C ATOM 1032 C ALA D 80 -10.992 -0.913 -0.781 1.00 0.00 C ATOM 1033 O ALA D 80 -11.819 -0.208 -1.288 1.00 0.00 O ATOM 1034 CB ALA D 80 -11.468 -3.242 0.050 1.00 0.00 C ATOM 0 H ALA D 80 -9.066 -3.121 -0.516 1.00 0.00 H new ATOM 0 HA ALA D 80 -11.532 -2.566 -1.958 1.00 0.00 H new ATOM 0 HB1 ALA D 80 -12.496 -2.944 0.258 1.00 0.00 H new ATOM 0 HB2 ALA D 80 -11.446 -4.292 -0.240 1.00 0.00 H new ATOM 0 HB3 ALA D 80 -10.862 -3.100 0.944 1.00 0.00 H new ATOM 1040 N ILE D 81 -10.068 -0.415 0.025 1.00 0.00 N ATOM 1041 CA ILE D 81 -9.925 0.964 0.432 1.00 0.00 C ATOM 1042 C ILE D 81 -9.600 1.852 -0.756 1.00 0.00 C ATOM 1043 O ILE D 81 -10.088 2.972 -0.822 1.00 0.00 O ATOM 1044 CB ILE D 81 -8.913 1.057 1.559 1.00 0.00 C ATOM 1045 CG1 ILE D 81 -9.456 0.458 2.845 1.00 0.00 C ATOM 1046 CG2 ILE D 81 -8.534 2.505 1.836 1.00 0.00 C ATOM 1047 CD1 ILE D 81 -8.406 0.092 3.874 1.00 0.00 C ATOM 0 H ILE D 81 -9.350 -1.010 0.438 1.00 0.00 H new ATOM 0 HA ILE D 81 -10.872 1.337 0.821 1.00 0.00 H new ATOM 0 HB ILE D 81 -8.036 0.496 1.236 1.00 0.00 H new ATOM 0 HG12 ILE D 81 -10.151 1.168 3.294 1.00 0.00 H new ATOM 0 HG13 ILE D 81 -10.029 -0.436 2.598 1.00 0.00 H new ATOM 0 HG21 ILE D 81 -7.808 2.542 2.648 1.00 0.00 H new ATOM 0 HG22 ILE D 81 -8.098 2.945 0.939 1.00 0.00 H new ATOM 0 HG23 ILE D 81 -9.424 3.066 2.120 1.00 0.00 H new ATOM 0 HD11 ILE D 81 -8.891 -0.327 4.756 1.00 0.00 H new ATOM 0 HD12 ILE D 81 -7.723 -0.645 3.451 1.00 0.00 H new ATOM 0 HD13 ILE D 81 -7.847 0.984 4.157 1.00 0.00 H new ATOM 1059 N ILE D 82 -8.850 1.381 -1.750 1.00 0.00 N ATOM 1060 CA ILE D 82 -8.517 2.097 -2.958 1.00 0.00 C ATOM 1061 C ILE D 82 -9.767 2.426 -3.751 1.00 0.00 C ATOM 1062 O ILE D 82 -9.967 3.571 -4.130 1.00 0.00 O ATOM 1063 CB ILE D 82 -7.508 1.307 -3.774 1.00 0.00 C ATOM 1064 CG1 ILE D 82 -6.142 1.379 -3.106 1.00 0.00 C ATOM 1065 CG2 ILE D 82 -7.365 1.798 -5.205 1.00 0.00 C ATOM 1066 CD1 ILE D 82 -5.069 0.493 -3.689 1.00 0.00 C ATOM 0 H ILE D 82 -8.444 0.446 -1.724 1.00 0.00 H new ATOM 0 HA ILE D 82 -8.052 3.047 -2.693 1.00 0.00 H new ATOM 0 HB ILE D 82 -7.884 0.285 -3.813 1.00 0.00 H new ATOM 0 HG12 ILE D 82 -5.794 2.411 -3.147 1.00 0.00 H new ATOM 0 HG13 ILE D 82 -6.262 1.125 -2.053 1.00 0.00 H new ATOM 0 HG21 ILE D 82 -6.628 1.188 -5.727 1.00 0.00 H new ATOM 0 HG22 ILE D 82 -8.326 1.721 -5.714 1.00 0.00 H new ATOM 0 HG23 ILE D 82 -7.038 2.838 -5.202 1.00 0.00 H new ATOM 0 HD11 ILE D 82 -4.142 0.630 -3.132 1.00 0.00 H new ATOM 0 HD12 ILE D 82 -5.382 -0.549 -3.623 1.00 0.00 H new ATOM 0 HD13 ILE D 82 -4.907 0.757 -4.734 1.00 0.00 H new ATOM 1078 N LYS D 83 -10.614 1.426 -3.943 1.00 0.00 N ATOM 1079 CA LYS D 83 -11.906 1.505 -4.572 1.00 0.00 C ATOM 1080 C LYS D 83 -12.883 2.351 -3.782 1.00 0.00 C ATOM 1081 O LYS D 83 -13.585 3.146 -4.375 1.00 0.00 O ATOM 1082 CB LYS D 83 -12.422 0.095 -4.787 1.00 0.00 C ATOM 1083 CG LYS D 83 -11.806 -0.519 -6.025 1.00 0.00 C ATOM 1084 CD LYS D 83 -12.512 -1.724 -6.494 1.00 0.00 C ATOM 1085 CE LYS D 83 -12.395 -2.878 -5.835 1.00 0.00 C ATOM 1086 NZ LYS D 83 -13.167 -3.952 -6.219 1.00 0.00 N ATOM 0 H LYS D 83 -10.393 0.477 -3.640 1.00 0.00 H new ATOM 0 HA LYS D 83 -11.803 2.007 -5.534 1.00 0.00 H new ATOM 0 HB2 LYS D 83 -12.190 -0.519 -3.917 1.00 0.00 H new ATOM 0 HB3 LYS D 83 -13.507 0.111 -4.885 1.00 0.00 H new ATOM 0 HG2 LYS D 83 -11.798 0.223 -6.824 1.00 0.00 H new ATOM 0 HG3 LYS D 83 -10.767 -0.774 -5.817 1.00 0.00 H new ATOM 0 HD2 LYS D 83 -13.574 -1.481 -6.530 1.00 0.00 H new ATOM 0 HD3 LYS D 83 -12.191 -1.906 -7.520 1.00 0.00 H new ATOM 0 HE2 LYS D 83 -11.351 -3.186 -5.895 1.00 0.00 H new ATOM 0 HE3 LYS D 83 -12.608 -2.679 -4.785 1.00 0.00 H new ATOM 0 HZ1 LYS D 83 -12.956 -4.767 -5.608 1.00 0.00 H new ATOM 0 HZ2 LYS D 83 -14.173 -3.705 -6.132 1.00 0.00 H new ATOM 0 HZ3 LYS D 83 -12.955 -4.196 -7.208 1.00 0.00 H new ATOM 1100 N ALA D 84 -12.991 2.173 -2.478 1.00 0.00 N ATOM 1101 CA ALA D 84 -13.955 2.793 -1.608 1.00 0.00 C ATOM 1102 C ALA D 84 -13.624 4.233 -1.286 1.00 0.00 C ATOM 1103 O ALA D 84 -14.473 5.090 -1.278 1.00 0.00 O ATOM 1104 CB ALA D 84 -14.075 1.986 -0.349 1.00 0.00 C ATOM 0 H ALA D 84 -12.363 1.549 -1.972 1.00 0.00 H new ATOM 0 HA ALA D 84 -14.909 2.813 -2.136 1.00 0.00 H new ATOM 0 HB1 ALA D 84 -14.804 2.452 0.314 1.00 0.00 