USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 587 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 TYR OH : rot 63:sc= 0.458 USER MOD Single : B 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 43 TYR OH : rot 101:sc= -0.274 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= 0.365 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 84:sc= 0.972 USER MOD ----------------------------------------------------------------- ATOM 17 N LYS A 3 2.202 14.411 -2.116 1.00 0.00 N ATOM 18 CA LYS A 3 3.092 13.881 -3.108 1.00 0.00 C ATOM 19 C LYS A 3 2.991 12.378 -3.259 1.00 0.00 C ATOM 20 O LYS A 3 2.752 11.880 -4.343 1.00 0.00 O ATOM 21 CB LYS A 3 4.504 14.194 -2.726 1.00 0.00 C ATOM 22 CG LYS A 3 4.895 15.640 -2.805 1.00 0.00 C ATOM 23 CD LYS A 3 5.137 16.132 -4.067 1.00 0.00 C ATOM 24 CE LYS A 3 5.747 17.480 -4.192 1.00 0.00 C ATOM 25 NZ LYS A 3 7.088 17.521 -4.067 1.00 0.00 N ATOM 0 HA LYS A 3 2.806 14.343 -4.053 1.00 0.00 H new ATOM 0 HB2 LYS A 3 4.670 13.847 -1.706 1.00 0.00 H new ATOM 0 HB3 LYS A 3 5.171 13.621 -3.370 1.00 0.00 H new ATOM 0 HG2 LYS A 3 4.103 16.235 -2.350 1.00 0.00 H new ATOM 0 HG3 LYS A 3 5.791 15.787 -2.201 1.00 0.00 H new ATOM 0 HD2 LYS A 3 5.787 15.424 -4.581 1.00 0.00 H new ATOM 0 HD3 LYS A 3 4.190 16.144 -4.606 1.00 0.00 H new ATOM 0 HE2 LYS A 3 5.477 17.894 -5.163 1.00 0.00 H new ATOM 0 HE3 LYS A 3 5.308 18.130 -3.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 7.416 18.502 -4.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 7.361 17.161 -3.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 7.524 16.932 -4.805 1.00 0.00 H new ATOM 39 N ALA A 4 3.094 11.668 -2.142 1.00 0.00 N ATOM 40 CA ALA A 4 2.974 10.234 -2.033 1.00 0.00 C ATOM 41 C ALA A 4 1.721 9.685 -2.681 1.00 0.00 C ATOM 42 O ALA A 4 1.704 8.556 -3.152 1.00 0.00 O ATOM 43 CB ALA A 4 3.002 9.870 -0.562 1.00 0.00 C ATOM 0 H ALA A 4 3.274 12.111 -1.241 1.00 0.00 H new ATOM 0 HA ALA A 4 3.809 9.784 -2.570 1.00 0.00 H new ATOM 0 HB1 ALA A 4 2.913 8.789 -0.453 1.00 0.00 H new ATOM 0 HB2 ALA A 4 3.943 10.203 -0.123 1.00 0.00 H new ATOM 0 HB3 ALA A 4 2.171 10.356 -0.051 1.00 0.00 H new ATOM 49 N ALA A 5 0.663 10.484 -2.731 1.00 0.00 N ATOM 50 CA ALA A 5 -0.701 10.058 -2.927 1.00 0.00 C ATOM 51 C ALA A 5 -1.171 9.936 -4.354 1.00 0.00 C ATOM 52 O ALA A 5 -2.316 9.623 -4.606 1.00 0.00 O ATOM 53 CB ALA A 5 -1.633 10.913 -2.086 1.00 0.00 C ATOM 0 H ALA A 5 0.746 11.496 -2.630 1.00 0.00 H new ATOM 0 HA ALA A 5 -0.728 9.023 -2.585 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -2.662 10.587 -2.238 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -1.371 10.809 -1.033 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -1.536 11.957 -2.383 1.00 0.00 H new ATOM 59 N ALA A 6 -0.266 10.053 -5.311 1.00 0.00 N ATOM 60 CA ALA A 6 -0.337 9.393 -6.586 1.00 0.00 C ATOM 61 C ALA A 6 0.766 8.361 -6.733 1.00 0.00 C ATOM 62 O ALA A 6 0.476 7.181 -6.854 1.00 0.00 O ATOM 63 CB ALA A 6 -0.353 10.439 -7.678 1.00 0.00 C ATOM 0 H ALA A 6 0.566 10.634 -5.209 1.00 0.00 H new ATOM 0 HA ALA A 6 -1.263 8.824 -6.668 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -0.407 9.949 -8.650 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -1.221 11.086 -7.549 1.00 0.00 H new ATOM 0 HB3 ALA A 6 0.557 11.037 -7.623 1.00 0.00 H new ATOM 69 N ALA A 7 2.029 8.764 -6.624 1.00 0.00 N ATOM 70 CA ALA A 7 3.221 7.999 -6.894 1.00 0.00 C ATOM 71 C ALA A 7 3.225 6.642 -6.217 1.00 0.00 C ATOM 72 O ALA A 7 3.566 5.636 -6.810 1.00 0.00 O ATOM 73 CB ALA A 7 4.437 8.805 -6.480 1.00 0.00 C ATOM 0 H ALA A 7 2.252 9.712 -6.319 1.00 0.00 H new ATOM 0 HA ALA A 7 3.247 7.801 -7.966 1.00 0.00 H new ATOM 0 HB1 ALA A 7 5.341 8.230 -6.682 1.00 0.00 H new ATOM 0 HB2 ALA A 7 4.465 9.737 -7.045 1.00 0.00 H new ATOM 0 HB3 ALA A 7 4.380 9.028 -5.415 1.00 0.00 H new ATOM 79 N ALA A 8 2.815 6.594 -4.959 1.00 0.00 N ATOM 80 CA ALA A 8 2.814 5.358 -4.211 1.00 0.00 C ATOM 81 C ALA A 8 1.579 4.523 -4.478 1.00 0.00 C ATOM 82 O ALA A 8 1.702 3.326 -4.689 1.00 0.00 O ATOM 83 CB ALA A 8 2.928 5.659 -2.728 1.00 0.00 C ATOM 0 H ALA A 8 2.478 7.403 -4.438 1.00 0.00 H new ATOM 0 HA ALA A 8 3.674 4.774 -4.540 1.00 0.00 H new ATOM 0 HB1 ALA A 8 2.927 4.725 -2.166 1.00 0.00 H new ATOM 0 HB2 ALA A 8 3.856 6.197 -2.536 1.00 0.00 H new ATOM 0 HB3 ALA A 8 2.083 6.272 -2.415 1.00 0.00 H new ATOM 89 N ILE A 9 0.417 5.165 -4.571 1.00 0.00 N ATOM 90 CA ILE A 9 -0.827 4.529 -4.937 1.00 0.00 C ATOM 91 C ILE A 9 -0.757 3.880 -6.309 1.00 0.00 C ATOM 92 O ILE A 9 -1.205 2.755 -6.483 1.00 0.00 O ATOM 93 CB ILE A 9 -1.961 5.539 -4.937 1.00 0.00 C ATOM 94 CG1 ILE A 9 -2.124 6.289 -3.625 1.00 0.00 C ATOM 95 CG2 ILE A 9 -3.258 4.919 -5.409 1.00 0.00 C ATOM 96 CD1 ILE A 9 -2.249 5.356 -2.436 1.00 0.00 C ATOM 0 H ILE A 9 0.322 6.164 -4.388 1.00 0.00 H new ATOM 0 HA ILE A 9 -1.011 3.753 -4.194 1.00 0.00 H new ATOM 0 HB ILE A 9 -1.675 6.302 -5.661 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -1.268 6.948 -3.478 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -3.009 6.923 -3.680 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -4.047 5.671 -5.396 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -3.133 4.542 -6.424 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -3.530 4.096 -4.748 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -2.363 5.942 -1.524 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -3.121 4.715 -2.567 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -1.353 4.740 -2.361 1.00 0.00 H new ATOM 108 N LYS A 10 -0.152 4.549 -7.287 1.00 0.00 N ATOM 109 CA LYS A 10 0.134 4.068 -8.617 1.00 0.00 C ATOM 110 C LYS A 10 1.008 2.830 -8.527 1.00 0.00 C ATOM 111 O LYS A 10 0.590 1.749 -8.907 1.00 0.00 O ATOM 112 CB LYS A 10 0.742 5.208 -9.408 1.00 0.00 C ATOM 113 CG LYS A 10 -0.335 6.151 -9.908 1.00 0.00 C ATOM 114 CD LYS A 10 0.248 7.255 -10.743 1.00 0.00 C ATOM 115 CE LYS A 10 -0.784 8.162 -11.329 1.00 0.00 C ATOM 116 NZ LYS A 10 -0.257 9.211 -12.144 1.00 0.00 N ATOM 0 H LYS A 10 0.170 5.507 -7.152 1.00 0.00 H new ATOM 0 HA LYS A 10 -0.766 3.756 -9.147 1.00 0.00 H new ATOM 0 HB2 LYS A 10 1.448 5.754 -8.783 1.00 0.00 H new ATOM 0 HB3 LYS A 10 1.305 4.811 -10.253 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -1.064 5.594 -10.496 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -0.870 6.578 -9.059 1.00 0.00 H new ATOM 0 HD2 LYS A 10 0.932 7.842 -10.130 1.00 0.00 H new ATOM 0 HD3 LYS A 10 0.838 6.819 -11.549 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -1.475 7.567 -11.926 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -1.363 8.605 -10.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -1.038 9.792 -12.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 0.380 9.805 -11.