USER MOD reduce.3.24.130724 H: found=0, std=0, add=553, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 553 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 NoAdj-H: A 1 MET H1 : A 1 MET N : A 70 TRP C :(NH2R) USER MOD NoAdj-H: A 1 MET H2 : A 1 MET N : A 70 TRP C :(NH2R) USER MOD Single : A 1 MET CE :methyl 150:sc= -5.78! (180deg=-6.05!) USER MOD Single : A 1 MET N :NH3+ 121:sc= 0.809 (180deg=-0.484) USER MOD Single : A 3 LYS NZ :NH3+ 159:sc= -0.0703 (180deg=-0.685) USER MOD Single : A 14 THR OG1 : rot -140:sc= 0.0839 USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 65:sc= 0.718 USER MOD Single : A 30 SER OG : rot 180:sc= 0.026 USER MOD Single : A 33 THR OG1 : rot -73:sc= 0.581 USER MOD Single : A 37 SER OG : rot 180:sc= 0.0115 USER MOD Single : A 41 SER OG : rot 4:sc= 0.118 USER MOD Single : A 50 SER OG : rot -47:sc= 1.33 USER MOD Single : A 52 LYS NZ :NH3+ -126:sc= 0.3 (180deg=0) USER MOD Single : A 54 TYR OH : rot -48:sc= 0.092 USER MOD Single : A 56 LYS NZ :NH3+ 176:sc= -0.165 (180deg=-0.19) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ -164:sc= -0.0408 (180deg=-0.324) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ -128:sc= 1.32 (180deg=0.0776) USER MOD Single : A 64 LYS NZ :NH3+ 132:sc= -0.15 (180deg=-2.04!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.856 5.267 3.491 1.00 0.00 N ATOM 2 CA MET A 1 -3.407 5.569 3.505 1.00 0.00 C ATOM 3 C MET A 1 -3.133 7.051 3.773 1.00 0.00 C ATOM 4 O MET A 1 -2.366 7.376 4.679 1.00 0.00 O ATOM 5 CB MET A 1 -2.761 5.140 2.190 1.00 0.00 C ATOM 6 CG MET A 1 -2.218 3.714 2.292 1.00 0.00 C ATOM 7 SD MET A 1 -1.286 3.148 0.822 1.00 0.00 S ATOM 8 CE MET A 1 0.170 4.163 0.973 1.00 0.00 C ATOM 0 H3 MET A 1 -5.118 4.864 2.569 1.00 0.00 H new ATOM 0 HA MET A 1 -2.964 5.001 4.323 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.492 5.199 1.384 1.00 0.00 H new ATOM 0 HB3 MET A 1 -1.952 5.825 1.937 1.00 0.00 H new ATOM 0 HG2 MET A 1 -1.569 3.648 3.165 1.00 0.00 H new ATOM 0 HG3 MET A 1 -3.052 3.033 2.462 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.025 3.638 0.548 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.017 5.100 0.438 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.359 4.373 2.026 1.00 0.00 H new ATOM 18 N ALA A 2 -3.936 7.895 3.125 1.00 0.00 N ATOM 19 CA ALA A 2 -3.857 9.355 3.276 1.00 0.00 C ATOM 20 C ALA A 2 -3.977 9.804 4.747 1.00 0.00 C ATOM 21 O ALA A 2 -3.014 10.295 5.335 1.00 0.00 O ATOM 22 CB ALA A 2 -4.912 10.037 2.397 1.00 0.00 C ATOM 0 H ALA A 2 -4.663 7.589 2.478 1.00 0.00 H new ATOM 0 HA ALA A 2 -2.867 9.666 2.941 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -4.843 11.118 2.518 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -4.739 9.777 1.353 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -5.905 9.701 2.694 1.00 0.00 H new ATOM 28 N LYS A 3 -5.025 9.276 5.358 1.00 0.00 N ATOM 29 CA LYS A 3 -5.425 9.579 6.735 1.00 0.00 C ATOM 30 C LYS A 3 -4.512 8.951 7.809 1.00 0.00 C ATOM 31 O LYS A 3 -3.910 9.660 8.614 1.00 0.00 O ATOM 32 CB LYS A 3 -6.852 9.055 6.838 1.00 0.00 C ATOM 33 CG LYS A 3 -7.446 9.478 8.163 1.00 0.00 C ATOM 34 CD LYS A 3 -8.781 8.797 8.424 1.00 0.00 C ATOM 35 CE LYS A 3 -9.188 9.043 9.874 1.00 0.00 C ATOM 36 NZ LYS A 3 -9.207 10.487 10.131 1.00 0.00 N ATOM 0 H LYS A 3 -5.643 8.605 4.902 1.00 0.00 H new ATOM 0 HA LYS A 3 -5.345 10.648 6.931 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -7.454 9.443 6.016 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -6.859 7.968 6.754 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -6.751 9.236 8.967 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -7.581 10.560 8.173 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -9.542 9.187 7.748 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -8.702 7.727 8.231 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -10.172 8.614 10.066 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -8.488 8.550 10.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -9.803 10.684 10.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -8.239 10.820 10.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -9.592 10.982 9.302 1.00 0.00 H new ATOM 50 N GLU A 4 -4.432 7.630 7.791 1.00 0.00 N ATOM 51 CA GLU A 4 -3.809 6.833 8.872 1.00 0.00 C ATOM 52 C GLU A 4 -2.290 7.000 9.008 1.00 0.00 C ATOM 53 O GLU A 4 -1.749 7.046 10.101 1.00 0.00 O ATOM 54 CB GLU A 4 -4.157 5.367 8.641 1.00 0.00 C ATOM 55 CG GLU A 4 -4.225 4.598 9.962 1.00 0.00 C ATOM 56 CD GLU A 4 -4.718 3.174 9.712 1.00 0.00 C ATOM 57 OE1 GLU A 4 -3.881 2.330 9.339 1.00 0.00 O ATOM 58 OE2 GLU A 4 -5.941 2.965 9.826 1.00 0.00 O ATOM 0 H GLU A 4 -4.796 7.062 7.026 1.00 0.00 H new ATOM 0 HA GLU A 4 -4.214 7.206 9.813 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -5.115 5.295 8.126 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -3.410 4.912 7.990 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -3.241 4.574 10.430 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -4.895 5.107 10.655 1.00 0.00 H new ATOM 65 N PHE A 5 -1.636 7.015 7.844 1.00 0.00 N ATOM 66 CA PHE A 5 -0.169 7.034 7.784 1.00 0.00 C ATOM 67 C PHE A 5 0.494 8.388 7.519 1.00 0.00 C ATOM 68 O PHE A 5 1.667 8.555 7.836 1.00 0.00 O ATOM 69 CB PHE A 5 0.332 6.023 6.748 1.00 0.00 C ATOM 70 CG PHE A 5 -0.025 4.581 7.094 1.00 0.00 C ATOM 71 CD1 PHE A 5 0.562 3.956 8.221 1.00 0.00 C ATOM 72 CD2 PHE A 5 -0.931 3.883 6.263 1.00 0.00 C ATOM 73 CE1 PHE A 5 0.264 2.606 8.502 1.00 0.00 C ATOM 74 CE2 PHE A 5 -1.231 2.534 6.554 1.00 0.00 C ATOM 75 CZ PHE A 5 -0.628 1.901 7.664 1.00 0.00 C ATOM 0 H PHE A 5 -2.095 7.014 6.933 1.00 0.00 H new ATOM 0 HA PHE A 5 0.131 6.769 8.798 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -0.090 6.271 5.774 1.00 0.00 H new ATOM 0 HB3 PHE A 5 1.415 6.111 6.658 1.00 0.00 H new ATOM 0 HD1 PHE A 5 1.233 4.509 8.861 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -1.388 4.375 5.417 1.00 0.00 H new ATOM 0 HE1 PHE A 5 0.715 2.115 9.352 