H new ATOM 0 HB2 ALA D 84 -14.401 0.975 -0.594 1.00 0.00 H new ATOM 0 HB3 ALA D 84 -13.107 1.944 0.150 1.00 0.00 H new ATOM 1110 N GLY D 85 -12.340 4.488 -1.087 1.00 0.00 N ATOM 1111 CA GLY D 85 -11.746 5.798 -0.986 1.00 0.00 C ATOM 1112 C GLY D 85 -11.768 6.559 -2.295 1.00 0.00 C ATOM 1113 O GLY D 85 -11.937 7.759 -2.317 1.00 0.00 O ATOM 0 H GLY D 85 -11.653 3.741 -0.987 1.00 0.00 H new ATOM 0 HA2 GLY D 85 -12.277 6.374 -0.228 1.00 0.00 H new ATOM 0 HA3 GLY D 85 -10.715 5.698 -0.647 1.00 0.00 H new ATOM 1117 N GLY D 86 -11.621 5.870 -3.411 1.00 0.00 N ATOM 1118 CA GLY D 86 -11.644 6.394 -4.753 1.00 0.00 C ATOM 1119 C GLY D 86 -10.388 7.155 -5.107 1.00 0.00 C ATOM 1120 O GLY D 86 -10.503 8.287 -5.517 1.00 0.00 O ATOM 0 H GLY D 86 -11.473 4.861 -3.397 1.00 0.00 H new ATOM 0 HA2 GLY D 86 -11.776 5.572 -5.457 1.00 0.00 H new ATOM 0 HA3 GLY D 86 -12.506 7.052 -4.866 1.00 0.00 H new ATOM 1124 N TYR D 87 -9.209 6.580 -4.916 1.00 0.00 N ATOM 1125 CA TYR D 87 -7.951 7.160 -5.322 1.00 0.00 C ATOM 1126 C TYR D 87 -7.918 7.450 -6.801 1.00 0.00 C ATOM 1127 O TYR D 87 -8.558 6.805 -7.593 1.00 0.00 O ATOM 1128 CB TYR D 87 -6.814 6.237 -4.921 1.00 0.00 C ATOM 1129 CG TYR D 87 -6.321 6.232 -3.496 1.00 0.00 C ATOM 1130 CD1 TYR D 87 -5.626 7.288 -2.908 1.00 0.00 C ATOM 1131 CD2 TYR D 87 -6.392 5.016 -2.833 1.00 0.00 C ATOM 1132 CE1 TYR D 87 -5.087 7.124 -1.631 1.00 0.00 C ATOM 1133 CE2 TYR D 87 -5.863 4.826 -1.554 1.00 0.00 C ATOM 1134 CZ TYR D 87 -5.210 5.906 -0.949 1.00 0.00 C ATOM 1135 OH TYR D 87 -4.798 5.779 0.340 1.00 0.00 O ATOM 0 H TYR D 87 -9.106 5.673 -4.461 1.00 0.00 H new ATOM 0 HA TYR D 87 -7.833 8.116 -4.812 1.00 0.00 H new ATOM 0 HB2 TYR D 87 -7.120 5.219 -5.163 1.00 0.00 H new ATOM 0 HB3 TYR D 87 -5.962 6.474 -5.559 1.00 0.00 H new ATOM 0 HD1 TYR D 87 -5.506 8.223 -3.435 1.00 0.00 H new ATOM 0 HD2 TYR D 87 -6.875 4.184 -3.324 1.00 0.00 H new ATOM 0 HE1 TYR D 87 -4.568 7.947 -1.162 1.00 0.00 H new ATOM 0 HE2 TYR D 87 -5.955 3.876 -1.048 1.00 0.00 H new ATOM 0 HH TYR D 87 -5.487 6.133 0.940 1.00 0.00 H new HETATM 1145 N NH2 D 88 -7.184 8.441 -7.239 1.00 0.00 N TER 1148 NH2 D 88