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 0.271 8.800 -12.940 1.00 0.00 H new ATOM 130 N ALA A 11 2.137 2.961 -7.842 1.00 0.00 N ATOM 131 CA ALA A 11 3.004 1.867 -7.471 1.00 0.00 C ATOM 132 C ALA A 11 2.453 0.892 -6.450 1.00 0.00 C ATOM 133 O ALA A 11 3.182 0.040 -5.975 1.00 0.00 O ATOM 134 CB ALA A 11 4.339 2.475 -7.074 1.00 0.00 C ATOM 0 H ALA A 11 2.480 3.867 -7.522 1.00 0.00 H new ATOM 0 HA ALA A 11 3.113 1.212 -8.335 1.00 0.00 H new ATOM 0 HB1 ALA A 11 5.028 1.682 -6.785 1.00 0.00 H new ATOM 0 HB2 ALA A 11 4.753 3.026 -7.918 1.00 0.00 H new ATOM 0 HB3 ALA A 11 4.194 3.154 -6.234 1.00 0.00 H new ATOM 140 N ILE A 12 1.168 0.932 -6.127 1.00 0.00 N ATOM 141 CA ILE A 12 0.389 -0.097 -5.480 1.00 0.00 C ATOM 142 C ILE A 12 -0.669 -0.618 -6.437 1.00 0.00 C ATOM 143 O ILE A 12 -0.563 -1.785 -6.793 1.00 0.00 O ATOM 144 CB ILE A 12 -0.157 0.351 -4.132 1.00 0.00 C ATOM 145 CG1 ILE A 12 0.955 0.508 -3.114 1.00 0.00 C ATOM 146 CG2 ILE A 12 -1.189 -0.601 -3.564 1.00 0.00 C ATOM 147 CD1 ILE A 12 0.615 1.322 -1.891 1.00 0.00 C ATOM 0 H ILE A 12 0.603 1.757 -6.331 1.00 0.00 H new ATOM 0 HA ILE A 12 1.041 -0.936 -5.237 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.638 1.311 -4.320 1.00 0.00 H new ATOM 0 HG12 ILE A 12 1.269 -0.485 -2.791 1.00 0.00 H new ATOM 0 HG13 ILE A 12 1.811 0.968 -3.607 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -1.540 -0.226 -2.602 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -2.031 -0.678 -4.252 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -0.740 -1.585 -3.428 1.00 0.00 H new ATOM 0 HD11 ILE A 12 1.482 1.368 -1.232 1.00 0.00 H new ATOM 0 HD12 ILE A 12 0.334 2.331 -2.192 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -0.217 0.856 -1.363 1.00 0.00 H new ATOM 159 N ALA A 13 -1.670 0.127 -6.904 1.00 0.00 N ATOM 160 CA ALA A 13 -2.767 -0.426 -7.660 1.00 0.00 C ATOM 161 C ALA A 13 -2.334 -1.021 -8.983 1.00 0.00 C ATOM 162 O ALA A 13 -2.911 -1.976 -9.441 1.00 0.00 O ATOM 163 CB ALA A 13 -3.826 0.651 -7.821 1.00 0.00 C ATOM 0 H ALA A 13 -1.733 1.135 -6.762 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.188 -1.268 -7.111 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.666 0.253 -8.391 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.173 0.970 -6.838 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -3.400 1.504 -8.350 1.00 0.00 H new ATOM 169 N ALA A 14 -1.241 -0.521 -9.548 1.00 0.00 N ATOM 170 CA ALA A 14 -0.601 -1.085 -10.713 1.00 0.00 C ATOM 171 C ALA A 14 0.183 -2.336 -10.376 1.00 0.00 C ATOM 172 O ALA A 14 0.131 -3.328 -11.085 1.00 0.00 O ATOM 173 CB ALA A 14 0.264 -0.049 -11.376 1.00 0.00 C ATOM 0 H ALA A 14 -0.769 0.310 -9.193 1.00 0.00 H new ATOM 0 HA ALA A 14 -1.377 -1.388 -11.416 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.743 -0.483 -12.254 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -0.351 0.798 -11.680 1.00 0.00 H new ATOM 0 HB3 ALA A 14 1.028 0.289 -10.676 1.00 0.00 H new ATOM 179 N ILE A 15 0.862 -2.347 -9.232 1.00 0.00 N ATOM 180 CA ILE A 15 1.572 -3.464 -8.648 1.00 0.00 C ATOM 181 C ILE A 15 0.655 -4.614 -8.277 1.00 0.00 C ATOM 182 O ILE A 15 0.994 -5.746 -8.578 1.00 0.00 O ATOM 183 CB ILE A 15 2.366 -2.926 -7.466 1.00 0.00 C ATOM 184 CG1 ILE A 15 3.840 -2.803 -7.824 1.00 0.00 C ATOM 185 CG2 ILE A 15 2.217 -3.692 -6.161 1.00 0.00 C ATOM 186 CD1 ILE A 15 4.146 -1.740 -8.863 1.00 0.00 C ATOM 0 H ILE A 15 0.931 -1.511 -8.652 1.00 0.00 H new ATOM 0 HA ILE A 15 2.252 -3.900 -9.380 1.00 0.00 H new ATOM 0 HB ILE A 15 1.926 -1.948 -7.273 1.00 0.00 H new ATOM 0 HG12 ILE A 15 4.404 -2.581 -6.918 1.00 0.00 H new ATOM 0 HG13 ILE A 15 4.194 -3.766 -8.192 1.00 0.00 H new ATOM 0 HG21 ILE A 15 2.826 -3.220 -5.390 1.00 0.00 H new ATOM 0 HG22 ILE A 15 1.172 -3.685 -5.852 1.00 0.00 H new ATOM 0 HG23 ILE A 15 2.546 -4.721 -6.304 1.00 0.00 H new ATOM 0 HD11 ILE A 15 5.218 -1.720 -9.059 1.00 0.00 H new ATOM 0 HD12 ILE A 15 3.613 -1.969 -9.786 1.00 0.00 H new ATOM 0 HD13 ILE A 15 3.827 -0.766 -8.492 1.00 0.00 H new ATOM 198 N ILE A 16 -0.527 -4.321 -7.740 1.00 0.00 N ATOM 199 CA ILE A 16 -1.524 -5.309 -7.394 1.00 0.00 C ATOM 200 C ILE A 16 -1.956 -6.046 -8.648 1.00 0.00 C ATOM 201 O ILE A 16 -2.008 -7.264 -8.686 1.00 0.00 O ATOM 202 CB ILE A 16 -2.680 -4.649 -6.657 1.00 0.00 C ATOM 203 CG1 ILE A 16 -2.214 -4.124 -5.308 1.00 0.00 C ATOM 204 CG2 ILE A 16 -3.794 -5.664 -6.449 1.00 0.00 C ATOM 205 CD1 ILE A 16 -3.224 -3.412 -4.421 1.00 0.00 C ATOM 0 H ILE A 16 -0.817 -3.365 -7.532 1.00 0.00 H new ATOM 0 HA ILE A 16 -1.108 -6.050 -6.712 1.00 0.00 H new ATOM 0 HB ILE A 16 -3.049 -3.814 -7.253 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -1.813 -4.966 -4.744 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -1.387 -3.437 -5.487 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -4.623 -5.192 -5.921 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -4.140 -6.028 -7.416 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -3.418 -6.501 -5.860 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -2.739 -3.098 -3.497 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -3.613 -2.537 -4.942 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -4.045 -4.090 -4.188 1.00 0.00 H new ATOM 217 N LYS A 17 -2.225 -5.320 -9.724 1.00 0.00 N ATOM 218 CA LYS A 17 -2.534 -5.843 -11.033 1.00 0.00 C ATOM 219 C LYS A 17 -1.392 -6.645 -11.621 1.00 0.00 C ATOM 220 O LYS A 17 -1.590 -7.749 -12.069 1.00 0.00 O ATOM 221 CB LYS A 17 -2.971 -4.701 -11.931 1.00 0.00 C ATOM 222 CG LYS A 17 -3.428 -5.052 -13.328 1.00 0.00 C ATOM 223 CD LYS A 17 -4.740 -5.793 -13.375 1.00 0.00 C ATOM 224 CE LYS A 17 -4.632 -7.258 -13.519 1.00 0.00 C ATOM 225 NZ LYS A 17 -5.918 -7.913 -13.622 1.00 0.00 N ATOM 0 H LYS A 17 -2.232 -4.300 -9.699 1.00 0.00 H new ATOM 0 HA LYS A 17 -3.357 -6.552 -10.944 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -3.784 -4.173 -11.433 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -2.140 -4.001 -12.014 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -3.519 -4.135 -13.911 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -2.661 -5.660 -13.808 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -5.295 -5.574 -12.463 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -5.328 -5.405 -14.207 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -4.042 -7.488 -14.406 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -4.092 -7.663 -12.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -5.778 -8.939 -13.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -6.475 -7.721 -12.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -6.426 -7.551 -14.454 1.00 0.00 H new ATOM 239 N ALA A 18 -0.184 -6.132 -11.585 1.00 0.00 N ATOM 240 CA ALA A 18 0.944 -6.674 -12.299 1.00 0.00 C ATOM 241 C ALA A 18 1.585 -7.822 -11.564 1.00 0.00 C ATOM 242 O ALA A 18 1.920 -8.821 -12.150 1.00 0.00 O ATOM 243 CB ALA A 18 1.899 -5.563 -12.637 1.00 0.00 C ATOM 0 H ALA A 18 0.046 -5.300 -11.041 1.00 0.00 H new ATOM 0 HA ALA A 18 0.601 -7.110 -13.237 1.00 0.00 H new ATOM 0 HB1 ALA A 18 2.754 -5.970 -13.177 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.393 -4.825 -13.260 1.00 0.00 H new ATOM 0 HB3 ALA A 18 2.243 -5.087 -11.719 1.00 0.00 H new ATOM 249 N GLY A 19 1.758 -7.661 -10.278 1.00 0.00 N ATOM 250 CA GLY A 19 2.223 -8.633 -9.324 1.00 0.00 C ATOM 251 C GLY A 19 1.263 -9.782 -9.104 1.00 0.00 C ATOM 252 O GLY A 19 1.679 -10.891 -8.865 1.00 0.00 O ATOM 0 H GLY A 19 1.559 -6.765 -9.832 1.00 0.00 H new ATOM 0 HA2 GLY A 19 3.180 -9.031 -9.662 1.00 0.00 H new ATOM 0 HA3 GLY A 19 2.404 -8.135 -8.371 1.00 0.00 H new ATOM 256 N GLY A 20 -0.024 -9.532 -9.185 1.00 0.00 N ATOM 257 CA GLY A 20 -1.052 -10.528 -9.084 1.00 0.00 C ATOM 258 C GLY A 20 -1.179 -11.043 -7.667 1.00 0.00 C ATOM 259 O GLY A 20 -1.117 -12.236 -7.491 1.00 0.00 O ATOM 0 H GLY A 20 -0.392 -8.591 -9.329 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -2.004 -10.106 -9.407 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -0.827 -11.356 -9.756 1.00 0.00 H new ATOM 263 N TYR A 21 -1.385 -10.178 -6.693 1.00 0.00 N ATOM 264 CA TYR A 21 -1.432 -10.507 -5.298 1.00 0.00 C ATOM 265 C TYR A 21 -2.411 -11.576 -4.896 1.00 0.00 C ATOM 266 O TYR A 21 -2.211 -12.228 -3.929 1.00 0.00 O ATOM 267 CB TYR A 21 -1.676 -9.260 -4.475 1.00 0.00 C ATOM 268 CG TYR A 21 -0.452 -8.528 -3.998 1.00 0.00 C ATOM 269 CD1 TYR A 21 0.507 -9.049 -3.131 1.00 0.00 C ATOM 270 CD2 TYR A 21 -0.313 -7.219 -4.452 1.00 0.00 C ATOM 271 CE1 TYR A 21 1.610 -8.278 -2.767 1.00 0.00 C ATOM 272 CE2 TYR A 21 0.784 -6.428 -4.104 1.00 0.00 C ATOM 273 CZ TYR A 21 1.759 -6.980 -3.262 