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -1.921 1.987 5.929 1.00 0.00 H new ATOM 0 HZ PHE A 5 -0.852 0.866 7.874 1.00 0.00 H new ATOM 85 N GLY A 6 -0.294 9.332 6.990 1.00 0.00 N ATOM 86 CA GLY A 6 0.209 10.647 6.545 1.00 0.00 C ATOM 87 C GLY A 6 0.795 10.576 5.118 1.00 0.00 C ATOM 88 O GLY A 6 1.964 10.862 4.879 1.00 0.00 O ATOM 0 H GLY A 6 -1.298 9.211 6.856 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -0.602 11.375 6.571 1.00 0.00 H new ATOM 0 HA3 GLY A 6 0.975 10.998 7.237 1.00 0.00 H new ATOM 92 N ILE A 7 -0.077 10.139 4.209 1.00 0.00 N ATOM 93 CA ILE A 7 0.210 10.018 2.761 1.00 0.00 C ATOM 94 C ILE A 7 -0.682 10.978 1.948 1.00 0.00 C ATOM 95 O ILE A 7 -1.752 11.373 2.394 1.00 0.00 O ATOM 96 CB ILE A 7 0.048 8.508 2.434 1.00 0.00 C ATOM 97 CG1 ILE A 7 1.404 7.812 2.483 1.00 0.00 C ATOM 98 CG2 ILE A 7 -0.695 8.139 1.147 1.00 0.00 C ATOM 99 CD1 ILE A 7 1.342 6.612 3.430 1.00 0.00 C ATOM 0 H ILE A 7 -1.024 9.851 4.453 1.00 0.00 H new ATOM 0 HA ILE A 7 1.218 10.326 2.485 1.00 0.00 H new ATOM 0 HB ILE A 7 -0.618 8.148 3.218 1.00 0.00 H new ATOM 0 HG12 ILE A 7 1.689 7.483 1.484 1.00 0.00 H new ATOM 0 HG13 ILE A 7 2.169 8.512 2.819 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -0.733 7.054 1.047 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -1.710 8.535 1.186 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -0.172 8.564 0.290 1.00 0.00 H new ATOM 0 HD11 ILE A 7 2.315 6.121 3.459 1.00 0.00 H new ATOM 0 HD12 ILE A 7 1.077 6.952 4.431 1.00 0.00 H new ATOM 0 HD13 ILE A 7 0.590 5.907 3.075 1.00 0.00 H new ATOM 111 N PRO A 8 -0.180 11.443 0.804 1.00 0.00 N ATOM 112 CA PRO A 8 -1.072 11.975 -0.231 1.00 0.00 C ATOM 113 C PRO A 8 -1.524 10.838 -1.150 1.00 0.00 C ATOM 114 O PRO A 8 -0.772 9.898 -1.422 1.00 0.00 O ATOM 115 CB PRO A 8 -0.234 13.004 -0.998 1.00 0.00 C ATOM 116 CG PRO A 8 1.165 12.410 -0.875 1.00 0.00 C ATOM 117 CD PRO A 8 1.202 11.878 0.554 1.00 0.00 C ATOM 0 HA PRO A 8 -1.972 12.430 0.183 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -0.550 13.098 -2.037 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -0.298 13.998 -0.555 1.00 0.00 H new ATOM 0 HG2 PRO A 8 1.329 11.616 -1.603 1.00 0.00 H new ATOM 0 HG3 PRO A 8 1.936 13.162 -1.044 1.00 0.00 H new ATOM 0 HD2 PRO A 8 1.906 11.052 0.655 1.00 0.00 H new ATOM 0 HD3 PRO A 8 1.512 12.649 1.260 1.00 0.00 H new ATOM 125 N ALA A 9 -2.710 11.017 -1.721 1.00 0.00 N ATOM 126 CA ALA A 9 -3.279 10.072 -2.702 1.00 0.00 C ATOM 127 C ALA A 9 -2.347 9.702 -3.876 1.00 0.00 C ATOM 128 O ALA A 9 -2.358 8.561 -4.338 1.00 0.00 O ATOM 129 CB ALA A 9 -4.592 10.646 -3.246 1.00 0.00 C ATOM 0 H ALA A 9 -3.311 11.817 -1.524 1.00 0.00 H new ATOM 0 HA ALA A 9 -3.438 9.140 -2.160 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -5.019 9.954 -3.972 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -5.294 10.790 -2.425 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -4.398 11.604 -3.729 1.00 0.00 H new ATOM 135 N ALA A 10 -1.445 10.638 -4.178 1.00 0.00 N ATOM 136 CA ALA A 10 -0.300 10.485 -5.102 1.00 0.00 C ATOM 137 C ALA A 10 0.411 9.131 -4.932 1.00 0.00 C ATOM 138 O ALA A 10 0.365 8.301 -5.833 1.00 0.00 O ATOM 139 CB ALA A 10 0.679 11.625 -4.820 1.00 0.00 C ATOM 0 H ALA A 10 -1.488 11.572 -3.769 1.00 0.00 H new ATOM 0 HA ALA A 10 -0.666 10.519 -6.128 1.00 0.00 H new ATOM 0 HB1 ALA A 10 1.537 11.541 -5.487 1.00 0.00 H new ATOM 0 HB2 ALA A 10 0.182 12.581 -4.987 1.00 0.00 H new ATOM 0 HB3 ALA A 10 1.016 11.567 -3.785 1.00 0.00 H new ATOM 145 N VAL A 11 0.853 8.852 -3.707 1.00 0.00 N ATOM 146 CA VAL A 11 1.672 7.651 -3.434 1.00 0.00 C ATOM 147 C VAL A 11 0.855 6.388 -3.089 1.00 0.00 C ATOM 148 O VAL A 11 1.240 5.279 -3.460 1.00 0.00 O ATOM 149 CB VAL A 11 2.782 7.956 -2.403 1.00 0.00 C ATOM 150 CG1 VAL A 11 3.664 9.098 -2.872 1.00 0.00 C ATOM 151 CG2 VAL A 11 2.235 8.292 -1.024 1.00 0.00 C ATOM 0 H VAL A 11 0.665 9.430 -2.888 1.00 0.00 H new ATOM 0 HA VAL A 11 2.158 7.396 -4.376 1.00 0.00 H new ATOM 0 HB VAL A 11 3.368 7.040 -2.321 1.00 0.00 H new ATOM 0 HG11 VAL A 11 4.436 9.291 -2.127 1.00 0.00 H new ATOM 0 HG12 VAL A 11 4.132 8.831 -3.819 1.00 0.00 H new ATOM 0 HG13 VAL A 11 3.058 9.994 -3.007 1.00 0.00 H new ATOM 0 HG21 VAL A 11 3.062 8.496 -0.344 1.00 0.00 H new ATOM 0 HG22 VAL A 11 1.595 9.171 -1.091 1.00 0.00 H new ATOM 0 HG23 VAL A 11 1.656 7.449 -0.647 1.00 0.00 H new ATOM 161 N ALA A 12 -0.310 6.586 -2.498 1.00 0.00 N ATOM 162 CA ALA A 12 -1.269 5.496 -2.229 1.00 0.00 C ATOM 163 C ALA A 12 -1.830 4.854 -3.519 1.00 0.00 C ATOM 164 O ALA A 12 -2.052 3.648 -3.557 1.00 0.00 O ATOM 165 CB ALA A 12 -2.396 5.974 -1.329 1.00 0.00 C ATOM 0 H ALA A 12 -0.631 7.503 -2.186 1.00 0.00 H new ATOM 0 HA ALA A 12 -0.712 4.716 -1.710 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -3.089 5.153 -1.146 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -1.983 6.319 -0.381 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -2.926 6.794 -1.814 1.00 0.00 H new ATOM 171 N GLY A 13 -1.959 5.671 -4.562 1.00 0.00 N ATOM 172 CA GLY A 13 -2.344 5.226 -5.912 1.00 0.00 C ATOM 173 C GLY A 13 -1.284 4.318 -6.567 1.00 0.00 C ATOM 174 O GLY A 13 -1.608 3.306 -7.204 1.00 0.00 O ATOM 0 H GLY A 13 -1.798 6.676 -4.499 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -3.291 4.689 -5.856 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -2.509 6.099 -6.544 1.00 0.00 H new ATOM 178 N THR A 14 -0.021 4.684 -6.366 1.00 0.00 N ATOM 179 CA THR A 14 1.148 3.881 -6.783 1.00 0.00 C ATOM 180 C THR A 14 1.183 2.502 -6.114 1.00 0.00 C ATOM 181 O THR A 14 1.370 1.487 -6.780 1.00 0.00 O ATOM 182 CB THR A 14 2.406 4.706 -6.444 1.00 0.00 C ATOM 183 OG1 THR A 14 2.138 6.108 -6.576 1.00 0.00 O ATOM 184 CG2 THR A 14 3.559 4.354 -7.396 1.00 0.00 C ATOM 0 H THR A 14 0.233 5.557 -5.903 1.00 0.00 H new ATOM 0 HA THR A 14 1.094 3.677 -7.852 1.00 0.00 H new ATOM 0 HB THR A 14 2.684 4.470 -5.417 1.00 0.00 H new ATOM 0 HG1 THR A 14 2.911 6.552 -6.983 1.00 0.00 H new ATOM 0 HG21 THR A 14 4.437 4.947 -7.139 1.00 0.00 H new ATOM 0 HG22 THR A 14 3.797 3.294 -7.303 1.00 0.00 H new ATOM 0 HG23 THR A 14 3.262 4.570 -8.422 1.00 0.00 H new ATOM 192 N VAL A 15 0.843 2.458 -4.830 1.00 0.00 N ATOM 193 CA VAL A 15 0.586 1.208 -4.079 1.00 0.00 C ATOM 194 C VAL A 15 -0.482 0.317 -4.746 1.00 0.00 C ATOM 195 O VAL A 15 -0.302 -0.893 -4.853 1.00 0.00 O ATOM 196 CB VAL A 15 0.235 1.584 -2.615 1.00 0.00 C ATOM 197 CG1 VAL A 15 -0.465 0.483 -1.800 1.00 0.00 C ATOM 198 CG2 VAL A 15 1.481 2.062 -1.874 1.00 0.00 C ATOM 0 H VAL A 15 0.733 3.298 -4.261 1.00 0.00 H new ATOM 0 HA VAL A 15 1.486 0.593 -4.084 1.00 0.00 H new ATOM 0 HB VAL A 15 -0.497 2.387 -2.704 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -0.666 0.848 -0.793 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -1.405 0.215 -2.283 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.179 -0.395 -1.746 1.00 0.00 H new ATOM 0 HG21 VAL A 15 1.217 2.322 -0.849 1.00 0.00 H new ATOM 0 HG22 VAL A 15 2.227 1.267 -1.867 1.00 0.00 H new ATOM 0 HG23 VAL A 15 1.889 2.939 -2.377 1.00 0.00 H new ATOM 208 N LEU A 16 -1.567 0.929 -5.209 1.00 0.00 N ATOM 209 CA LEU A 16 -2.643 0.208 -5.927 1.00 0.00 C ATOM 210 C LEU A 16 -2.180 -0.484 -7.212 1.00 0.00 C ATOM 211 O LEU A 16 -2.574 -1.623 -7.468 1.00 0.00 O ATOM 212 CB LEU A 16 -3.800 1.156 -6.269 1.00 0.00 C ATOM 213 CG LEU A 16 -4.422 1.852 -5.045 1.00 0.00 C ATOM 214 CD1 LEU A 16 -5.558 2.762 -5.513 1.00 0.00 C ATOM 215 CD2 LEU A 16 -4.913 0.872 -3.984 1.00 0.00 C ATOM 0 H LEU A 16 -1.736 1.929 -5.105 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.971 -0.571 -5.238 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -3.440 1.916 -6.963 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -4.576 0.593 -6.787 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.641 2.442 -4.565 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -6.004 3.259 -4.652 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.165 3.511 -6.201 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -6.316 2.166 -6.021 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -5.340 1.425 -3.148 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -5.673 0.220 -4.415 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -4.076 0.269 -3.631 1.00 0.00 H new ATOM 227 N ASN A 17 -1.290 0.188 -7.940 1.00 0.00 N ATOM 228 CA ASN A 17 -0.616 -0.377 -9.131 1.00 0.00 C ATOM 229 C ASN A 17 0.035 -1.744 -8.829 1.00 0.00 C ATOM 230 O ASN A 17 -0.290 -2.747 -9.477 1.00 0.00 O ATOM 231 CB ASN A 17 0.450 0.615 -9.620 1.00 0.00 C ATOM 232 CG ASN A 17 1.099 0.167 -10.923 1.00 0.00 C ATOM 233 OD1 ASN A 17 2.087 -0.552 -10.960 1.00 0.00 O ATOM 234 ND2 ASN A 17 0.492 0.518 -12.039 1.00 0.00 N ATOM 0 H ASN A 17 -1.008 1.145 -7.728 1.00 0.00 H new ATOM 0 HA ASN A 17 -1.366 -0.538 -9.905 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -0.006 1.595 -9.761 1.00 0.00 H new ATOM 0 HB3 ASN A 17 1.217 0.728 -8.854 1.00 0.00 H new ATOM 0 HD21 ASN A 17 0.846 0.190 -12.937 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -0.332 1.118 -12.004 1.00 0.00 H new ATOM 241 N VAL A 18 0.783 -1.767 -7.724 1.00 0.00 N ATOM 242 CA VAL A 18 1.413 -2.989 -7.169 1.00 0.00 C ATOM 243 C VAL A 18 0.418 -4.165 -7.045 1.00 0.00 C ATOM 244 O VAL A 18 0.663 -5.236 -7.585 1.00 0.00 O ATOM 245 CB VAL A 18 2.149 -2.642 -5.863 1.00 0.00 C ATOM 246 CG1 VAL A 18 2.075 -3.635 -4.694 1.00 0.00 C ATOM 247 CG2 VAL A 18 3.618 -2.391 -6.198 1.00 0.00 C ATOM 0 H VAL A 18 0.977 -0.930 -7.174 1.00 0.00 H new ATOM 0 HA VAL A 18 2.161 -3.355 -7.872 1.00 0.00 H new ATOM 0 HB VAL A 18 1.613 -1.771 -5.485 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.644 -3.246 -3.849 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.035 -3.772 -4.399 1.00 0.00 H new ATOM 0 HG13 VAL A 18 2.494 -4.593 -5.003 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.162 -2.143 -5.287 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.048 -3.288 -6.644 1.00 0.00 H new ATOM 0 HG23 VAL A 18 3.694 -1.563 -6.903 1.00 0.00 H new ATOM 257 N VAL A 19 -0.726 -3.857 -6.445 1.00 0.00 N ATOM 258 CA VAL A 19 -1.787 -4.849 -6.169 1.00 0.00 C ATOM 259 C VAL A 19 -2.397 -5.372 -7.494 1.00 0.00 C ATOM 260 O VAL A 19 -2.295 -6.561 -7.800 1.00 0.00 O ATOM 261 CB VAL A 19 -2.890 -4.271 -5.270 1.00 0.00 C ATOM 262 CG1 VAL A 19 -3.722 -5.408 -4.670 1.00 0.00 C ATOM 263 CG2 VAL A 19 -2.332 -3.484 -4.080 1.00 0.00 C ATOM 0 H VAL A 19 -0.955 -2.914 -6.131 1.00 0.00 H new ATOM 0 HA VAL A 19 -1.326 -5.680 -5.635 1.00 0.00 H new ATOM 0 HB VAL A 19 -3.479 -3.610 -5.907 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -4.502 -4.991 -4.033 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -4.179 -5.987 -5.472 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -3.078 -6.056 -4.076 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -3.156 -3.099 -3.480 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.713 -4.140 -3.468 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -1.729 -2.652 -4.444 1.00 0.00 H new ATOM 273 N GLU A 20 -2.788 -4.417 -8.338 1.00 0.00 N ATOM 274 CA GLU A 20 -3.477 -4.646 -9.622 1.00 0.00 C ATOM 275 C GLU A 20 -2.670 -5.490 -10.632 1.00 0.00 C ATOM 276 O GLU A 20 -3.246 -6.307 -11.346 1.00 0.00 O ATOM 277 CB GLU A 20 -3.728 -3.254 -10.209 1.00 0.00 C ATOM 278 CG GLU A 20 -5.019 -2.635 -9.642 1.00 0.00 C ATOM 279 CD GLU A 20 -5.180 -1.172 -10.073 1.00 0.00 C ATOM 280 OE1 GLU A 20 -4.502 -0.318 -9.465 1.00 0.00 O ATOM 281 OE2 GLU A 20 -6.021 -0.935 -10.982 1.00 0.00 O ATOM 0 H GLU A 20 -2.632 -3.427 -8.146 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.387 -5.216 -9.438 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -2.882 -2.604 -9.986 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -3.800 -3.322 -11.294 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -5.879 -3.212 -9.982 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -5.004 -2.695 -8.554 1.00 0.00 H new ATOM 288 N ALA A 21 -1.367 -5.241 -10.662 1.00 0.00 N ATOM 289 