1.00 0.00 C ATOM 274 OH TYR A 21 2.851 -6.237 -2.944 1.00 0.00 O ATOM 0 H TYR A 21 -1.530 -9.184 -6.870 1.00 0.00 H new ATOM 0 HA TYR A 21 -0.452 -10.938 -5.094 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -2.278 -8.571 -5.068 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -2.271 -9.535 -3.604 1.00 0.00 H new ATOM 0 HD1 TYR A 21 0.396 -10.050 -2.741 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -1.077 -6.803 -5.093 1.00 0.00 H new ATOM 0 HE1 TYR A 21 2.354 -8.686 -2.099 1.00 0.00 H new ATOM 0 HE2 TYR A 21 0.879 -5.418 -4.474 1.00 0.00 H new ATOM 0 HH TYR A 21 3.656 -6.670 -3.297 1.00 0.00 H new ATOM 294 N ALA B 24 0.750 -13.920 -3.308 1.00 0.00 N ATOM 295 CA ALA B 24 1.319 -13.180 -2.226 1.00 0.00 C ATOM 296 C ALA B 24 2.759 -12.790 -2.374 1.00 0.00 C ATOM 297 O ALA B 24 3.143 -11.740 -1.902 1.00 0.00 O ATOM 298 CB ALA B 24 1.100 -14.009 -0.998 1.00 0.00 C ATOM 0 HA ALA B 24 0.822 -12.211 -2.183 1.00 0.00 H new ATOM 0 HB1 ALA B 24 1.516 -13.494 -0.132 1.00 0.00 H new ATOM 0 HB2 ALA B 24 0.031 -14.164 -0.850 1.00 0.00 H new ATOM 0 HB3 ALA B 24 1.593 -14.974 -1.117 1.00 0.00 H new ATOM 304 N LYS B 25 3.595 -13.556 -3.048 1.00 0.00 N ATOM 305 CA LYS B 25 4.994 -13.294 -3.258 1.00 0.00 C ATOM 306 C LYS B 25 5.292 -12.081 -4.103 1.00 0.00 C ATOM 307 O LYS B 25 6.421 -11.629 -4.136 1.00 0.00 O ATOM 308 CB LYS B 25 5.647 -14.514 -3.860 1.00 0.00 C ATOM 309 CG LYS B 25 5.764 -15.645 -2.888 1.00 0.00 C ATOM 310 CD LYS B 25 6.364 -16.896 -3.469 1.00 0.00 C ATOM 311 CE LYS B 25 6.112 -17.904 -3.062 1.00 0.00 C ATOM 312 NZ LYS B 25 6.235 -19.094 -3.357 1.00 0.00 N ATOM 0 H LYS B 25 3.292 -14.426 -3.486 1.00 0.00 H new ATOM 0 HA LYS B 25 5.407 -13.069 -2.275 1.00 0.00 H new ATOM 0 HB2 LYS B 25 5.069 -14.841 -4.724 1.00 0.00 H new ATOM 0 HB3 LYS B 25 6.640 -14.248 -4.223 1.00 0.00 H new ATOM 0 HG2 LYS B 25 6.372 -15.322 -2.043 1.00 0.00 H new ATOM 0 HG3 LYS B 25 4.773 -15.878 -2.497 1.00 0.00 H new ATOM 0 HD2 LYS B 25 6.108 -16.908 -4.528 1.00 0.00 H new ATOM 0 HD3 LYS B 25 7.447 -16.789 -3.404 1.00 0.00 H new ATOM 0 HE2 LYS B 25 6.576 -17.869 -2.076 1.00 0.00 H new ATOM 0 HE3 LYS B 25 5.036 -17.821 -2.911 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 5.812 -19.682 -2.611 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 5.752 -19.280 -4.259 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 7.244 -19.326 -3.450 1.00 0.00 H new ATOM 326 N ALA B 26 4.270 -11.459 -4.666 1.00 0.00 N ATOM 327 CA ALA B 26 4.287 -10.087 -5.108 1.00 0.00 C ATOM 328 C ALA B 26 4.638 -9.045 -4.062 1.00 0.00 C ATOM 329 O ALA B 26 4.704 -7.869 -4.374 1.00 0.00 O ATOM 330 CB ALA B 26 2.919 -9.800 -5.705 1.00 0.00 C ATOM 0 H ALA B 26 3.375 -11.919 -4.831 1.00 0.00 H new ATOM 0 HA ALA B 26 5.100 -9.996 -5.828 1.00 0.00 H new ATOM 0 HB1 ALA B 26 2.884 -8.768 -6.055 1.00 0.00 H new ATOM 0 HB2 ALA B 26 2.739 -10.474 -6.543 1.00 0.00 H new ATOM 0 HB3 ALA B 26 2.152 -9.952 -4.946 1.00 0.00 H new ATOM 336 N ALA B 27 4.922 -9.458 -2.832 1.00 0.00 N ATOM 337 CA ALA B 27 5.160 -8.602 -1.696 1.00 0.00 C ATOM 338 C ALA B 27 6.491 -7.873 -1.733 1.00 0.00 C ATOM 339 O ALA B 27 6.541 -6.704 -2.086 1.00 0.00 O ATOM 340 CB ALA B 27 4.870 -9.399 -0.435 1.00 0.00 C ATOM 0 H ALA B 27 4.994 -10.448 -2.598 1.00 0.00 H new ATOM 0 HA ALA B 27 4.471 -7.758 -1.719 1.00 0.00 H new ATOM 0 HB1 ALA B 27 5.043 -8.772 0.440 1.00 0.00 H new ATOM 0 HB2 ALA B 27 3.831 -9.730 -0.444 1.00 0.00 H new ATOM 0 HB3 ALA B 27 5.527 -10.268 -0.394 1.00 0.00 H new ATOM 346 N ALA B 28 7.595 -8.500 -1.351 1.00 0.00 N ATOM 347 CA ALA B 28 8.807 -7.805 -1.005 1.00 0.00 C ATOM 348 C ALA B 28 9.613 -7.240 -2.154 1.00 0.00 C ATOM 349 O ALA B 28 10.713 -6.760 -1.933 1.00 0.00 O ATOM 350 CB ALA B 28 9.644 -8.649 -0.083 1.00 0.00 C ATOM 0 H ALA B 28 7.666 -9.515 -1.275 1.00 0.00 H new ATOM 0 HA ALA B 28 8.476 -6.906 -0.486 1.00 0.00 H new ATOM 0 HB1 ALA B 28 10.558 -8.113 0.172 1.00 0.00 H new ATOM 0 HB2 ALA B 28 9.082 -8.861 0.827 1.00 0.00 H new ATOM 0 HB3 ALA B 28 9.899 -9.586 -0.578 1.00 0.00 H new ATOM 356 N ALA B 29 9.100 -7.240 -3.374 1.00 0.00 N ATOM 357 CA ALA B 29 9.506 -6.391 -4.462 1.00 0.00 C ATOM 358 C ALA B 29 8.776 -5.066 -4.356 1.00 0.00 C ATOM 359 O ALA B 29 9.390 -4.012 -4.353 1.00 0.00 O ATOM 360 CB ALA B 29 9.192 -7.060 -5.784 1.00 0.00 C ATOM 0 H ALA B 29 8.345 -7.873 -3.638 1.00 0.00 H new ATOM 0 HA ALA B 29 10.581 -6.216 -4.410 1.00 0.00 H new ATOM 0 HB1 ALA B 29 9.502 -6.411 -6.603 1.00 0.00 H new ATOM 0 HB2 ALA B 29 9.728 -8.007 -5.849 1.00 0.00 H new ATOM 0 HB3 ALA B 29 8.120 -7.244 -5.853 1.00 0.00 H new ATOM 366 N ALA B 30 7.453 -5.112 -4.256 1.00 0.00 N ATOM 367 CA ALA B 30 6.574 -3.984 -4.433 1.00 0.00 C ATOM 368 C ALA B 30 6.539 -3.156 -3.165 1.00 0.00 C ATOM 369 O ALA B 30 6.762 -1.962 -3.180 1.00 0.00 O ATOM 370 CB ALA B 30 5.216 -4.555 -4.774 1.00 0.00 C ATOM 0 H ALA B 30 6.953 -5.974 -4.041 1.00 0.00 H new ATOM 0 HA ALA B 30 6.911 -3.319 -5.228 1.00 0.00 H new ATOM 0 HB1 ALA B 30 4.505 -3.741 -4.920 1.00 0.00 H new ATOM 0 HB2 ALA B 30 5.288 -5.143 -5.689 1.00 0.00 H new ATOM 0 HB3 ALA B 30 4.875 -5.193 -3.959 1.00 0.00 H new ATOM 376 N ILE B 31 6.320 -3.828 -2.042 1.00 0.00 N ATOM 377 CA ILE B 31 6.258 -3.320 -0.693 1.00 0.00 C ATOM 378 C ILE B 31 7.552 -2.637 -0.289 1.00 0.00 C ATOM 379 O ILE B 31 7.494 -1.613 0.383 1.00 0.00 O ATOM 380 CB ILE B 31 5.983 -4.446 0.292 1.00 0.00 C ATOM 381 CG1 ILE B 31 4.711 -5.238 0.024 1.00 0.00 C ATOM 382 CG2 ILE B 31 6.035 -4.017 1.748 1.00 0.00 C ATOM 383 CD1 ILE B 31 3.439 -4.476 0.340 1.00 0.00 C ATOM 0 H ILE B 31 6.168 -4.836 -2.064 1.00 0.00 H new ATOM 0 HA ILE B 31 5.448 -2.592 -0.669 1.00 0.00 H new ATOM 0 HB ILE B 31 6.818 -5.122 0.110 1.00 0.00 H new ATOM 0 HG12 ILE B 31 4.694 -5.537 -1.024 1.00 0.00 H new ATOM 0 HG13 ILE B 31 4.732 -6.153 0.616 1.00 0.00 H new ATOM 0 HG21 ILE B 31 5.829 -4.875 2.388 1.00 0.00 H new ATOM 0 HG22 ILE B 31 7.026 -3.624 1.976 1.00 0.00 H new ATOM 0 HG23 ILE B 31 5.288 -3.244 1.926 1.00 0.00 H new ATOM 0 HD11 ILE B 31 2.575 -5.105 0.124 1.00 0.00 H new ATOM 0 HD12 ILE B 31 3.432 -4.200 1.395 1.00 0.00 H new ATOM 0 HD13 ILE B 31 3.394 -3.574 -0.271 1.00 0.00 H new ATOM 395 N LYS B 32 8.697 -3.155 -0.724 1.00 0.00 N ATOM 396 CA LYS B 32 9.993 -2.556 -0.495 1.00 0.00 C ATOM 397 C LYS B 32 10.063 -1.184 -1.142 1.00 0.00 C ATOM 398 O LYS B 32 10.323 -0.209 -0.456 1.00 0.00 O ATOM 399 CB LYS B 32 11.048 -3.536 -0.976 1.00 0.00 C ATOM 400 CG LYS B 32 11.612 -4.406 0.118 1.00 0.00 C ATOM 401 CD LYS B 32 12.942 -4.992 -0.288 1.00 0.00 C ATOM 402 CE LYS B 32 13.480 -5.955 0.691 1.00 0.00 C ATOM 403 NZ LYS B 32 14.784 -6.436 0.356 1.00 0.00 N ATOM 0 H LYS B 32 8.742 -4.023 -1.257 1.00 0.00 H new ATOM 0 HA LYS B 32 10.175 -2.372 0.564 1.00 0.00 H new ATOM 0 HB2 LYS B 32 10.615 -4.173 -1.747 1.00 0.00 H new ATOM 0 HB3 LYS B 32 11.862 -2.980 -1.442 1.00 0.00 H new ATOM 0 HG2 LYS B 32 11.732 -3.819 1.029 1.00 0.00 H new ATOM 0 HG3 LYS B 32 10.911 -5.209 0.346 1.00 0.00 H new ATOM 0 HD2 LYS B 32 12.833 -5.488 -1.253 1.00 0.00 H new ATOM 0 HD3 LYS B 32 13.661 -4.184 -0.424 1.00 0.00 H new ATOM 0 HE2 LYS B 32 13.516 -5.482 1.672 1.00 0.00 H new ATOM 0 HE3 LYS B 32 12.798 -6.801 0.770 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 15.104 -7.108 1.083 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 14.751 -6.914 -0.567 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 15.447 -5.636 0.308 1.00 0.00 H new ATOM 417 N ALA B 33 9.713 -1.105 -2.420 1.00 0.00 N ATOM 418 CA ALA B 33 9.504 0.106 -3.180 1.00 0.00 C ATOM 419 C ALA B 33 8.251 0.883 -2.823 1.00 0.00 C ATOM 420 O ALA B 33 7.813 1.730 -3.578 1.00 0.00 O ATOM 421 CB ALA B 33 9.550 -0.273 -4.643 1.00 0.00 C ATOM 0 H ALA B 33 9.560 -1.942 -2.982 1.00 0.00 H new ATOM 0 HA ALA B 33 10.298 0.809 -2.928 1.00 0.00 H new ATOM 0 HB1 ALA B 33 9.396 0.616 -5.254 1.00 0.00 H new ATOM 0 HB2 ALA B 33 10.521 -0.709 -4.875 1.00 0.00 H new ATOM 0 HB3 ALA B 33 8.766 -1.000 -4.855 1.00 0.00 H new ATOM 427 N ILE B 34 7.662 0.614 -1.665 1.00 0.00 N ATOM 428 CA ILE B 34 6.551 1.328 -1.082 1.00 0.00 C ATOM 429 C ILE B 34 6.836 1.775 0.341 1.00 0.00 C ATOM 430 O ILE B 34 6.761 2.973 0.562 1.00 0.00 O ATOM 431 CB ILE B 34 5.235 0.579 -1.239 1.00 0.00 C ATOM 432 CG1 ILE B 34 4.729 0.680 -2.670 1.00 0.00 C ATOM 433 CG2 ILE B 34 4.169 0.927 -0.221 1.00 0.00 C ATOM 434 CD1 ILE B 34 4.348 2.065 -3.160 1.00 0.00 C ATOM 0 H ILE B 34 7.973 -0.159 -1.077 1.00 0.00 H new ATOM 0 HA ILE B 34 6.428 2.248 -1.654 1.00 0.00 H new ATOM 0 HB ILE B 34 5.463 -0.464 -1.020 1.00 0.00 H new ATOM 0 HG12 ILE B 34 5.499 0.284 -3.332 1.00 0.00 H new ATOM 0 HG13 ILE B 34 3.858 0.032 -2.770 1.00 0.00 H new ATOM 0 HG21 ILE B 34 3.272 0.341 -0.419 1.00 0.00 H new ATOM 0 HG22 ILE B 34 4.535 0.703 0.781 1.00 0.00 H new ATOM 0 HG23 ILE B 34 3.932 1.988 -0.291 1.00 0.00 H new ATOM 0 HD11 ILE B 34 4.004 2.004 -4.192 1.00 0.00 H new ATOM 0 HD12 ILE B 34 3.550 2.466 -2.535 1.00 0.00 H new ATOM 0 HD13 ILE B 34 5.216 2.722 -3.106 1.00 0.00 H new ATOM 446 N ALA B 35 7.279 0.935 1.271 1.00 0.00 N ATOM 447 CA ALA B 35 7.515 1.376 2.627 1.00 0.00 C ATOM 448 C ALA B 35 8.564 2.461 2.789 1.00 0.00 C ATOM 449 O ALA B 35 8.507 3.258 3.716 1.00 0.00 O ATOM 450 CB ALA B 35 7.853 0.144 3.452 1.00 0.00 C ATOM 0 H ALA B 35 7.479 -0.051 1.104 1.00 0.00 H new ATOM 0 HA ALA B 35 6.605 1.862 2.978 1.00 0.00 H new ATOM 0 HB1 ALA B 35 8.038 0.438 4.485 1.00 0.00 H new ATOM 0 HB2 ALA B 35 7.019 -0.557 3.418 1.00 0.00 H new ATOM 0 HB3 ALA B 35 8.744 -0.333 3.045 1.00 0.00 H new ATOM 456 N ALA B 36 9.512 2.508 1.861 1.00 0.00 N ATOM 457 CA ALA B 36 10.469 3.576 1.698 1.00 0.00 C ATOM 458 C ALA B 36 9.847 4.819 1.094 1.00 0.00 C ATOM 459 O ALA B 36 10.033 5.918 1.584 1.00 0.00 O ATOM 460 CB ALA B 36 11.609 3.061 0.835 1.00 0.00 C ATOM 0 H ALA B 36 9.633 1.764 1.174 1.00 0.00 H new ATOM 0 HA ALA B 36 10.841 3.873 2.679 1.00 0.00 H new ATOM 0 HB1 ALA B 36 12.347 3.851 0.697 1.00 0.00 H new ATOM 0 HB2 ALA B 36 12.079 2.208 1.324 1.00 0.00 H new ATOM 0 HB3 ALA B 36 11.220 2.754 -0.136 1.00 0.00 H new ATOM 466 N ILE B 37 9.041 4.649 0.054 1.00 0.00 N ATOM 467 CA ILE B 37 8.265 5.658 -0.633 1.00 0.00 C ATOM 468 C ILE B 37 7.229 6.314 0.260 1.00 0.00 C ATOM 469 O ILE B 37 6.991 7.505 0.129 1.00 0.00 O ATOM 470 CB ILE B 37 7.695 5.065 -1.912 1.00 0.00 C ATOM 471 CG1 ILE B 37 8.659 5.113 -3.076 1.00 0.00 C ATOM 472 CG2 ILE B 37 6.384 5.671 -2.364 1.00 0.00 C ATOM 473 CD1 ILE B 37 9.873 4.214 -2.952 1.00 0.00 C ATOM 0 H ILE B 37 8.907 3.726 -0.359 1.00 0.00 H new ATOM 0 HA ILE B 37 8.921 6.482 -0.913 1.00 0.00 H new ATOM 0 HB ILE B 37 7.511 4.030 -1.626 1.00 0.00 H new ATOM 0 HG12 ILE B 37 8.120 4.843 -3.984 1.00 0.00 H new ATOM 0 HG13 ILE B 37 9.000 6.141 -3.201 1.00 0.00 H new ATOM 0 HG21 ILE B 37 6.056 5.185 -3.283 1.00 0.00 H new ATOM 0 HG22 ILE B 37 5.631 5.528 -1.589 1.00 0.00 H new ATOM 0 HG23 ILE B 37 6.520 6.737 -2.546 1.00 0.00 H new ATOM 0 HD11 ILE B 37 10.499 4.324 -3.838 1.00 0.00 H new ATOM 0 HD12 ILE B 37 10.444 4.494 -2.067 1.00 0.00 H new ATOM 0 HD13 ILE B 37 9.550 3.177 -2.862 1.00 0.00 H new ATOM 485 N ILE B 38 6.631 5.579 1.194 1.00 0.00 N ATOM 486 CA ILE B 38 5.742 6.087 2.214 1.00 0.00 C ATOM 487 C ILE B 38 6.406 7.186 3.016 1.00 0.00 C ATOM 488 O ILE B 38 5.835 8.254 3.173 1.00 0.00 O ATOM 489 CB ILE B 38 5.242 4.937 3.077 1.00 0.00 C ATOM 490 CG1 ILE B 38 4.223 4.173 2.247 1.00 0.00 C ATOM 491 CG2 ILE B 38 4.672 5.321 4.434 1.00 0.00 C ATOM 492 CD1 ILE B 38 3.414 3.095 2.947 1.00 0.00 C ATOM 0 H ILE B 38 6.764 4.570 1.256 1.00 0.00 H new ATOM 0 HA ILE B 38 4.871 6.545 1.745 1.00 0.00 H new ATOM 0 HB ILE B 38 6.106 4.328 3.343 1.00 0.00 H new ATOM 0 HG12 ILE B 38 3.525 4.895 1.823 1.00 0.00 H new ATOM 0 HG13 ILE B 38 4.749 3.710 1.412 1.00 0.00 H new ATOM 0 HG21 ILE B 38 4.348 4.423 4.960 1.00 0.00 H new ATOM 0 HG22 ILE B 38 5.438 5.828 5.020 1.00 0.00 H new ATOM 0 HG23 ILE B 38 3.821 5.988 4.296 1.00 0.00 H new ATOM 0 HD11 ILE B 38 2.729 2.635 2.235 1.00 0.00 H new ATOM 0 HD12 ILE B 38 4.087 2.336 3.346 1.00 0.00 H new ATOM 0 HD13 ILE B 38 2.845 3.540 3.763 1.00 0.00 H new ATOM 504 N LYS B 39 7.618 6.942 3.502 1.00 0.00 N ATOM 505 CA LYS B 39 8.431 7.820 4.306 1.00 0.00 C ATOM 506 C LYS B 39 8.960 9.012 3.532 1.00 0.00 C ATOM 507 O LYS B 39 8.914 10.125 4.012 1.00 0.00 O ATOM 508 CB LYS B 39 9.572 7.028 4.914 1.00 0.00 C ATOM 509 CG LYS B 39 10.388 7.697 5.961 1.00 0.00 C ATOM 510 CD LYS B 39 9.727 8.034 7.201 1.00 0.00 C ATOM 511 CE LYS B 39 9.443 6.874 7.870 1.00 0.00 C ATOM 512 NZ LYS B 39 8.760 7.121 9.051 1.00 0.00 N ATOM 0 H LYS B 39 8.086 6.053 3.325 1.00 0.00 H new ATOM 0 HA LYS B 39 7.797 8.228 5.093 1.00 0.00 H new ATOM 0 HB2 LYS B 39 9.158 6.115 5.342 1.00 0.00 H new ATOM 0 HB3 LYS B 39 10.240 6.727 4.107 1.00 0.00 H new ATOM 0 HG2 LYS B 39 11.234 7.050 6.194 1.00 0.00 H new ATOM 0 HG3 LYS B 39 10.796 8.614 5.536 1.00 0.00 H new ATOM 0 HD2 LYS B 39 10.365 8.675 7.809 1.00 0.00 H new ATOM 0 HD3 LYS B 39 8.811 8.591 7.003 1.00 0.00 H new ATOM 0 HE2 LYS B 39 8.845 6.223 7.233 1.00 0.00 H new ATOM 0 HE3 LYS B 39 10.369 6.343 8.089 1.00 0.00 H new ATOM 0 HZ1 LYS B 39 8.561 6.221 9.532 1.00 0.00 H new ATOM 0 HZ2 LYS B 39 9.341 7.723 9.669 1.00 0.00 H new ATOM 0 HZ3 LYS B 39 7.864 7.606 8.839 1.00 0.00 H new ATOM 526 N ALA B 40 9.380 8.813 2.291 1.00 0.00 N ATOM 527 CA ALA B 40 9.859 9.826 1.384 1.00 0.00 C ATOM 528 C ALA B 40 8.760 10.691 0.795 1.00 0.00 C ATOM 529 O ALA B 40 8.952 11.860 0.554 1.00 0.00 O ATOM 530 CB ALA B 40 10.664 9.133 0.299 1.00 0.00 C ATOM 0 H ALA B 40 9.393 7.883 1.873 1.00 0.00 H new ATOM 0 HA ALA B 40 10.482 10.523 1.944 1.00 0.00 H new ATOM 0 HB1 ALA B 40 11.041 9.875 -0.405 1.00 0.00 H new ATOM 0 HB2 ALA B 40 11.502 8.603 0.751 1.00 0.00 H new ATOM 0 HB3 ALA B 40 10.027 8.423 -0.229 1.00 0.00 H new ATOM 536 N GLY B 41 7.568 10.140 0.631 1.00 0.00 N ATOM 537 CA GLY B 41 6.372 10.768 0.141 1.00 0.00 C ATOM 538 C GLY B 41 5.648 11.589 1.177 1.00 0.00 C ATOM 539 O GLY B 41 4.920 12.485 0.820 1.00 0.00 O ATOM 0 H GLY B 41 7.409 9.159 0.859 1.00 0.00 H new ATOM 0 HA2 GLY B 41 6.629 11.409 -0.703 1.00 0.00 H new ATOM 0 HA3 GLY B 41 5.698 9.999 -0.236 1.00 0.00 H new ATOM 543 N GLY B 42 5.824 11.281 2.449 1.00 0.00 N ATOM 544 CA GLY B 42 5.281 12.019 3.551 1.00 0.00 C ATOM 545 C GLY B 42 3.865 11.700 3.918 1.00 0.00 C ATOM 546 O GLY B 42 3.161 12.575 4.327 1.00 0.00 O ATOM 0 H GLY B 42 6.374 10.474 2.744 1.00 0.00 H new ATOM 0 HA2 GLY B 42 5.910 11.846 4.424 1.00 0.00 H new ATOM 0 HA3 GLY B 42 5.345 13.082 3.318 1.00 0.00 H new ATOM 550 N TYR B 43 3.418 10.459 3.876 1.00 0.00 N ATOM 551 CA TYR B 43 2.160 9.998 4.350 1.00 0.00 C ATOM 552 C TYR B 43 1.929 10.192 5.791 1.00 0.00 C ATOM 553 O TYR B 43 1.499 9.964 6.214 1.00 0.00 O ATOM 554 CB TYR B 43 2.033 8.536 3.982 1.00 0.00 C ATOM 555 CG TYR B 43 1.538 8.251 2.590 1.00 0.00 C ATOM 556 CD1 TYR B 43 0.362 8.802 2.077 1.00 0.00 C ATOM 557 CD2 TYR B 43 2.251 7.307 1.857 1.00 0.00 C ATOM 558 CE1 TYR B 43 -0.078 8.423 0.808 1.00 0.00 C ATOM 559 CE2 TYR B 43 1.824 6.917 0.586 1.00 0.00 C ATOM 560 CZ TYR B 43 0.663 7.500 0.052 1.00 0.00 C ATOM 561 OH TYR B 43 0.276 7.232 -1.220 1.00 0.00 O ATOM 0 H TYR B 43 3.978 9.705 3.478 1.00 0.00 H new ATOM 0 HA TYR B 43 1.392 10.606 3.871 1.00 0.00 H new ATOM 0 HB2 TYR B 