CA ALA A 21 -0.436 -5.840 -11.632 1.00 0.00 C ATOM 290 C ALA A 21 0.462 -6.975 -11.124 1.00 0.00 C ATOM 291 O ALA A 21 0.991 -7.738 -11.934 1.00 0.00 O ATOM 292 CB ALA A 21 0.419 -4.716 -12.217 1.00 0.00 C ATOM 0 H ALA A 21 -0.912 -4.607 -10.005 1.00 0.00 H new ATOM 0 HA ALA A 21 -1.063 -6.332 -12.375 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.120 -5.131 -12.941 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -0.225 -3.989 -12.711 1.00 0.00 H new ATOM 0 HB3 ALA A 21 0.972 -4.225 -11.416 1.00 0.00 H new ATOM 298 N GLY A 22 0.587 -7.121 -9.801 1.00 0.00 N ATOM 299 CA GLY A 22 1.578 -8.022 -9.176 1.00 0.00 C ATOM 300 C GLY A 22 3.024 -7.513 -9.367 1.00 0.00 C ATOM 301 O GLY A 22 3.958 -8.300 -9.532 1.00 0.00 O ATOM 0 H GLY A 22 0.007 -6.621 -9.128 1.00 0.00 H new ATOM 0 HA2 GLY A 22 1.364 -8.114 -8.111 1.00 0.00 H new ATOM 0 HA3 GLY A 22 1.485 -9.019 -9.607 1.00 0.00 H new ATOM 305 N GLY A 23 3.183 -6.217 -9.100 1.00 0.00 N ATOM 306 CA GLY A 23 4.393 -5.444 -9.460 1.00 0.00 C ATOM 307 C GLY A 23 5.351 -5.176 -8.282 1.00 0.00 C ATOM 308 O GLY A 23 4.992 -5.267 -7.111 1.00 0.00 O ATOM 0 H GLY A 23 2.474 -5.660 -8.623 1.00 0.00 H new ATOM 0 HA2 GLY A 23 4.935 -5.982 -10.238 1.00 0.00 H new ATOM 0 HA3 GLY A 23 4.086 -4.489 -9.887 1.00 0.00 H new ATOM 312 N TRP A 24 6.538 -4.713 -8.670 1.00 0.00 N ATOM 313 CA TRP A 24 7.642 -4.400 -7.742 1.00 0.00 C ATOM 314 C TRP A 24 7.278 -3.276 -6.768 1.00 0.00 C ATOM 315 O TRP A 24 7.144 -2.110 -7.118 1.00 0.00 O ATOM 316 CB TRP A 24 8.909 -3.996 -8.510 1.00 0.00 C ATOM 317 CG TRP A 24 9.354 -5.041 -9.534 1.00 0.00 C ATOM 318 CD1 TRP A 24 9.124 -4.943 -10.843 1.00 0.00 C ATOM 319 CD2 TRP A 24 9.893 -6.309 -9.298 1.00 0.00 C ATOM 320 NE1 TRP A 24 9.435 -6.096 -11.449 1.00 0.00 N ATOM 321 CE2 TRP A 24 9.894 -6.954 -10.547 1.00 0.00 C ATOM 322 CE3 TRP A 24 10.429 -6.946 -8.160 1.00 0.00 C ATOM 323 CZ2 TRP A 24 10.421 -8.262 -10.678 1.00 0.00 C ATOM 324 CZ3 TRP A 24 10.963 -8.242 -8.290 1.00 0.00 C ATOM 325 CH2 TRP A 24 10.948 -8.902 -9.541 1.00 0.00 C ATOM 0 H TRP A 24 6.771 -4.540 -9.648 1.00 0.00 H new ATOM 0 HA TRP A 24 7.828 -5.310 -7.171 1.00 0.00 H new ATOM 0 HB2 TRP A 24 8.730 -3.050 -9.021 1.00 0.00 H new ATOM 0 HB3 TRP A 24 9.718 -3.826 -7.799 1.00 0.00 H new ATOM 0 HD1 TRP A 24 8.743 -4.064 -11.341 1.00 0.00 H new ATOM 0 HE1 TRP A 24 9.335 -6.285 -12.446 1.00 0.00 H new ATOM 0 HE3 TRP A 24 10.430 -6.447 -7.202 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 10.418 -8.761 -11.636 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 11.387 -8.736 -7.428 1.00 0.00 H new ATOM 0 HH2 TRP A 24 11.344 -9.904 -9.624 1.00 0.00 H new ATOM 336 N VAL A 25 7.052 -3.699 -5.525 1.00 0.00 N ATOM 337 CA VAL A 25 6.933 -2.745 -4.406 1.00 0.00 C ATOM 338 C VAL A 25 8.173 -1.838 -4.227 1.00 0.00 C ATOM 339 O VAL A 25 8.023 -0.710 -3.784 1.00 0.00 O ATOM 340 CB VAL A 25 6.527 -3.492 -3.117 1.00 0.00 C ATOM 341 CG1 VAL A 25 7.690 -4.171 -2.382 1.00 0.00 C ATOM 342 CG2 VAL A 25 5.770 -2.559 -2.174 1.00 0.00 C ATOM 0 H VAL A 25 6.948 -4.679 -5.262 1.00 0.00 H new ATOM 0 HA VAL A 25 6.135 -2.044 -4.653 1.00 0.00 H new ATOM 0 HB VAL A 25 5.874 -4.302 -3.442 1.00 0.00 H new ATOM 0 HG11 VAL A 25 7.314 -4.671 -1.489 1.00 0.00 H new ATOM 0 HG12 VAL A 25 8.157 -4.904 -3.039 1.00 0.00 H new ATOM 0 HG13 VAL A 25 8.426 -3.421 -2.094 1.00 0.00 H new ATOM 0 HG21 VAL A 25 5.492 -3.102 -1.271 1.00 0.00 H new ATOM 0 HG22 VAL A 25 6.407 -1.715 -1.908 1.00 0.00 H new ATOM 0 HG23 VAL A 25 4.871 -2.193 -2.669 1.00 0.00 H new ATOM 352 N THR A 26 9.336 -2.284 -4.705 1.00 0.00 N ATOM 353 CA THR A 26 10.609 -1.521 -4.604 1.00 0.00 C ATOM 354 C THR A 26 10.521 -0.108 -5.203 1.00 0.00 C ATOM 355 O THR A 26 10.849 0.859 -4.512 1.00 0.00 O ATOM 356 CB THR A 26 11.847 -2.302 -5.091 1.00 0.00 C ATOM 357 OG1 THR A 26 12.976 -1.422 -5.206 1.00 0.00 O ATOM 358 CG2 THR A 26 11.647 -3.049 -6.411 1.00 0.00 C ATOM 0 H THR A 26 9.436 -3.183 -5.176 1.00 0.00 H new ATOM 0 HA THR A 26 10.762 -1.383 -3.534 1.00 0.00 H new ATOM 0 HB THR A 26 12.025 -3.065 -4.333 1.00 0.00 H new ATOM 0 HG1 THR A 26 13.756 -1.929 -5.514 1.00 0.00 H new ATOM 0 HG21 THR A 26 12.567 -3.570 -6.677 1.00 0.00 H new ATOM 0 HG22 THR A 26 10.839 -3.773 -6.301 1.00 0.00 H new ATOM 0 HG23 THR A 26 11.392 -2.338 -7.197 1.00 0.00 H new ATOM 366 N THR A 27 9.898 0.004 -6.381 1.00 0.00 N ATOM 367 CA THR A 27 9.626 1.289 -7.047 1.00 0.00 C ATOM 368 C THR A 27 8.639 2.157 -6.254 1.00 0.00 C ATOM 369 O THR A 27 8.857 3.348 -6.043 1.00 0.00 O ATOM 370 CB THR A 27 9.030 1.063 -8.447 1.00 0.00 C ATOM 371 OG1 THR A 27 8.766 -0.329 -8.676 1.00 0.00 O ATOM 372 CG2 THR A 27 9.948 1.623 -9.530 1.00 0.00 C ATOM 0 H THR A 27 9.563 -0.803 -6.908 1.00 0.00 H new ATOM 0 HA THR A 27 10.585 1.804 -7.114 1.00 0.00 H new ATOM 0 HB THR A 27 8.083 1.600 -8.495 1.00 0.00 H new ATOM 0 HG1 THR A 27 8.067 -0.635 -8.061 1.00 0.00 H new ATOM 0 HG21 THR A 27 9.503 1.450 -10.510 1.00 0.00 H new ATOM 0 HG22 THR A 27 10.081 2.694 -9.376 1.00 0.00 H new ATOM 0 HG23 THR A 27 10.917 1.126 -9.479 1.00 0.00 H new ATOM 380 N ILE A 28 7.577 1.506 -5.793 1.00 0.00 N ATOM 381 CA ILE A 28 6.520 2.110 -4.959 1.00 0.00 C ATOM 382 C ILE A 28 7.086 2.674 -3.633 1.00 0.00 C ATOM 383 O ILE A 28 6.873 3.844 -3.326 1.00 0.00 O ATOM 384 CB ILE A 28 5.409 1.040 -4.820 1.00 0.00 C ATOM 385 CG1 ILE A 28 4.406 1.145 -5.985 1.00 0.00 C ATOM 386 CG2 ILE A 28 4.635 1.020 -3.494 1.00 0.00 C ATOM 387 CD1 ILE A 28 4.938 0.711 -7.362 1.00 0.00 C ATOM 0 H ILE A 28 7.414 0.518 -5.988 1.00 0.00 H new ATOM 0 HA ILE A 28 6.081 2.996 -5.418 1.00 0.00 H new ATOM 0 HB ILE A 28 5.960 0.100 -4.842 1.00 0.00 H new ATOM 0 HG12 ILE A 28 3.533 0.538 -5.745 1.00 0.00 H new ATOM 0 HG13 ILE A 28 4.066 2.178 -6.056 1.00 0.00 H new ATOM 0 HG21 ILE A 28 3.887 0.228 -3.521 1.00 0.00 H new ATOM 0 HG22 ILE A 28 5.327 0.837 -2.672 1.00 0.00 H new ATOM 0 HG23 ILE A 28 4.141 1.981 -3.346 1.00 0.00 H new ATOM 0 HD11 ILE A 28 4.152 0.825 -8.108 1.00 0.00 