43 3.008 8.064 4.104 1.00 0.00 H new ATOM 0 HB3 TYR B 43 1.357 8.060 4.692 1.00 0.00 H new ATOM 0 HD1 TYR B 43 -0.203 9.516 2.658 1.00 0.00 H new ATOM 0 HD2 TYR B 43 3.146 6.871 2.276 1.00 0.00 H new ATOM 0 HE1 TYR B 43 -0.990 8.840 0.407 1.00 0.00 H new ATOM 0 HE2 TYR B 43 2.377 6.180 0.023 1.00 0.00 H new ATOM 0 HH TYR B 43 0.842 7.730 -1.846 1.00 0.00 H new ATOM 581 N ALA C 46 -7.608 12.019 -3.700 1.00 0.00 N ATOM 582 CA ALA C 46 -6.527 11.404 -3.023 1.00 0.00 C ATOM 583 C ALA C 46 -6.543 11.526 -1.519 1.00 0.00 C ATOM 584 O ALA C 46 -5.627 11.085 -0.861 1.00 0.00 O ATOM 585 CB ALA C 46 -5.251 11.813 -3.681 1.00 0.00 C ATOM 0 HA ALA C 46 -6.637 10.325 -3.129 1.00 0.00 H new ATOM 0 HB1 ALA C 46 -4.411 11.345 -3.168 1.00 0.00 H new ATOM 0 HB2 ALA C 46 -5.261 11.496 -4.724 1.00 0.00 H new ATOM 0 HB3 ALA C 46 -5.148 12.897 -3.632 1.00 0.00 H new ATOM 591 N LYS C 47 -7.591 12.069 -0.909 1.00 0.00 N ATOM 592 CA LYS C 47 -7.753 12.234 0.513 1.00 0.00 C ATOM 593 C LYS C 47 -7.880 10.933 1.270 1.00 0.00 C ATOM 594 O LYS C 47 -7.647 10.889 2.468 1.00 0.00 O ATOM 595 CB LYS C 47 -9.002 13.032 0.809 1.00 0.00 C ATOM 596 CG LYS C 47 -9.195 14.324 0.046 1.00 0.00 C ATOM 597 CD LYS C 47 -8.118 15.341 0.282 1.00 0.00 C ATOM 598 CE LYS C 47 -8.346 16.568 -0.516 1.00 0.00 C ATOM 599 NZ LYS C 47 -7.215 17.392 -0.632 1.00 0.00 N ATOM 0 H LYS C 47 -8.391 12.423 -1.433 1.00 0.00 H new ATOM 0 HA LYS C 47 -6.847 12.743 0.842 1.00 0.00 H new ATOM 0 HB2 LYS C 47 -9.864 12.394 0.616 1.00 0.00 H new ATOM 0 HB3 LYS C 47 -9.010 13.264 1.874 1.00 0.00 H new ATOM 0 HG2 LYS C 47 -9.242 14.101 -1.020 1.00 0.00 H new ATOM 0 HG3 LYS C 47 -10.156 14.757 0.323 1.00 0.00 H new ATOM 0 HD2 LYS C 47 -8.083 15.596 1.341 1.00 0.00 H new ATOM 0 HD3 LYS C 47 -7.149 14.913 0.025 1.00 0.00 H new ATOM 0 HE2 LYS C 47 -8.679 16.283 -1.514 1.00 0.00 H new ATOM 0 HE3 LYS C 47 -9.155 17.140 -0.061 1.00 0.00 H new ATOM 0 HZ1 LYS C 47 -7.452 18.229 -1.203 1.00 0.00 H new ATOM 0 HZ2 LYS C 47 -6.907 17.694 0.314 1.00 0.00 H new ATOM 0 HZ3 LYS C 47 -6.447 16.864 -1.094 1.00 0.00 H new ATOM 613 N ALA C 48 -8.176 9.848 0.566 1.00 0.00 N ATOM 614 CA ALA C 48 -8.109 8.481 1.019 1.00 0.00 C ATOM 615 C ALA C 48 -6.771 8.073 1.603 1.00 0.00 C ATOM 616 O ALA C 48 -6.676 6.941 2.050 1.00 0.00 O ATOM 617 CB ALA C 48 -8.463 7.587 -0.157 1.00 0.00 C ATOM 0 H ALA C 48 -8.490 9.914 -0.402 1.00 0.00 H new ATOM 0 HA ALA C 48 -8.815 8.375 1.842 1.00 0.00 H new ATOM 0 HB1 ALA C 48 -8.421 6.543 0.154 1.00 0.00 H new ATOM 0 HB2 ALA C 48 -9.469 7.823 -0.503 1.00 0.00 H new ATOM 0 HB3 ALA C 48 -7.753 7.753 -0.967 1.00 0.00 H new ATOM 623 N ALA C 49 -5.758 8.937 1.573 1.00 0.00 N ATOM 624 CA ALA C 49 -4.371 8.679 1.884 1.00 0.00 C ATOM 625 C ALA C 49 -4.188 8.187 3.309 1.00 0.00 C ATOM 626 O ALA C 49 -4.272 6.984 3.525 1.00 0.00 O ATOM 627 CB ALA C 49 -3.577 9.909 1.460 1.00 0.00 C ATOM 0 H ALA C 49 -5.908 9.911 1.308 1.00 0.00 H new ATOM 0 HA ALA C 49 -3.966 7.839 1.319 1.00 0.00 H new ATOM 0 HB1 ALA C 49 -2.521 9.753 1.679 1.00 0.00 H new ATOM 0 HB2 ALA C 49 -3.705 10.074 0.390 1.00 0.00 H new ATOM 0 HB3 ALA C 49 -3.936 10.781 2.007 1.00 0.00 H new ATOM 633 N ALA C 50 -3.923 9.030 4.301 1.00 0.00 N ATOM 634 CA ALA C 50 -3.685 8.539 5.638 1.00 0.00 C ATOM 635 C ALA C 50 -4.822 7.725 6.229 1.00 0.00 C ATOM 636 O ALA C 50 -4.576 6.762 6.939 1.00 0.00 O ATOM 637 CB ALA C 50 -3.247 9.718 6.490 1.00 0.00 C ATOM 0 H ALA C 50 -3.870 10.044 4.199 1.00 0.00 H new ATOM 0 HA ALA C 50 -2.886 7.798 5.607 1.00 0.00 H new ATOM 0 HB1 ALA C 50 -3.059 9.380 7.509 1.00 0.00 H new ATOM 0 HB2 ALA C 50 -2.335 10.147 6.076 1.00 0.00 H new ATOM 0 HB3 ALA C 50 -4.033 10.473 6.498 1.00 0.00 H new ATOM 643 N ALA C 51 -6.066 7.940 5.817 1.00 0.00 N ATOM 644 CA ALA C 51 -7.198 7.132 6.199 1.00 0.00 C ATOM 645 C ALA C 51 -7.078 5.668 5.829 1.00 0.00 C ATOM 646 O ALA C 51 -7.652 4.841 6.512 1.00 0.00 O ATOM 647 CB ALA C 51 -8.476 7.710 5.634 1.00 0.00 C ATOM 0 H ALA C 51 -6.313 8.706 5.190 1.00 0.00 H new ATOM 0 HA ALA C 51 -7.221 7.162 7.288 1.00 0.00 H new ATOM 0 HB1 ALA C 51 -9.320 7.088 5.932 1.00 0.00 H new ATOM 0 HB2 ALA C 51 -8.618 8.721 6.016 1.00 0.00 H new ATOM 0 HB3 ALA C 51 -8.413 7.739 4.546 1.00 0.00 H new ATOM 653 N ALA C 52 -6.283 5.321 4.824 1.00 0.00 N ATOM 654 CA ALA C 52 -5.820 3.966 4.621 1.00 0.00 C ATOM 655 C ALA C 52 -4.425 3.784 5.187 1.00 0.00 C ATOM 656 O ALA C 52 -4.171 2.979 6.069 1.00 0.00 O ATOM 657 CB ALA C 52 -5.892 3.600 3.152 1.00 0.00 C ATOM 0 H ALA C 52 -5.943 5.982 4.125 1.00 0.00 H new ATOM 0 HA ALA C 52 -6.475 3.283 5.162 1.00 0.00 H new ATOM 0 HB1 ALA C 52 -5.540 2.578 3.014 1.00 0.00 H new ATOM 0 HB2 ALA C 52 -6.923 3.679 2.808 1.00 0.00 H new ATOM 0 HB3 ALA C 52 -5.264 4.280 2.576 1.00 0.00 H new ATOM 663 N ILE C 53 -3.479 4.535 4.631 1.00 0.00 N ATOM 664 CA ILE C 53 -2.061 4.275 4.721 1.00 0.00 C ATOM 665 C ILE C 53 -1.549 4.372 6.147 1.00 0.00 C ATOM 666 O ILE C 53 -0.547 3.733 6.443 1.00 0.00 O ATOM 667 CB ILE C 53 -1.292 5.226 3.815 1.00 0.00 C ATOM 668 CG1 ILE C 53 -1.778 5.281 2.374 1.00 0.00 C ATOM 669 CG2 ILE C 53 0.183 4.865 3.774 1.00 0.00 C ATOM 670 CD1 ILE C 53 -1.745 3.974 1.623 1.00 0.00 C ATOM 0 H ILE C 53 -3.696 5.370 4.087 1.00 0.00 H new ATOM 0 HA ILE C 53 -1.897 3.250 4.389 1.00 0.00 H new ATOM 0 HB ILE C 53 -1.465 6.204 4.263 1.00 0.00 H new ATOM 0 HG12 ILE C 53 -2.801 5.656 2.369 1.00 0.00 H new ATOM 0 HG13 ILE C 53 -1.170 6.006 1.832 1.00 0.00 H new ATOM 0 HG21 ILE C 53 0.710 5.560 3.120 1.00 0.00 H new ATOM 0 HG22 ILE C 53 0.601 4.926 4.779 1.00 0.00 H new ATOM 0 HG23 ILE C 53 0.299 3.850 3.394 1.00 0.00 H new ATOM 0 HD11 ILE C 53 -2.112 4.128 0.608 1.00 0.00 H new ATOM 0 HD12 ILE C 53 -0.721 3.601 1.586 1.00 0.00 H new ATOM 0 HD13 ILE C 53 -2.378 3.246 2.131 1.00 0.00 H new ATOM 682 N LYS C 54 -2.194 5.132 7.031 1.00 0.00 N ATOM 683 CA LYS C 54 -1.726 5.347 8.377 1.00 0.00 C ATOM 684 C LYS C 54 -2.020 4.142 9.250 1.00 0.00 C ATOM 685 O LYS C 54 -1.190 3.751 10.052 1.00 0.00 O ATOM 686 CB LYS C 54 -2.404 6.624 8.853 1.00 0.00 C ATOM 687 CG LYS C 54 -1.685 7.495 9.867 1.00 0.00 C ATOM 688 CD LYS C 54 -1.698 6.996 11.234 1.00 0.00 C ATOM 689 CE LYS C 54 -0.956 7.907 12.161 1.00 0.00 C ATOM 690 NZ LYS C 54 -1.429 8.039 13.196 1.00 0.00 N ATOM 0 H LYS C 54 -3.066 5.617 6.818 1.00 0.00 H new ATOM 0 HA LYS C 54 -0.644 5.465 8.428 1.00 0.00 H new ATOM 0 HB2 LYS C 54 -2.608 7.237 7.975 1.00 0.00 H new ATOM 0 HB3 LYS C 54 -3.368 6.347 9.279 1.00 0.00 H new ATOM 0 HG2 LYS C 54 -0.649 7.613 9.550 1.00 0.00 H new ATOM 0 HG3 LYS C 54 -2.137 8.487 9.855 1.00 0.00 H new ATOM 0 HD2 LYS C 54 -2.728 6.891 11.574 1.00 0.00 H new ATOM 0 HD3 LYS C 54 -1.250 6.003 11.263 1.00 0.00 H new ATOM 0 HE2 LYS C 54 0.057 7.524 12.288 1.00 0.00 H new ATOM 0 HE3 LYS C 54 -0.870 8.887 11.691 1.00 0.00 H new ATOM 0 HZ1 LYS C 54 -0.845 8.685 13.765 1.00 0.00 H new ATOM 0 HZ2 LYS C 54 -2.385 8.436 13.093 1.00 0.00 H new ATOM 0 HZ3 LYS C 54 -1.487 7.116 13.671 1.00 0.00 H new ATOM 704 N ALA C 55 -3.151 3.486 9.038 1.00 0.00 N ATOM 705 CA ALA C 55 -3.381 2.137 9.498 1.00 0.00 C ATOM 706 C ALA C 55 -2.504 1.118 8.798 1.00 0.00 C ATOM 707 O ALA C 55 -1.815 0.348 9.448 1.00 0.00 O ATOM 708 CB ALA C 55 -4.851 1.818 9.327 1.00 0.00 C ATOM 0 H ALA C 55 -3.942 3.887 8.534 1.00 0.00 H new ATOM 0 HA ALA C 55 -3.106 2.076 10.551 1.00 0.00 H new ATOM 0 HB1 ALA C 55 -5.045 0.802 9.669 1.00 0.00 H new ATOM 0 HB2 ALA C 55 -5.446 2.518 9.913 1.00 0.00 H new ATOM 0 HB3 ALA C 55 -5.122 1.904 8.275 1.00 0.00 H new ATOM 714 N ILE C 56 -2.390 1.162 7.472 1.00 0.00 N ATOM 715 CA ILE C 56 -1.732 0.133 6.698 1.00 0.00 C ATOM 716 C ILE C 56 -0.242 0.108 6.993 1.00 0.00 C ATOM 717 O ILE C 56 0.321 -0.967 7.165 1.00 0.00 O ATOM 718 CB ILE C 56 -2.165 0.112 5.242 1.00 0.00 C ATOM 719 CG1 ILE C 56 -3.377 -0.772 5.030 1.00 0.00 C ATOM 720 CG2 ILE C 56 -1.078 -0.336 4.301 1.00 0.00 C ATOM 721 CD1 ILE C 56 -4.697 -0.254 5.510 1.00 0.00 C ATOM 0 H ILE C 56 -2.759 1.926 6.906 1.00 0.00 H new ATOM 0 HA ILE C 56 -2.078 -0.847 7.027 1.00 0.00 H new ATOM 0 HB ILE C 56 -2.412 1.148 5.011 1.00 0.00 H new ATOM 0 HG12 ILE C 56 -3.463 -0.977 3.963 1.00 0.00 H new ATOM 0 HG13 ILE C 56 -3.189 -1.726 5.523 1.00 0.00 H new ATOM 0 HG21 ILE C 56 -1.456 -0.327 3.279 1.00 0.00 H new ATOM 0 HG22 ILE C 56 -0.227 0.341 4.379 1.00 0.00 H new ATOM 0 HG23 ILE C 56 -0.763 -1.346 4.563 1.00 0.00 H new ATOM 0 HD11 ILE C 56 -5.475 -0.986 5.295 1.00 0.00 H new ATOM 0 HD12 ILE C 56 -4.650 -0.079 6.585 1.00 0.00 H new ATOM 0 HD13 ILE C 56 -4.928 0.681 5.000 1.00 0.00 H new ATOM 733 N ALA C 57 0.412 1.252 7.155 1.00 0.00 N ATOM 734 CA ALA C 57 1.817 1.302 7.490 1.00 0.00 C ATOM 735 C ALA C 57 2.156 0.736 8.858 1.00 0.00 C ATOM 736 O ALA C 57 3.270 0.302 9.079 1.00 0.00 O ATOM 737 CB ALA C 57 2.291 2.736 7.356 1.00 0.00 C ATOM 0 H ALA C 57 -0.024 2.169 7.056 1.00 0.00 H new ATOM 0 HA ALA C 57 2.343 0.653 6.790 1.00 0.00 H new ATOM 0 HB1 ALA C 57 3.351 2.794 7.605 1.00 0.00 H new ATOM 0 HB2 ALA C 57 2.140 3.075 6.331 1.00 0.00 H new ATOM 0 HB3 ALA C 57 1.723 3.372 8.035 1.00 0.00 H new ATOM 743 N ALA C 58 1.184 0.678 9.759 1.00 0.00 N ATOM 744 CA ALA C 58 1.306 0.030 11.038 1.00 0.00 C ATOM 745 C ALA C 58 0.966 -1.448 11.020 1.00 0.00 C ATOM 746 O ALA C 58 1.625 -2.263 11.629 1.00 0.00 O ATOM 747 CB ALA C 58 0.455 0.768 12.046 1.00 0.00 C ATOM 0 H ALA C 58 0.266 1.096 9.606 1.00 0.00 H new ATOM 0 HA ALA C 58 2.358 0.073 11.320 1.00 0.00 H new ATOM 0 HB1 ALA C 58 0.541 0.284 13.019 1.00 0.00 H new ATOM 0 HB2 ALA C 58 0.796 1.801 12.123 1.00 0.00 H new ATOM 0 HB3 ALA C 58 -0.586 0.752 11.724 1.00 0.00 H new ATOM 753 N ILE C 59 -0.033 -1.821 10.229 1.00 0.00 N ATOM 754 CA ILE C 59 -0.364 -3.176 9.855 1.00 0.00 C ATOM 755 C ILE C 59 0.797 -3.827 9.127 1.00 0.00 C ATOM 756 O ILE C 59 1.098 -4.982 9.375 1.00 0.00 O ATOM 757 CB ILE C 59 -1.654 -3.169 9.048 1.00 0.00 C ATOM 758 CG1 ILE C 59 -2.856 -2.868 9.918 1.00 0.00 C ATOM 759 CG2 ILE C 59 -1.907 -4.442 8.256 1.00 0.00 C ATOM 760 CD1 ILE C 59 -4.029 -2.265 9.187 1.00 0.00 C ATOM 0 H ILE C 59 -0.666 -1.140 9.811 1.00 0.00 H new ATOM 0 HA ILE C 59 -0.537 -3.784 10.743 1.00 0.00 H new ATOM 0 HB ILE C 59 -1.514 -2.369 8.321 1.00 0.00 H new ATOM 0 HG12 ILE C 59 -3.180 -3.791 10.398 1.00 0.00 H new ATOM 0 HG13 ILE C 59 -2.551 -2.186 10.712 1.00 0.00 H new ATOM 0 HG21 ILE C 59 -2.847 -4.351 7.711 1.00 0.00 H new ATOM 0 HG22 ILE C 59 -1.092 -4.599 7.550 1.00 0.00 H new ATOM 0 HG23 ILE C 59 -1.964 -5.290 8.939 1.00 0.00 H new ATOM 0 HD11 ILE C 59 -4.842 -2.084 9.890 1.00 0.00 H new ATOM 0 HD12 ILE C 59 -3.728 -1.322 8.730 1.00 0.00 H new ATOM 0 HD13 ILE C 59 -4.367 -2.952 8.411 1.00 0.00 H new ATOM 772 N ILE C 60 1.550 -3.098 8.312 1.00 0.00 N ATOM 773 CA ILE C 60 2.786 -3.551 7.719 1.00 0.00 C ATOM 774 C ILE C 60 3.820 -3.951 8.750 1.00 0.00 C ATOM 775 O ILE C 60 4.330 -5.065 8.729 1.00 0.00 O ATOM 776 CB ILE C 60 3.294 -2.533 6.709 1.00 0.00 C ATOM 777 CG1 ILE C 60 2.447 -2.649 5.450 1.00 0.00 C ATOM 778 CG2 ILE C 60 4.773 -2.606 6.382 1.00 0.00 C ATOM 779 CD1 ILE C 60 2.880 -1.846 4.240 1.00 0.00 C ATOM 0 H ILE C 60 1.302 -2.146 8.042 1.00 0.00 H new ATOM 0 HA ILE C 60 2.580 -4.471 7.171 1.00 0.00 H new ATOM 0 HB ILE C 60 3.189 -1.554 7.177 1.00 0.00 H new ATOM 0 HG12 ILE C 60 2.414 -3.700 5.162 1.00 0.00 H new ATOM 0 HG13 ILE C 60 1.428 -2.355 5.702 1.00 0.00 H new ATOM 0 HG21 ILE C 60 5.023 -1.835 5.653 1.00 0.00 H new ATOM 0 HG22 ILE C 60 5.355 -2.448 7.290 1.00 0.00 H new ATOM 0 HG23 ILE C 60 5.006 -3.587 5.968 1.00 0.00 H new ATOM 0 HD11 ILE C 60 2.187 -2.024 3.418 1.00 0.00 H new ATOM 0 HD12 ILE C 60 2.882 -0.785 4.489 1.00 0.00 H new ATOM 0 HD13 ILE C 60 3.883 -2.150 3.941 1.00 0.00 H new ATOM 791 N LYS C 61 4.118 -3.034 9.666 1.00 0.00 N ATOM 792 CA LYS C 61 5.078 -3.204 10.727 1.00 0.00 C ATOM 793 C LYS C 61 4.772 -4.424 11.575 1.00 0.00 C ATOM 794 O LYS C 61 5.665 -5.163 11.920 1.00 0.00 O ATOM 795 CB LYS C 61 5.154 -1.936 11.546 1.00 0.00 C ATOM 796 CG LYS C 61 6.174 -1.878 12.664 1.00 0.00 C ATOM 797 CD LYS C 61 7.608 -1.819 12.209 1.00 0.00 C ATOM 798 CE LYS C 61 8.267 -3.140 12.007 1.00 0.00 C ATOM 799 NZ LYS C 61 9.651 -3.011 11.669 1.00 0.00 N ATOM 0 H LYS C 61 3.672 -2.117 9.681 1.00 0.00 H new ATOM 0 HA LYS C 61 6.059 -3.387 10.289 1.00 0.00 H new ATOM 0 HB2 LYS C 61 5.356 -1.109 10.865 1.00 0.00 H new ATOM 0 HB3 LYS C 61 4.170 -1.758 11.980 1.00 0.00 H new ATOM 0 HG2 LYS C 61 5.967 -1.003 13.280 1.00 0.00 H new ATOM 0 HG3 LYS C 61 6.045 -2.754 13.300 1.00 0.00 H new ATOM 0 HD2 LYS C 61 7.652 -1.263 11.273 1.00 0.00 H new ATOM 0 HD3 LYS C 61 8.182 -1.254 12.943 1.00 0.00 H new ATOM 0 HE2 LYS C 61 8.171 -3.734 12.916 1.00 0.00 H new ATOM 0 HE3 LYS C 61 7.751 -3.683 11.215 1.00 0.00 H new ATOM 0 HZ1 LYS C 61 10.066 -3.956 11.538 1.00 0.00 H new ATOM 0 HZ2 LYS C 61 9.744 -2.467 10.787 1.00 0.00 H new ATOM 0 HZ3 LYS C 61 10.151 -2.516 12.435 1.00 0.00 H new ATOM 813 N ALA C 62 3.507 -4.668 11.867 1.00 0.00 N ATOM 814 CA ALA C 62 3.024 -5.826 12.582 1.00 0.00 C ATOM 815 C ALA C 62 2.894 -7.050 11.695 1.00 0.00 C ATOM 816 O ALA C 62 2.893 -8.152 12.188 1.00 0.00 O ATOM 817 CB ALA C 62 1.705 -5.464 13.246 1.00 0.00 C ATOM 0 H ALA C 62 2.757 -4.032 11.597 1.00 0.00 H new ATOM 0 HA ALA C 62 3.755 -6.102 13.342 1.00 0.00 H new ATOM 0 HB1 ALA C 62 1.324 -6.327 13.792 1.00 0.00 H new ATOM 0 HB2 ALA C 62 1.861 -4.637 13.938 1.00 0.00 H new ATOM 0 HB3 ALA C 62 0.983 -5.168 12.484 1.00 0.00 H new ATOM 823 N GLY C 63 2.773 -6.902 10.388 1.00 0.00 N ATOM 824 CA GLY C 63 2.590 -7.925 9.392 1.00 0.00 C ATOM 825 C GLY C 63 3.802 -8.791 9.164 1.00 0.00 C ATOM 826 O GLY C 63 3.644 -9.886 8.772 1.00 0.00 O ATOM 0 H GLY C 63 2.804 -5.974 9.965 1.00 0.00 H new ATOM 0 HA2 GLY C 63 1.755 -8.560 9.689 1.00 0.00 H new ATOM 0 HA3 GLY C 63 2.312 -7.453 8.450 1.00 0.00 H new ATOM 830 N GLY C 64 4.999 -8.291 9.345 1.00 0.00 N ATOM 831 CA GLY C 64 6.217 -9.003 9.064 1.00 0.00 C ATOM 832 C GLY C 64 6.748 -8.866 7.658 1.00 0.00 C ATOM 833 O GLY C 64 7.601 -9.624 7.235 1.00 0.00 O ATOM 0 H GLY C 64 5.155 -7.349 9.703 1.00 0.00 H new ATOM 0 HA2 GLY C 64 6.985 -8.659 9.757 1.00 0.00 H new ATOM 0 HA3 GLY C 64 6.053 -10.061 9.269 1.00 0.00 H new ATOM 837 N TYR C 65 6.266 -7.874 6.920 1.00 0.00 N ATOM 838 CA TYR C 65 6.657 -7.523 5.586 1.00 0.00 C ATOM 839 C TYR C 65 8.102 -7.115 5.420 1.00 0.00 C ATOM 840 O TYR C 65 8.614 -7.239 4.336 1.00 0.00 O ATOM 841 CB TYR C 65 5.752 -6.379 5.168 1.00 0.00 C ATOM 842 CG TYR C 65 4.425 -6.709 4.534 1.00 0.00 C ATOM 843 CD1 TYR C 65 4.350 -7.341 3.295 1.00 0.00 C ATOM 844 CD2 TYR C 65 3.277 -6.235 5.164 1.00 0.00 C ATOM 845 CE1 TYR C 65 3.105 -7.433 2.669 1.00 0.00 C ATOM 846 CE2 TYR C 65 2.031 -6.301 4.537 1.00 0.00 C ATOM 847 CZ TYR C 65 1.964 -6.891 3.270 1.00 0.00 C ATOM 848 OH TYR C 65 0.758 -6.952 2.650 1.00 0.00 O ATOM 0 H TYR C 65 5.538 -7.256 7.277 1.00 0.00 H new ATOM 0 HA TYR C 65 6.557 -8.412 4.964 1.00 0.00 H new ATOM 0 HB2 TYR C 65 5.556 -5.771 6.051 1.00 0.00 H new ATOM 0 HB3 TYR C 65 6.308 -5.755 4.469 1.00 0.00 H new ATOM 0 HD1 TYR C 65 5.234 -7.750 2.829 1.00 0.00 H new ATOM 0 HD2 TYR C 65 3.352 -5.809 6.154 1.00 0.00 H new ATOM 0 HE1 TYR C 65 3.022 -7.927 1.712 1.00 0.00 H new ATOM 0 HE2 TYR C 65 1.146 -5.909 5.015 1.00 0.00 H new ATOM 0 HH TYR C 65 0.164 -7.552 3.148 1.00 