H new ATOM 0 HD12 ILE A 28 5.790 1.333 -7.635 1.00 0.00 H new ATOM 0 HD13 ILE A 28 5.249 -0.333 -7.319 1.00 0.00 H new ATOM 399 N VAL A 29 7.947 1.886 -2.987 1.00 0.00 N ATOM 400 CA VAL A 29 8.621 2.254 -1.723 1.00 0.00 C ATOM 401 C VAL A 29 9.362 3.605 -1.822 1.00 0.00 C ATOM 402 O VAL A 29 9.184 4.466 -0.953 1.00 0.00 O ATOM 403 CB VAL A 29 9.539 1.087 -1.281 1.00 0.00 C ATOM 404 CG1 VAL A 29 10.500 1.436 -0.127 1.00 0.00 C ATOM 405 CG2 VAL A 29 8.714 -0.128 -0.849 1.00 0.00 C ATOM 0 H VAL A 29 8.205 0.959 -3.325 1.00 0.00 H new ATOM 0 HA VAL A 29 7.868 2.409 -0.950 1.00 0.00 H new ATOM 0 HB VAL A 29 10.140 0.867 -2.163 1.00 0.00 H new ATOM 0 HG11 VAL A 29 11.105 0.563 0.119 1.00 0.00 H new ATOM 0 HG12 VAL A 29 11.151 2.255 -0.431 1.00 0.00 H new ATOM 0 HG13 VAL A 29 9.924 1.736 0.748 1.00 0.00 H new ATOM 0 HG21 VAL A 29 9.383 -0.932 -0.544 1.00 0.00 H new ATOM 0 HG22 VAL A 29 8.072 0.147 -0.012 1.00 0.00 H new ATOM 0 HG23 VAL A 29 8.098 -0.465 -1.683 1.00 0.00 H new ATOM 415 N SER A 30 10.082 3.830 -2.924 1.00 0.00 N ATOM 416 CA SER A 30 10.772 5.120 -3.181 1.00 0.00 C ATOM 417 C SER A 30 9.802 6.313 -3.227 1.00 0.00 C ATOM 418 O SER A 30 10.016 7.321 -2.559 1.00 0.00 O ATOM 419 CB SER A 30 11.485 5.152 -4.539 1.00 0.00 C ATOM 420 OG SER A 30 11.998 3.871 -4.877 1.00 0.00 O ATOM 0 H SER A 30 10.209 3.138 -3.663 1.00 0.00 H new ATOM 0 HA SER A 30 11.476 5.200 -2.353 1.00 0.00 H new ATOM 0 HB2 SER A 30 10.790 5.484 -5.310 1.00 0.00 H new ATOM 0 HB3 SER A 30 12.299 5.877 -4.509 1.00 0.00 H new ATOM 0 HG SER A 30 12.446 3.917 -5.747 1.00 0.00 H new ATOM 426 N ILE A 31 8.669 6.102 -3.901 1.00 0.00 N ATOM 427 CA ILE A 31 7.643 7.148 -4.122 1.00 0.00 C ATOM 428 C ILE A 31 6.962 7.498 -2.778 1.00 0.00 C ATOM 429 O ILE A 31 6.808 8.665 -2.440 1.00 0.00 O ATOM 430 CB ILE A 31 6.643 6.630 -5.193 1.00 0.00 C ATOM 431 CG1 ILE A 31 7.317 6.127 -6.489 1.00 0.00 C ATOM 432 CG2 ILE A 31 5.539 7.645 -5.528 1.00 0.00 C ATOM 433 CD1 ILE A 31 8.270 7.120 -7.192 1.00 0.00 C ATOM 0 H ILE A 31 8.428 5.201 -4.314 1.00 0.00 H new ATOM 0 HA ILE A 31 8.087 8.071 -4.495 1.00 0.00 H new ATOM 0 HB ILE A 31 6.176 5.767 -4.718 1.00 0.00 H new ATOM 0 HG12 ILE A 31 7.877 5.222 -6.255 1.00 0.00 H new ATOM 0 HG13 ILE A 31 6.535 5.845 -7.194 1.00 0.00 H new ATOM 0 HG21 ILE A 31 4.874 7.224 -6.282 1.00 0.00 H new ATOM 0 HG22 ILE A 31 4.969 7.873 -4.627 1.00 0.00 H new ATOM 0 HG23 ILE A 31 5.990 8.559 -5.913 1.00 0.00 H new ATOM 0 HD11 ILE A 31 8.682 6.656 -8.088 1.00 0.00 H new ATOM 0 HD12 ILE A 31 7.719 8.019 -7.469 1.00 0.00 H new ATOM 0 HD13 ILE A 31 9.082 7.386 -6.515 1.00 0.00 H new ATOM 445 N LEU A 32 6.742 6.460 -1.980 1.00 0.00 N ATOM 446 CA LEU A 32 6.181 6.520 -0.620 1.00 0.00 C ATOM 447 C LEU A 32 7.086 7.285 0.360 1.00 0.00 C ATOM 448 O LEU A 32 6.633 8.154 1.097 1.00 0.00 O ATOM 449 CB LEU A 32 5.956 5.086 -0.128 1.00 0.00 C ATOM 450 CG LEU A 32 4.581 4.482 -0.449 1.00 0.00 C ATOM 451 CD1 LEU A 32 3.509 5.108 0.433 1.00 0.00 C ATOM 452 CD2 LEU A 32 4.178 4.548 -1.930 1.00 0.00 C ATOM 0 H LEU A 32 6.957 5.506 -2.269 1.00 0.00 H new ATOM 0 HA LEU A 32 5.240 7.068 -0.660 1.00 0.00 H new ATOM 0 HB2 LEU A 32 6.724 4.447 -0.563 1.00 0.00 H new ATOM 0 HB3 LEU A 32 6.099 5.065 0.952 1.00 0.00 H new ATOM 0 HG LEU A 32 4.670 3.418 -0.228 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.540 4.670 0.194 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.744 4.920 1.481 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.475 6.183 0.257 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.194 4.098 -2.060 1.00 0.00 H new ATOM 0 HD22 LEU A 32 4.147 5.589 -2.252 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.907 4.004 -2.530 1.00 0.00 H new ATOM 464 N THR A 33 8.359 6.888 0.399 1.00 0.00 N ATOM 465 CA THR A 33 9.364 7.503 1.282 1.00 0.00 C ATOM 466 C THR A 33 9.765 8.931 0.884 1.00 0.00 C ATOM 467 O THR A 33 10.148 9.712 1.747 1.00 0.00 O ATOM 468 CB THR A 33 10.646 6.691 1.406 1.00 0.00 C ATOM 469 OG1 THR A 33 11.192 6.324 0.140 1.00 0.00 O ATOM 470 CG2 THR A 33 10.422 5.478 2.334 1.00 0.00 C ATOM 0 H THR A 33 8.727 6.132 -0.178 1.00 0.00 H new ATOM 0 HA THR A 33 8.846 7.529 2.240 1.00 0.00 H new ATOM 0 HB THR A 33 11.402 7.328 1.866 1.00 0.00 H new ATOM 0 HG1 THR A 33 10.637 5.625 -0.265 1.00 0.00 H new ATOM 0 HG21 THR A 33 11.346 4.906 2.414 1.00 0.00 H new ATOM 0 HG22 THR A 33 10.124 5.827 3.323 1.00 0.00 H new ATOM 0 HG23 THR A 33 9.637 4.844 1.921 1.00 0.00 H new ATOM 478 N ALA A 34 9.685 9.237 -0.409 1.00 0.00 N ATOM 479 CA ALA A 34 9.842 10.607 -0.951 1.00 0.00 C ATOM 480 C ALA A 34 8.927 11.659 -0.276 1.00 0.00 C ATOM 481 O ALA A 34 9.209 12.851 -0.318 1.00 0.00 O ATOM 482 CB ALA A 34 9.618 10.582 -2.466 1.00 0.00 C ATOM 0 H ALA A 34 9.507 8.538 -1.130 1.00 0.00 H new ATOM 0 HA ALA A 34 10.860 10.923 -0.724 1.00 0.00 H new ATOM 0 HB1 ALA A 34 9.733 11.589 -2.867 1.00 0.00 H new ATOM 0 HB2 ALA A 34 10.349 9.920 -2.931 1.00 0.00 H new ATOM 0 HB3 ALA A 34 8.613 10.219 -2.679 1.00 0.00 H new ATOM 488 N VAL A 35 7.785 11.189 0.232 1.00 0.00 N ATOM 489 CA VAL A 35 6.848 11.952 1.090 1.00 0.00 C ATOM 490 C VAL A 35 7.457 12.253 2.478 1.00 0.00 C ATOM 491 O VAL A 35 7.181 13.280 3.087 1.00 0.00 O ATOM 492 CB VAL A 35 5.530 11.152 1.259 1.00 0.00 C ATOM 493 CG1 VAL A 35 4.469 11.897 2.064 1.00 0.00 C ATOM 494 CG2 VAL A 35 4.914 10.821 -0.098 1.00 0.00 C ATOM 0 H VAL A 35 7.468 10.235 0.057 1.00 0.00 H new ATOM 0 HA VAL A 35 6.647 12.905 0.602 1.00 0.00 H new ATOM 0 HB VAL A 35 5.816 10.249 1.799 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.573 11.281 2.144 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.853 12.111 3.062 1.00 0.00 H new ATOM 0 HG13 VAL A 35 4.222 12.833 1.562 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.991 10.260 0.049 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.696 11.745 -0.634 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.615 10.221 -0.679 1.00 0.00 H new ATOM 504 N GLY A 36 8.186 11.261 2.999 1.00 0.00 N ATOM 505 CA GLY A 36 8.787 11.276 4.349 1.00 0.00 C ATOM 506 C GLY A 36 8.220 10.130 5.201 1.00 0.00 C ATOM 507 O GLY A 36 8.057 9.002 4.742 1.00 0.00 O ATOM 0 H GLY A 36 8.383 10.402 2.486 1.00 0.00 H new ATOM 0 HA2 GLY A 36 9.870 11.179 4.273 1.00 0.00 H new ATOM 0 HA3 GLY A 36 8.585 12.232 4.833 1.00 0.00 H new ATOM 511 N SER A 37 7.669 10.555 6.331 1.00 0.00 N ATOM 512 CA SER A 37 7.158 9.652 7.384 1.00 0.00 C ATOM 513 C SER A 37 6.052 8.691 6.938 1.00 0.00 C ATOM 514 O SER A 37 6.116 7.515 7.275 1.00 0.00 O ATOM 515 CB SER A 37 6.675 10.457 8.597 1.00 0.00 C ATOM 516 OG SER A 37 5.833 11.518 8.134 1.00 0.00 O ATOM 0 H SER A 37 7.558 11.544 6.555 1.00 0.00 H new ATOM 0 HA SER A 37 8.010 9.025 7.646 1.00 0.00 H new ATOM 0 HB2 SER A 37 6.128 9.813 9.285 1.00 0.00 H new ATOM 0 HB3 SER A 37 7.525 10.861 9.146 1.00 0.00 H new ATOM 0 HG SER A 37 5.515 12.041 8.899 1.00 0.00 H new ATOM 522 N GLY A 38 5.149 9.187 6.086 1.00 0.00 N ATOM 523 CA GLY A 38 4.039 8.397 5.497 1.00 0.00 C ATOM 524 C GLY A 38 4.476 7.068 4.873 1.00 0.00 C ATOM 525 O GLY A 38 3.879 6.019 5.114 1.00 0.00 O ATOM 0 H GLY A 38 5.160 10.159 5.776 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.300 8.196 6.272 1.00 0.00 H new ATOM 0 HA3 GLY A 38 3.545 8.999 4.734 1.00 0.00 H new ATOM 529 N GLY A 39 5.587 7.111 4.137 1.00 0.00 N ATOM 530 CA GLY A 39 6.195 5.921 3.516 1.00 0.00 C ATOM 531 C GLY A 39 6.658 4.891 4.560 1.00 0.00 C ATOM 532 O GLY A 39 6.179 3.770 4.592 1.00 0.00 O ATOM 0 H GLY A 39 6.097 7.974 3.951 1.00 0.00 H new ATOM 0 HA2 GLY A 39 5.474 5.455 2.845 1.00 0.00 H new ATOM 0 HA3 GLY A 39 7.046 6.226 2.907 1.00 0.00 H new ATOM 536 N LEU A 40 7.400 5.414 5.533 1.00 0.00 N ATOM 537 CA LEU A 40 7.997 4.623 6.629 1.00 0.00 C ATOM 538 C LEU A 40 6.966 3.932 7.536 1.00 0.00 C ATOM 539 O LEU A 40 7.097 2.737 7.826 1.00 0.00 O ATOM 540 CB LEU A 40 8.879 5.554 7.464 1.00 0.00 C ATOM 541 CG LEU A 40 10.176 5.874 6.716 1.00 0.00 C ATOM 542 CD1 LEU A 40 10.707 7.252 7.138 1.00 0.00 C ATOM 543 CD2 LEU A 40 11.225 4.782 6.944 1.00 0.00 C ATOM 0 H LEU A 40 7.612 6.410 5.592 1.00 0.00 H new ATOM 0 HA LEU A 40 8.574 3.819 6.173 1.00 0.00 H new ATOM 0 HB2 LEU A 40 8.341 6.476 7.682 1.00 0.00 H new ATOM 0 HB3 LEU A 40 9.110 5.085 8.421 1.00 0.00 H new ATOM 0 HG LEU A 40 9.961 5.903 5.648 1.00 0.00 H new ATOM 0 HD11 LEU A 40 11.630 7.467 6.599 1.00 0.00 H new ATOM 0 HD12 LEU A 40 9.964 8.015 6.905 1.00 0.00 H new ATOM 0 HD13 LEU A 40 10.905 7.253 8.210 1.00 0.00 H new ATOM 0 HD21 LEU A 40 12.136 5.034 6.402 1.00 0.00 H new ATOM 0 HD22 LEU A 40 11.446 4.706 8.009 1.00 0.00 H new ATOM 0 HD23 LEU A 40 10.841 3.828 6.584 1.00 0.00 H new ATOM 555 N SER A 41 5.929 4.670 7.899 1.00 0.00 N ATOM 556 CA SER A 41 4.796 4.149 8.697 1.00 0.00 C ATOM 557 C SER A 41 4.033 3.013 7.997 1.00 0.00 C ATOM 558 O SER A 41 3.805 1.965 8.610 1.00 0.00 O ATOM 559 CB SER A 41 3.860 5.283 9.108 1.00 0.00 C ATOM 560 OG SER A 41 3.491 6.046 7.953 1.00 0.00 O ATOM 0 H SER A 41 5.835 5.656 7.654 1.00 0.00 H new ATOM 0 HA SER A 41 5.223 3.708 9.597 1.00 0.00 H new ATOM 0 HB2 SER A 41 2.969 4.877 9.587 1.00 0.00 H new ATOM 0 HB3 SER A 41 4.351 5.926 9.839 1.00 0.00 H new ATOM 0 HG SER A 41 3.877 5.634 7.152 1.00 0.00 H new ATOM 566 N LEU A 42 3.838 3.141 6.682 1.00 0.00 N ATOM 567 CA LEU A 42 3.275 2.055 5.842 1.00 0.00 C ATOM 568 C LEU A 42 4.197 0.826 5.861 1.00 0.00 C ATOM 569 O LEU A 42 3.755 -0.290 6.164 1.00 0.00 O ATOM 570 CB LEU A 42 3.117 2.575 4.402 1.00 0.00 C ATOM 571 CG LEU A 42 2.462 1.529 3.473 1.00 0.00 C ATOM 572 CD1 LEU A 42 0.944 1.535 3.603 1.00 0.00 C ATOM 573 CD2 LEU A 42 2.860 1.800 2.024 1.00 0.00 C ATOM 0 H LEU A 42 4.061 3.990 6.163 1.00 0.00 H new ATOM 0 HA LEU A 42 2.304 1.756 6.237 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.512 3.482 4.409 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.095 2.848 4.007 1.00 0.00 H new ATOM 0 HG LEU A 42 2.819 0.544 3.774 1.00 0.00 H new ATOM 0 HD11 LEU A 42 0.519 0.786 2.935 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.666 1.303 4.631 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.560 2.520 3.336 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.395 1.059 1.374 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.526 2.797 1.735 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.944 1.738 1.927 1.00 0.00 H new ATOM 585 N LEU A 43 5.487 1.074 5.655 1.00 0.00 N ATOM 586 CA LEU A 43 6.509 0.002 5.633 1.00 0.00 C ATOM 587 C LEU A 43 6.632 -0.801 6.939 1.00 0.00 C ATOM 588 O LEU A 43 6.864 -2.011 6.902 1.00 0.00 O ATOM 589 CB LEU A 43 7.881 0.541 5.203 1.00 0.00 C ATOM 590 CG LEU A 43 7.843 1.202 3.818 1.00 0.00 C ATOM 591 CD1 LEU A 43 9.269 1.603 3.426 1.00 0.00 C ATOM 592 CD2 LEU A 43 7.198 0.320 2.739 1.00 0.00 C ATOM 0 H LEU A 43 5.863 2.009 5.499 1.00 0.00 H new ATOM 0 HA LEU A 43 6.146 -0.705 4.886 1.00 0.00 H new ATOM 0 HB2 LEU A 43 8.230 1.265 5.939 1.00 0.00 H new ATOM 0 HB3 LEU A 43 8.602 -0.276 5.193 1.00 0.00 H new ATOM 0 HG LEU A 43 7.207 2.085 3.885 1.00 0.00 H new ATOM 0 HD11 LEU A 43 9.257 2.074 2.443 1.00 0.00 H new ATOM 0 HD12 LEU A 43 9.664 2.305 4.160 1.00 0.00 H new ATOM 0 HD13 LEU A 43 9.901 0.716 3.395 1.00 0.00 H new ATOM 0 HD21 LEU A 43 7.204 0.848 1.786 1.00 0.00 H new ATOM 0 HD22 LEU A 43 7.761 -0.608 2.643 1.00 0.00 H new ATOM 0 HD23 LEU A 43 6.170 0.093 3.021 1.00 0.00 H new ATOM 604 N ALA A 44 6.393 -0.129 8.051 1.00 0.00 N ATOM 605 CA ALA A 44 6.349 -0.765 9.389 1.00 0.00 C ATOM 606 C ALA A 44 5.173 -1.744 9.572 1.00 0.00 C ATOM 607 O ALA A 44 5.390 -2.828 10.106 1.00 0.00 O ATOM 608 CB ALA A 44 6.303 0.329 10.464 1.00 0.00 C ATOM 0 H ALA A 44 6.221 0.876 8.069 1.00 0.00 H new ATOM 0 HA ALA A 44 7.253 -1.365 9.488 1.00 0.00 H new ATOM 0 HB1 ALA A 44 6.270 -0.132 11.451 1.00 0.00 H new ATOM 0 HB2 ALA A 44 7.192 0.955 10.385 1.00 0.00 H new ATOM 0 HB3 ALA A 44 5.414 0.943 10.321 1.00 0.00 H new ATOM 614 N ALA A 45 4.050 -1.465 8.895 1.00 0.00 N ATOM 615 