0.00 H new ATOM 868 N ALA D 68 6.706 -11.766 5.228 1.00 0.00 N ATOM 869 CA ALA D 68 5.811 -11.239 4.237 1.00 0.00 C ATOM 870 C ALA D 68 4.490 -11.951 4.029 1.00 0.00 C ATOM 871 O ALA D 68 3.810 -11.704 3.063 1.00 0.00 O ATOM 872 CB ALA D 68 6.606 -11.027 2.970 1.00 0.00 C ATOM 0 HA ALA D 68 5.434 -10.293 4.625 1.00 0.00 H new ATOM 0 HB1 ALA D 68 5.954 -10.626 2.194 1.00 0.00 H new ATOM 0 HB2 ALA D 68 7.416 -10.324 3.162 1.00 0.00 H new ATOM 0 HB3 ALA D 68 7.022 -11.978 2.638 1.00 0.00 H new ATOM 878 N LYS D 69 4.054 -12.782 4.955 1.00 0.00 N ATOM 879 CA LYS D 69 2.808 -13.503 4.869 1.00 0.00 C ATOM 880 C LYS D 69 1.587 -12.610 4.997 1.00 0.00 C ATOM 881 O LYS D 69 0.513 -13.008 4.588 1.00 0.00 O ATOM 882 CB LYS D 69 2.700 -14.549 5.962 1.00 0.00 C ATOM 883 CG LYS D 69 3.816 -15.562 5.963 1.00 0.00 C ATOM 884 CD LYS D 69 3.774 -16.627 5.945 1.00 0.00 C ATOM 885 CE LYS D 69 4.961 -17.538 5.976 1.00 0.00 C ATOM 886 NZ LYS D 69 5.494 -17.852 6.901 1.00 0.00 N ATOM 0 H LYS D 69 4.574 -12.977 5.810 1.00 0.00 H new ATOM 0 HA LYS D 69 2.821 -13.959 3.879 1.00 0.00 H new ATOM 0 HB2 LYS D 69 2.680 -14.046 6.929 1.00 0.00 H new ATOM 0 HB3 LYS D 69 1.750 -15.072 5.855 1.00 0.00 H new ATOM 0 HG2 LYS D 69 4.427 -15.297 5.100 1.00 0.00 H new ATOM 0 HG3 LYS D 69 4.400 -15.326 6.852 1.00 0.00 H new ATOM 0 HD2 LYS D 69 3.154 -16.915 6.794 1.00 0.00 H new ATOM 0 HD3 LYS D 69 3.221 -16.889 5.043 1.00 0.00 H new ATOM 0 HE2 LYS D 69 4.647 -18.458 5.482 1.00 0.00 H new ATOM 0 HE3 LYS D 69 5.713 -17.074 5.338 1.00 0.00 H new ATOM 0 HZ1 LYS D 69 6.281 -18.484 6.651 1.00 0.00 H new ATOM 0 HZ2 LYS D 69 5.866 -17.012 7.389 1.00 0.00 H new ATOM 0 HZ3 LYS D 69 4.834 -18.353 7.529 1.00 0.00 H new ATOM 900 N ALA D 70 1.759 -11.383 5.485 1.00 0.00 N ATOM 901 CA ALA D 70 0.833 -10.283 5.546 1.00 0.00 C ATOM 902 C ALA D 70 0.246 -9.858 4.215 1.00 0.00 C ATOM 903 O ALA D 70 -0.557 -8.939 4.162 1.00 0.00 O ATOM 904 CB ALA D 70 1.555 -9.129 6.210 1.00 0.00 C ATOM 0 H ALA D 70 2.657 -11.119 5.890 1.00 0.00 H new ATOM 0 HA ALA D 70 -0.035 -10.612 6.117 1.00 0.00 H new ATOM 0 HB1 ALA D 70 0.886 -8.271 6.276 1.00 0.00 H new ATOM 0 HB2 ALA D 70 1.868 -9.424 7.212 1.00 0.00 H new ATOM 0 HB3 ALA D 70 2.432 -8.861 5.620 1.00 0.00 H new ATOM 910 N ALA D 71 0.651 -10.517 3.133 1.00 0.00 N ATOM 911 CA ALA D 71 0.420 -10.175 1.751 1.00 0.00 C ATOM 912 C ALA D 71 -0.896 -10.653 1.169 1.00 0.00 C ATOM 913 O ALA D 71 -1.132 -10.562 -0.022 1.00 0.00 O ATOM 914 CB ALA D 71 1.620 -10.677 0.973 1.00 0.00 C ATOM 0 H ALA D 71 1.195 -11.376 3.219 1.00 0.00 H new ATOM 0 HA ALA D 71 0.317 -9.092 1.676 1.00 0.00 H new ATOM 0 HB1 ALA D 71 1.493 -10.441 -0.084 1.00 0.00 H new ATOM 0 HB2 ALA D 71 2.523 -10.195 1.346 1.00 0.00 H new ATOM 0 HB3 ALA D 71 1.708 -11.756 1.096 1.00 0.00 H new ATOM 920 N ALA D 72 -1.845 -11.080 1.994 1.00 0.00 N ATOM 921 CA ALA D 72 -3.257 -11.003 1.713 1.00 0.00 C ATOM 922 C ALA D 72 -3.911 -9.957 2.595 1.00 0.00 C ATOM 923 O ALA D 72 -4.364 -8.936 2.094 1.00 0.00 O ATOM 924 CB ALA D 72 -3.869 -12.388 1.787 1.00 0.00 C ATOM 0 H ALA D 72 -1.638 -11.500 2.900 1.00 0.00 H new ATOM 0 HA ALA D 72 -3.435 -10.661 0.694 1.00 0.00 H new ATOM 0 HB1 ALA D 72 -4.936 -12.326 1.574 1.00 0.00 H new ATOM 0 HB2 ALA D 72 -3.390 -13.037 1.054 1.00 0.00 H new ATOM 0 HB3 ALA D 72 -3.722 -12.798 2.786 1.00 0.00 H new ATOM 930 N ALA D 73 -3.838 -10.055 3.915 1.00 0.00 N ATOM 931 CA ALA D 73 -4.549 -9.299 4.917 1.00 0.00 C ATOM 932 C ALA D 73 -4.501 -7.797 4.734 1.00 0.00 C ATOM 933 O ALA D 73 -5.512 -7.116 4.813 1.00 0.00 O ATOM 934 CB ALA D 73 -3.973 -9.668 6.259 1.00 0.00 C ATOM 0 H ALA D 73 -3.214 -10.737 4.346 1.00 0.00 H new ATOM 0 HA ALA D 73 -5.604 -9.559 4.829 1.00 0.00 H new ATOM 0 HB1 ALA D 73 -4.490 -9.113 7.042 1.00 0.00 H new ATOM 0 HB2 ALA D 73 -4.101 -10.737 6.428 1.00 0.00 H new ATOM 0 HB3 ALA D 73 -2.911 -9.422 6.279 1.00 0.00 H new ATOM 940 N ALA D 74 -3.313 -7.273 4.453 1.00 0.00 N ATOM 941 CA ALA D 74 -3.126 -5.844 4.334 1.00 0.00 C ATOM 942 C ALA D 74 -3.498 -5.335 2.952 1.00 0.00 C ATOM 943 O ALA D 74 -4.019 -4.241 2.795 1.00 0.00 O ATOM 944 CB ALA D 74 -1.684 -5.469 4.651 1.00 0.00 C ATOM 0 H ALA D 74 -2.467 -7.824 4.304 1.00 0.00 H new ATOM 0 HA ALA D 74 -3.792 -5.370 5.055 1.00 0.00 H new ATOM 0 HB1 ALA D 74 -1.560 -4.390 4.557 1.00 0.00 H new ATOM 0 HB2 ALA D 74 -1.444 -5.775 5.669 1.00 0.00 H new ATOM 0 HB3 ALA D 74 -1.015 -5.974 3.954 1.00 0.00 H new ATOM 950 N ILE D 75 -3.278 -6.159 1.931 1.00 0.00 N ATOM 951 CA ILE D 75 -3.608 -5.881 0.557 1.00 0.00 C ATOM 952 C ILE D 75 -5.110 -5.914 0.336 1.00 0.00 C ATOM 953 O ILE D 75 -5.620 -5.092 -0.407 1.00 0.00 O ATOM 954 CB ILE D 75 -2.976 -6.961 -0.306 1.00 0.00 C ATOM 955 CG1 ILE D 75 -1.480 -7.150 -0.113 1.00 0.00 C ATOM 956 CG2 ILE D 75 -3.325 -6.780 -1.771 1.00 0.00 C ATOM 957 CD1 ILE D 75 -0.675 -5.890 -0.384 1.00 0.00 C ATOM 0 H ILE D 75 -2.846 -7.075 2.056 1.00 0.00 H new ATOM 0 HA ILE D 75 -3.239 -4.888 0.299 1.00 0.00 H new ATOM 0 HB ILE D 75 -3.421 -7.890 0.051 1.00 0.00 H new ATOM 0 HG12 ILE D 75 -1.291 -7.481 0.908 1.00 0.00 H new ATOM 0 HG13 ILE D 75 -1.133 -7.944 -0.774 1.00 0.00 H new ATOM 0 HG21 ILE D 75 -2.856 -7.570 -2.357 1.00 0.00 H new ATOM 0 HG22 ILE D 75 -4.407 -6.829 -1.896 1.00 0.00 H new ATOM 0 HG23 ILE D 75 -2.964 -5.811 -2.114 1.00 0.00 H new ATOM 0 HD11 ILE D 75 0.384 -6.094 -0.228 1.00 0.00 H new ATOM 0 HD12 ILE D 75 -0.835 -5.570 -1.414 1.00 0.00 H new ATOM 0 HD13 ILE D 75 -0.996 -5.100 0.295 1.00 0.00 H new ATOM 969 N LYS D 76 -5.797 -6.854 0.960 1.00 0.00 N ATOM 970 CA LYS D 76 -7.225 -7.046 0.914 1.00 0.00 C ATOM 971 C LYS D 76 -8.019 -5.927 1.551 1.00 0.00 C ATOM 972 O LYS D 76 -9.028 -5.553 1.010 1.00 0.00 O ATOM 973 CB LYS D 76 -7.523 -8.369 1.600 1.00 0.00 C ATOM 974 CG LYS D 76 -7.347 -9.560 0.674 1.00 0.00 C ATOM 975 CD LYS D 76 -8.548 -9.942 -0.084 1.00 0.00 C ATOM 976 CE LYS D 76 -8.430 -11.203 -0.859 1.00 0.00 C ATOM 977 NZ LYS D 76 -7.673 -11.042 -2.022 1.00 0.00 N ATOM 0 H LYS D 76 -5.336 -7.547 1.550 1.00 0.00 H new ATOM 0 HA LYS D 76 -7.536 -7.049 -0.131 1.00 0.00 H new ATOM 0 HB2 LYS D 76 -6.865 -8.483 2.462 1.00 0.00 H new ATOM 0 HB3 LYS D 76 -8.545 -8.356 1.978 1.00 0.00 H new ATOM 0 HG2 LYS D 76 -6.546 -9.337 -0.031 1.00 0.00 H new ATOM 0 HG3 LYS D 76 -7.022 -10.416 1.266 1.00 0.00 H new ATOM 0 HD2 LYS D 76 -9.382 -10.038 0.611 1.00 0.00 H new ATOM 0 HD3 LYS D 76 -8.797 -9.133 -0.771 1.00 0.00 H new ATOM 0 HE2 LYS D 76 -7.972 -11.970 -0.234 1.00 0.00 H new ATOM 0 HE3 LYS D 76 -9.426 -11.559 -1.123 1.00 0.00 H new ATOM 0 HZ1 LYS D 76 -7.619 -11.948 -2.529 1.00 0.00 H new ATOM 0 HZ2 LYS D 76 -8.122 -10.330 -2.633 1.00 0.00 H new ATOM 0 HZ3 LYS D 76 -6.714 -10.728 -1.771 1.00 0.00 H new ATOM 991 N ALA D 77 -7.515 -5.356 2.636 1.00 0.00 N ATOM 992 CA ALA D 77 -7.867 -4.026 3.076 1.00 0.00 C ATOM 993 C ALA D 77 -7.659 -2.980 2.000 1.00 0.00 C ATOM 994 O ALA D 77 -8.621 -2.393 1.519 1.00 0.00 O ATOM 995 CB ALA D 77 -7.116 -3.739 4.361 1.00 0.00 C ATOM 0 H ALA D 77 -6.838 -5.819 3.242 1.00 0.00 H new ATOM 0 HA ALA D 77 -8.937 -3.976 3.280 1.00 0.00 H new ATOM 0 HB1 ALA D 77 -7.366 -2.738 4.713 1.00 0.00 H new ATOM 0 HB2 ALA D 77 -7.397 -4.471 5.118 1.00 0.00 H new ATOM 0 HB3 ALA D 77 -6.043 -3.801 4.177 1.00 0.00 H new ATOM 1001 N ILE D 78 -6.419 -2.764 1.572 1.00 0.00 N ATOM 1002 CA ILE D 78 -6.057 -1.603 0.792 1.00 0.00 C ATOM 1003 C ILE D 78 -6.701 -1.643 -0.581 1.00 0.00 C ATOM 1004 O ILE D 78 -7.313 -0.659 -0.973 1.00 0.00 O ATOM 1005 CB ILE D 78 -4.559 -1.337 0.775 1.00 0.00 C ATOM 1006 CG1 ILE D 78 -4.193 0.047 1.273 1.00 0.00 C ATOM 1007 CG2 ILE D 78 -3.821 -1.694 -0.499 1.00 0.00 C ATOM 