CA ALA A 45 2.774 -2.177 9.107 1.00 0.00 C ATOM 616 C ALA A 45 2.854 -3.705 8.998 1.00 0.00 C ATOM 617 O ALA A 45 2.380 -4.417 9.885 1.00 0.00 O ATOM 618 CB ALA A 45 1.712 -1.618 8.162 1.00 0.00 C ATOM 0 H ALA A 45 3.997 -0.738 8.182 1.00 0.00 H new ATOM 0 HA ALA A 45 2.498 -1.993 10.145 1.00 0.00 H new ATOM 0 HB1 ALA A 45 0.771 -2.145 8.320 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.571 -0.556 8.361 1.00 0.00 H new ATOM 0 HB3 ALA A 45 2.035 -1.754 7.130 1.00 0.00 H new ATOM 624 N ALA A 46 3.485 -4.186 7.927 1.00 0.00 N ATOM 625 CA ALA A 46 3.756 -5.630 7.736 1.00 0.00 C ATOM 626 C ALA A 46 5.100 -5.916 7.039 1.00 0.00 C ATOM 627 O ALA A 46 5.227 -6.789 6.182 1.00 0.00 O ATOM 628 CB ALA A 46 2.568 -6.297 7.026 1.00 0.00 C ATOM 0 H ALA A 46 3.825 -3.598 7.166 1.00 0.00 H new ATOM 0 HA ALA A 46 3.862 -6.077 8.725 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.775 -7.358 6.889 1.00 0.00 H new ATOM 0 HB2 ALA A 46 1.669 -6.178 7.631 1.00 0.00 H new ATOM 0 HB3 ALA A 46 2.416 -5.829 6.053 1.00 0.00 H new ATOM 634 N GLY A 47 6.132 -5.275 7.591 1.00 0.00 N ATOM 635 CA GLY A 47 7.521 -5.334 7.063 1.00 0.00 C ATOM 636 C GLY A 47 8.027 -6.772 6.834 1.00 0.00 C ATOM 637 O GLY A 47 8.344 -7.154 5.710 1.00 0.00 O ATOM 0 H GLY A 47 6.040 -4.693 8.423 1.00 0.00 H new ATOM 0 HA2 GLY A 47 7.568 -4.786 6.122 1.00 0.00 H new ATOM 0 HA3 GLY A 47 8.189 -4.828 7.760 1.00 0.00 H new ATOM 641 N ARG A 48 7.859 -7.574 7.873 1.00 0.00 N ATOM 642 CA ARG A 48 8.246 -8.992 7.946 1.00 0.00 C ATOM 643 C ARG A 48 7.581 -9.879 6.874 1.00 0.00 C ATOM 644 O ARG A 48 8.258 -10.557 6.107 1.00 0.00 O ATOM 645 CB ARG A 48 7.834 -9.408 9.348 1.00 0.00 C ATOM 646 CG ARG A 48 8.232 -10.837 9.689 1.00 0.00 C ATOM 647 CD ARG A 48 7.661 -11.088 11.074 1.00 0.00 C ATOM 648 NE ARG A 48 7.863 -12.483 11.458 1.00 0.00 N ATOM 649 CZ ARG A 48 7.410 -13.031 12.575 1.00 0.00 C ATOM 650 NH1 ARG A 48 6.819 -12.273 13.507 1.00 0.00 N ATOM 651 NH2 ARG A 48 7.597 -14.319 12.809 1.00 0.00 N ATOM 0 H ARG A 48 7.428 -7.246 8.737 1.00 0.00 H new ATOM 0 HA ARG A 48 9.311 -9.118 7.750 1.00 0.00 H new ATOM 0 HB2 ARG A 48 8.288 -8.729 10.070 1.00 0.00 H new ATOM 0 HB3 ARG A 48 6.754 -9.304 9.448 1.00 0.00 H new ATOM 0 HG2 ARG A 48 7.828 -11.542 8.963 1.00 0.00 H new ATOM 0 HG3 ARG A 48 9.315 -10.957 9.682 1.00 0.00 H new ATOM 0 HD2 ARG A 48 8.142 -10.431 11.798 1.00 0.00 H new ATOM 0 HD3 ARG A 48 6.597 -10.851 11.085 1.00 0.00 H new ATOM 0 HE ARG A 48 8.391 -13.078 10.820 1.00 0.00 H new ATOM 0 HH11 ARG A 48 6.716 -11.269 13.358 1.00 0.00 H new ATOM 0 HH12 ARG A 48 6.471 -12.699 14.366 1.00 0.00 H new ATOM 0 HH21 ARG A 48 8.092 -14.895 12.128 1.00 0.00 H new ATOM 0 HH22 ARG A 48 7.246 -14.737 13.671 1.00 0.00 H new ATOM 665 N GLU A 49 6.264 -9.731 6.759 1.00 0.00 N ATOM 666 CA GLU A 49 5.428 -10.494 5.812 1.00 0.00 C ATOM 667 C GLU A 49 5.465 -9.954 4.365 1.00 0.00 C ATOM 668 O GLU A 49 4.789 -10.462 3.475 1.00 0.00 O ATOM 669 CB GLU A 49 4.039 -10.433 6.461 1.00 0.00 C ATOM 670 CG GLU A 49 2.999 -11.375 5.833 1.00 0.00 C ATOM 671 CD GLU A 49 2.037 -10.621 4.906 1.00 0.00 C ATOM 672 OE1 GLU A 49 1.589 -9.526 5.296 1.00 0.00 O ATOM 673 OE2 GLU A 49 1.746 -11.191 3.834 1.00 0.00 O ATOM 0 H GLU A 49 5.732 -9.070 7.325 1.00 0.00 H new ATOM 0 HA GLU A 49 5.783 -11.515 5.668 1.00 0.00 H new ATOM 0 HB2 GLU A 49 4.136 -10.674 7.520 1.00 0.00 H new ATOM 0 HB3 GLU A 49 3.668 -9.410 6.399 1.00 0.00 H new ATOM 0 HG2 GLU A 49 3.509 -12.157 5.270 1.00 0.00 H new ATOM 0 HG3 GLU A 49 2.432 -11.869 6.622 1.00 0.00 H new ATOM 680 N SER A 50 6.517 -9.170 4.119 1.00 0.00 N ATOM 681 CA SER A 50 6.737 -8.316 2.934 1.00 0.00 C ATOM 682 C SER A 50 5.545 -7.369 2.677 1.00 0.00 C ATOM 683 O SER A 50 4.403 -7.799 2.553 1.00 0.00 O ATOM 684 CB SER A 50 7.060 -9.108 1.650 1.00 0.00 C ATOM 685 OG SER A 50 5.894 -9.731 1.114 1.00 0.00 O ATOM 0 H SER A 50 7.291 -9.106 4.780 1.00 0.00 H new ATOM 0 HA SER A 50 7.619 -7.723 3.177 1.00 0.00 H new ATOM 0 HB2 SER A 50 7.490 -8.438 0.906 1.00 0.00 H new ATOM 0 HB3 SER A 50 7.812 -9.867 1.868 1.00 0.00 H new ATOM 0 HG SER A 50 5.407 -10.186 1.832 1.00 0.00 H new ATOM 691 N ILE A 51 5.856 -6.078 2.605 1.00 0.00 N ATOM 692 CA ILE A 51 4.876 -5.062 2.160 1.00 0.00 C ATOM 693 C ILE A 51 4.223 -5.413 0.808 1.00 0.00 C ATOM 694 O ILE A 51 3.019 -5.228 0.650 1.00 0.00 O ATOM 695 CB ILE A 51 5.547 -3.663 2.209 1.00 0.00 C ATOM 696 CG1 ILE A 51 5.819 -3.257 3.673 1.00 0.00 C ATOM 697 CG2 ILE A 51 4.814 -2.552 1.448 1.00 0.00 C ATOM 698 CD1 ILE A 51 4.596 -3.157 4.585 1.00 0.00 C ATOM 0 H ILE A 51 6.772 -5.700 2.846 1.00 0.00 H new ATOM 0 HA ILE A 51 4.030 -5.046 2.847 1.00 0.00 H new ATOM 0 HB ILE A 51 6.488 -3.774 1.670 1.00 0.00 H new ATOM 0 HG12 ILE A 51 6.511 -3.980 4.106 1.00 0.00 H new ATOM 0 HG13 ILE A 51 6.325 -2.292 3.672 1.00 0.00 H new ATOM 0 HG21 ILE A 51 5.367 -1.618 1.547 1.00 0.00 H new ATOM 0 HG22 ILE A 51 4.740 -2.820 0.394 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.813 -2.427 1.861 1.00 0.00 H new ATOM 0 HD11 ILE A 51 4.912 -2.865 5.587 1.00 0.00 H new ATOM 0 HD12 ILE A 51 3.907 -2.410 4.190 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.096 -4.124 4.630 1.00 0.00 H new ATOM 710 N LYS A 52 4.978 -6.098 -0.037 1.00 0.00 N ATOM 711 CA LYS A 52 4.525 -6.580 -1.356 1.00 0.00 C ATOM 712 C LYS A 52 3.283 -7.478 -1.230 1.00 0.00 C ATOM 713 O LYS A 52 2.166 -7.006 -1.448 1.00 0.00 O ATOM 714 CB LYS A 52 5.701 -7.310 -2.000 1.00 0.00 C ATOM 715 CG LYS A 52 5.565 -7.311 -3.510 1.00 0.00 C ATOM 716 CD LYS A 52 6.860 -7.858 -4.101 1.00 0.00 C ATOM 717 CE LYS A 52 6.817 -7.814 -5.617 1.00 0.00 C ATOM 718 NZ LYS A 52 8.117 -8.306 -6.077 1.00 0.00 N ATOM 0 H LYS A 52 5.946 -6.346 0.169 1.00 0.00 H new ATOM 0 HA LYS A 52 4.219 -5.744 -1.985 1.00 0.00 H new ATOM 0 HB2 LYS A 52 6.636 -6.828 -1.714 1.00 0.00 H new ATOM 0 HB3 LYS A 52 5.745 -8.335 -1.633 1.00 0.00 H new ATOM 0 HG2 LYS A 52 4.718 -7.925 -3.816 1.00 0.00 H new ATOM 0 HG3 LYS A 52 5.376 -6.302 -3.876 1.00 0.00 H new ATOM 0 HD2 LYS A 52 7.706 -7.274 -3.739 1.00 0.00 H new ATOM 0 HD3 LYS A 52 7.014 -8.884 -3.766 1.00 0.00 H new ATOM 0 HE2 LYS A 52 6.008 -8.435 -6.002 1.00 0.00 H new ATOM 0 HE3 LYS A 52 6.637 -6.799 -5.