1008 CD1 ILE D 78 -4.664 1.205 0.423 1.00 0.00 C ATOM 0 H ILE D 78 -5.641 -3.395 1.761 1.00 0.00 H new ATOM 0 HA ILE D 78 -6.470 -0.728 1.294 1.00 0.00 H new ATOM 0 HB ILE D 78 -4.189 -2.063 1.499 1.00 0.00 H new ATOM 0 HG12 ILE D 78 -4.601 0.170 2.276 1.00 0.00 H new ATOM 0 HG13 ILE D 78 -3.108 0.104 1.361 1.00 0.00 H new ATOM 0 HG21 ILE D 78 -2.763 -1.458 -0.385 1.00 0.00 H new ATOM 0 HG22 ILE D 78 -3.935 -2.759 -0.699 1.00 0.00 H new ATOM 0 HG23 ILE D 78 -4.233 -1.122 -1.331 1.00 0.00 H new ATOM 0 HD11 ILE D 78 -4.345 2.143 0.877 1.00 0.00 H new ATOM 0 HD12 ILE D 78 -4.236 1.121 -0.576 1.00 0.00 H new ATOM 0 HD13 ILE D 78 -5.752 1.187 0.354 1.00 0.00 H new ATOM 1020 N ALA D 79 -6.733 -2.770 -1.293 1.00 0.00 N ATOM 1021 CA ALA D 79 -7.430 -2.861 -2.553 1.00 0.00 C ATOM 1022 C ALA D 79 -8.921 -2.593 -2.534 1.00 0.00 C ATOM 1023 O ALA D 79 -9.492 -2.159 -3.512 1.00 0.00 O ATOM 1024 CB ALA D 79 -7.108 -4.220 -3.157 1.00 0.00 C ATOM 0 H ALA D 79 -6.276 -3.635 -1.005 1.00 0.00 H new ATOM 0 HA ALA D 79 -7.066 -2.039 -3.169 1.00 0.00 H new ATOM 0 HB1 ALA D 79 -7.620 -4.324 -4.114 1.00 0.00 H new ATOM 0 HB2 ALA D 79 -6.032 -4.304 -3.310 1.00 0.00 H new ATOM 0 HB3 ALA D 79 -7.441 -5.007 -2.480 1.00 0.00 H new ATOM 1030 N ALA D 80 -9.550 -2.796 -1.390 1.00 0.00 N ATOM 1031 CA ALA D 80 -10.949 -2.524 -1.153 1.00 0.00 C ATOM 1032 C ALA D 80 -11.143 -1.084 -0.722 1.00 0.00 C ATOM 1033 O ALA D 80 -12.056 -0.413 -1.190 1.00 0.00 O ATOM 1034 CB ALA D 80 -11.444 -3.486 -0.097 1.00 0.00 C ATOM 0 H ALA D 80 -9.076 -3.171 -0.568 1.00 0.00 H new ATOM 0 HA ALA D 80 -11.523 -2.664 -2.069 1.00 0.00 H new ATOM 0 HB1 ALA D 80 -12.500 -3.299 0.099 1.00 0.00 H new ATOM 0 HB2 ALA D 80 -11.316 -4.510 -0.449 1.00 0.00 H new ATOM 0 HB3 ALA D 80 -10.874 -3.343 0.821 1.00 0.00 H new ATOM 1040 N ILE D 81 -10.224 -0.546 0.073 1.00 0.00 N ATOM 1041 CA ILE D 81 -10.139 0.809 0.561 1.00 0.00 C ATOM 1042 C ILE D 81 -9.786 1.759 -0.569 1.00 0.00 C ATOM 1043 O ILE D 81 -10.318 2.861 -0.609 1.00 0.00 O ATOM 1044 CB ILE D 81 -9.191 0.884 1.746 1.00 0.00 C ATOM 1045 CG1 ILE D 81 -9.708 0.124 2.952 1.00 0.00 C ATOM 1046 CG2 ILE D 81 -8.927 2.334 2.121 1.00 0.00 C ATOM 1047 CD1 ILE D 81 -8.657 -0.236 3.983 1.00 0.00 C ATOM 0 H ILE D 81 -9.449 -1.111 0.420 1.00 0.00 H new ATOM 0 HA ILE D 81 -11.112 1.131 0.931 1.00 0.00 H new ATOM 0 HB ILE D 81 -8.259 0.410 1.438 1.00 0.00 H new ATOM 0 HG12 ILE D 81 -10.480 0.723 3.436 1.00 0.00 H new ATOM 0 HG13 ILE D 81 -10.186 -0.793 2.607 1.00 0.00 H new ATOM 0 HG21 ILE D 81 -8.246 2.372 2.971 1.00 0.00 H new ATOM 0 HG22 ILE D 81 -8.479 2.853 1.274 1.00 0.00 H new ATOM 0 HG23 ILE D 81 -9.867 2.818 2.387 1.00 0.00 H new ATOM 0 HD11 ILE D 81 -9.125 -0.777 4.806 1.00 0.00 H new ATOM 0 HD12 ILE D 81 -7.895 -0.865 3.522 1.00 0.00 H new ATOM 0 HD13 ILE D 81 -8.194 0.674 4.364 1.00 0.00 H new ATOM 1059 N ILE D 82 -8.978 1.350 -1.545 1.00 0.00 N ATOM 1060 CA ILE D 82 -8.744 2.087 -2.766 1.00 0.00 C ATOM 1061 C ILE D 82 -10.031 2.365 -3.521 1.00 0.00 C ATOM 1062 O ILE D 82 -10.325 3.496 -3.858 1.00 0.00 O ATOM 1063 CB ILE D 82 -7.708 1.383 -3.629 1.00 0.00 C ATOM 1064 CG1 ILE D 82 -6.349 1.551 -2.974 1.00 0.00 C ATOM 1065 CG2 ILE D 82 -7.665 1.968 -5.033 1.00 0.00 C ATOM 1066 CD1 ILE D 82 -5.131 0.961 -3.664 1.00 0.00 C ATOM 0 H ILE D 82 -8.459 0.473 -1.499 1.00 0.00 H new ATOM 0 HA ILE D 82 -8.338 3.062 -2.495 1.00 0.00 H new ATOM 0 HB ILE D 82 -7.975 0.329 -3.713 1.00 0.00 H new ATOM 0 HG12 ILE D 82 -6.173 2.619 -2.847 1.00 0.00 H new ATOM 0 HG13 ILE D 82 -6.407 1.117 -1.976 1.00 0.00 H new ATOM 0 HG21 ILE D 82 -6.914 1.442 -5.623 1.00 0.00 H new ATOM 0 HG22 ILE D 82 -8.641 1.855 -5.504 1.00 0.00 H new ATOM 0 HG23 ILE D 82 -7.408 3.026 -4.979 1.00 0.00 H new ATOM 0 HD11 ILE D 82 -4.241 1.167 -3.070 1.00 0.00 H new ATOM 0 HD12 ILE D 82 -5.257 -0.117 -3.767 1.00 0.00 H new ATOM 0 HD13 ILE D 82 -5.020 1.409 -4.651 1.00 0.00 H new ATOM 1078 N LYS D 83 -10.781 1.306 -3.807 1.00 0.00 N ATOM 1079 CA LYS D 83 -12.060 1.351 -4.468 1.00 0.00 C ATOM 1080 C LYS D 83 -13.102 2.183 -3.749 1.00 0.00 C ATOM 1081 O LYS D 83 -13.779 2.958 -4.391 1.00 0.00 O ATOM 1082 CB LYS D 83 -12.495 -0.092 -4.644 1.00 0.00 C ATOM 1083 CG LYS D 83 -11.785 -0.779 -5.789 1.00 0.00 C ATOM 1084 CD LYS D 83 -12.228 -2.191 -5.990 1.00 0.00 C ATOM 1085 CE LYS D 83 -11.645 -2.851 -7.211 1.00 0.00 C ATOM 1086 NZ LYS D 83 -12.242 -2.441 -8.416 1.00 0.00 N ATOM 0 H LYS D 83 -10.493 0.357 -3.570 1.00 0.00 H new ATOM 0 HA LYS D 83 -11.958 1.859 -5.427 1.00 0.00 H new ATOM 0 HB2 LYS D 83 -12.303 -0.640 -3.722 1.00 0.00 H new ATOM 0 HB3 LYS D 83 -13.571 -0.125 -4.817 1.00 0.00 H new ATOM 0 HG2 LYS D 83 -11.958 -0.216 -6.706 1.00 0.00 H new ATOM 0 HG3 LYS D 83 -10.711 -0.764 -5.604 1.00 0.00 H new ATOM 0 HD2 LYS D 83 -11.956 -2.774 -5.110 1.00 0.00 H new ATOM 0 HD3 LYS D 83 -13.315 -2.212 -6.063 1.00 0.00 H new ATOM 0 HE2 LYS D 83 -10.577 -2.637 -7.254 1.00 0.00 H new ATOM 0 HE3 LYS D 83 -11.749 -3.932 -7.114 1.00 0.00 H new ATOM 0 HZ1 LYS D 83 -11.791 -2.935 -9.212 1.00 0.00 H new ATOM 0 HZ2 LYS D 83 -13.256 -2.669 -8.396 1.00 0.00 H new ATOM 0 HZ3 LYS D 83 -12.120 -1.415 -8.532 1.00 0.00 H new ATOM 1100 N ALA D 84 -13.166 2.078 -2.428 1.00 0.00 N ATOM 1101 CA ALA D 84 -14.059 2.874 -1.620 1.00 0.00 C ATOM 1102 C ALA D 84 -13.593 4.298 -1.408 1.00 0.00 C ATOM 1103 O ALA D 84 -14.390 5.193 -1.346 1.00 0.00 O ATOM 1104 CB ALA D 84 -14.261 2.163 -0.297 1.00 0.00 C ATOM 0 H ALA D 84 -12.591 1.430 -1.890 1.00 0.00 H new ATOM 0 HA ALA D 84 -15.002 2.969 -2.159 1.00 0.00 H new ATOM 0 HB1 ALA D 84 -14.934 2.747 0.331 1.00 0.00 H new ATOM 0 HB2 ALA D 84 -14.694 1.179 -0.475 1.00 0.00 H new ATOM 0 HB3 ALA D 84 -13.301 2.051 0.206 1.00 0.00 H new ATOM 1110 N GLY D 85 -12.300 4.536 -1.318 1.00 0.00 N ATOM 1111 CA GLY D 85 -11.638 5.796 -1.064 1.00 0.00 C ATOM 1112 C GLY D 85 -11.539 6.692 -2.282 1.00 0.00 C ATOM 1113 O GLY D 85 -11.337 7.879 -2.115 1.00 0.00 O ATOM 0 H GLY D 85 -11.625 3.780 -1.432 1.00 0.00 H new ATOM 0 HA2 GLY D 85 -12.175 6.326 -0.278 1.00 0.00 H new ATOM 0 HA3 GLY D 85 -10.634 5.599 -0.687 1.00 0.00 H new ATOM 1117 N GLY D 86 -11.675 6.154 -3.486 1.00 0.00 N ATOM 1118 CA GLY D 86 -11.641 6.891 -4.720 1.00 0.00 C ATOM 1119 C GLY D 86 -10.333 7.625 -4.956 1.00 0.00 C ATOM 1120 O GLY D 86 -10.344 8.822 -5.131 1.00 0.00 O ATOM 0 H GLY D 86 -11.817 5.153 -3.624 1.00 0.00 H new ATOM 0 HA2 GLY D 86 -11.817 6.204 -5.548 1.00 0.00 H new ATOM 0 HA3 GLY D 86 -12.458 7.612 -4.725 1.00 0.00 H new ATOM 1124 N TYR D 87 -9.215 6.930 -4.861 1.00 0.00 N ATOM 1125 CA TYR D 87 -7.894 7.492 -4.878 1.00 0.00 C ATOM 1126 C TYR D 87 -7.528 8.237 -6.122 1.00 0.00 C ATOM 1127 O TYR D 87 -6.611 8.985 -6.138 1.00 0.00 O ATOM 1128 CB TYR D 87 -6.896 6.389 -4.593 1.00 0.00 C ATOM 1129 CG TYR D 87 -6.392 6.333 -3.176 1.00 0.00 C ATOM 1130 CD1 TYR D 87 -5.586 7.297 -2.591 1.00 0.00 C ATOM 1131 CD2 TYR D 87 -6.736 5.177 -2.492 1.00 0.00 C ATOM 1132 CE1 TYR D 87 -5.042 7.016 -1.337 1.00 0.00 C ATOM 1133 CE2 TYR D 87 -6.194 4.884 -1.241 1.00 0.00 C ATOM 1134 CZ TYR D 87 -5.336 5.821 -0.668 1.00 0.00 C ATOM 1135 OH TYR D 87 -4.799 5.582 0.560 1.00 0.00 O ATOM 0 H TYR D 87 -9.212 5.914 -4.766 1.00 0.00 H new ATOM 0 HA TYR D 87 -7.874 8.256 -4.101 1.00 0.00 H new ATOM 0 HB2 TYR D 87 -7.357 5.432 -4.836 1.00 0.00 H new ATOM 0 HB3 TYR D 87 -6.043 6.511 -5.261 1.00 0.00 H new ATOM 0 HD1 TYR D 87 -5.386 8.234 -3.089 1.00 0.00 H new ATOM 0 HD2 TYR D 87 -7.439 4.489 -2.938 1.00 0.00 H new ATOM 0 HE1 TYR D 87 -4.382 7.734 -0.873 1.00 0.00 H new ATOM 0 HE2 TYR D 87 -6.431 3.961 -0.733 1.00 0.00 H new ATOM 0 HH TYR D 87 -5.353 6.007 1.248 1.00 0.00 H new