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 8.544 -7.609 -6.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 8.742 -8.452 -5.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 7.989 -9.207 -6.580 1.00 0.00 H new ATOM 732 N ALA A 53 3.467 -8.632 -0.576 1.00 0.00 N ATOM 733 CA ALA A 53 2.385 -9.601 -0.336 1.00 0.00 C ATOM 734 C ALA A 53 1.251 -9.045 0.538 1.00 0.00 C ATOM 735 O ALA A 53 0.080 -9.203 0.190 1.00 0.00 O ATOM 736 CB ALA A 53 2.992 -10.863 0.298 1.00 0.00 C ATOM 0 H ALA A 53 4.369 -8.922 -0.198 1.00 0.00 H new ATOM 0 HA ALA A 53 1.926 -9.835 -1.296 1.00 0.00 H new ATOM 0 HB1 ALA A 53 2.204 -11.593 0.483 1.00 0.00 H new ATOM 0 HB2 ALA A 53 3.731 -11.291 -0.379 1.00 0.00 H new ATOM 0 HB3 ALA A 53 3.473 -10.601 1.241 1.00 0.00 H new ATOM 742 N TYR A 54 1.631 -8.203 1.499 1.00 0.00 N ATOM 743 CA TYR A 54 0.713 -7.444 2.371 1.00 0.00 C ATOM 744 C TYR A 54 -0.344 -6.683 1.559 1.00 0.00 C ATOM 745 O TYR A 54 -1.491 -7.106 1.514 1.00 0.00 O ATOM 746 CB TYR A 54 1.554 -6.499 3.238 1.00 0.00 C ATOM 747 CG TYR A 54 0.780 -5.487 4.083 1.00 0.00 C ATOM 748 CD1 TYR A 54 -0.320 -5.897 4.871 1.00 0.00 C ATOM 749 CD2 TYR A 54 1.213 -4.146 4.081 1.00 0.00 C ATOM 750 CE1 TYR A 54 -0.992 -4.955 5.666 1.00 0.00 C ATOM 751 CE2 TYR A 54 0.548 -3.192 4.877 1.00 0.00 C ATOM 752 CZ TYR A 54 -0.540 -3.609 5.668 1.00 0.00 C ATOM 753 OH TYR A 54 -1.226 -2.689 6.390 1.00 0.00 O ATOM 0 H TYR A 54 2.613 -8.020 1.704 1.00 0.00 H new ATOM 0 HA TYR A 54 0.159 -8.132 3.009 1.00 0.00 H new ATOM 0 HB2 TYR A 54 2.169 -7.103 3.905 1.00 0.00 H new ATOM 0 HB3 TYR A 54 2.235 -5.951 2.586 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -0.641 -6.928 4.861 1.00 0.00 H new ATOM 0 HD2 TYR A 54 2.053 -3.850 3.470 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -1.840 -5.250 6.267 1.00 0.00 H new ATOM 0 HE2 TYR A 54 0.867 -2.160 4.880 1.00 0.00 H new ATOM 0 HH TYR A 54 -2.184 -2.775 6.204 1.00 0.00 H new ATOM 763 N LEU A 55 0.099 -5.684 0.814 1.00 0.00 N ATOM 764 CA LEU A 55 -0.802 -4.817 0.024 1.00 0.00 C ATOM 765 C LEU A 55 -1.577 -5.577 -1.044 1.00 0.00 C ATOM 766 O LEU A 55 -2.802 -5.442 -1.122 1.00 0.00 O ATOM 767 CB LEU A 55 -0.029 -3.683 -0.658 1.00 0.00 C ATOM 768 CG LEU A 55 0.725 -2.811 0.350 1.00 0.00 C ATOM 769 CD1 LEU A 55 1.737 -1.931 -0.387 1.00 0.00 C ATOM 770 CD2 LEU A 55 -0.199 -1.959 1.226 1.00 0.00 C ATOM 0 H LEU A 55 1.086 -5.440 0.730 1.00 0.00 H new ATOM 0 HA LEU A 55 -1.513 -4.411 0.744 1.00 0.00 H new ATOM 0 HB2 LEU A 55 0.678 -4.105 -1.372 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.722 -3.063 -1.226 1.00 0.00 H new ATOM 0 HG LEU A 55 1.245 -3.484 1.031 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.272 -1.311 0.332 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.447 -2.562 -0.921 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.214 -1.292 -1.098 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.400 -1.366 1.917 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -0.788 -1.294 0.594 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -0.867 -2.610 1.791 1.00 0.00 H new ATOM 782 N LYS A 56 -0.880 -6.534 -1.651 1.00 0.00 N ATOM 783 CA LYS A 56 -1.461 -7.414 -2.668 1.00 0.00 C ATOM 784 C LYS A 56 -2.722 -8.148 -2.197 1.00 0.00 C ATOM 785 O LYS A 56 -3.799 -7.848 -2.684 1.00 0.00 O ATOM 786 CB LYS A 56 -0.429 -8.401 -3.212 1.00 0.00 C ATOM 787 CG LYS A 56 0.531 -7.669 -4.144 1.00 0.00 C ATOM 788 CD LYS A 56 1.581 -8.632 -4.706 1.00 0.00 C ATOM 789 CE LYS A 56 2.507 -7.857 -5.637 1.00 0.00 C ATOM 790 NZ LYS A 56 3.455 -8.809 -6.239 1.00 0.00 N ATOM 0 H LYS A 56 0.103 -6.723 -1.454 1.00 0.00 H new ATOM 0 HA LYS A 56 -1.774 -6.756 -3.479 1.00 0.00 H new ATOM 0 HB2 LYS A 56 0.122 -8.858 -2.390 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -0.929 -9.208 -3.748 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -0.026 -7.213 -4.962 1.00 0.00 H new ATOM 0 HG3 LYS A 56 1.024 -6.860 -3.604 1.00 0.00 H new ATOM 0 HD2 LYS A 56 2.152 -9.083 -3.895 1.00 0.00 H new ATOM 0 HD3 LYS A 56 1.097 -9.446 -5.246 1.00 0.00 H new ATOM 0 HE2 LYS A 56 1.931 -7.352 -6.413 1.00 0.00 H new ATOM 0 HE3 LYS A 56 3.043 -7.085 -5.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 4.053 -8.313 -6.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 4.054 -9.220 -5.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 2.928 -9.567 -6.718 1.00 0.00 H new ATOM 804 N LYS A 57 -2.591 -8.809 -1.050 1.00 0.00 N ATOM 805 CA LYS A 57 -3.745 -9.489 -0.431 1.00 0.00 C ATOM 806 C LYS A 57 -4.725 -8.497 0.235 1.00 0.00 C ATOM 807 O LYS A 57 -5.918 -8.531 -0.062 1.00 0.00 O ATOM 808 CB LYS A 57 -3.279 -10.543 0.574 1.00 0.00 C ATOM 809 CG LYS A 57 -4.462 -11.459 0.885 1.00 0.00 C ATOM 810 CD LYS A 57 -3.980 -12.801 1.461 1.00 0.00 C ATOM 811 CE LYS A 57 -4.344 -12.988 2.941 1.00 0.00 C ATOM 812 NZ LYS A 57 -3.571 -12.027 3.744 1.00 0.00 N ATOM 0 H LYS A 57 -1.717 -8.893 -0.531 1.00 0.00 H new ATOM 0 HA LYS A 57 -4.289 -9.986 -1.234 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -2.449 -11.119 0.164 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -2.917 -10.066 1.485 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -5.128 -10.971 1.597 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -5.040 -11.635 -0.023 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -4.414 -13.615 0.881 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -2.898 -12.870 1.348 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -5.412 -12.831 3.090 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -4.124 -14.008 3.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -3.809 -12.144 4.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -2.554 -12.198 3.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -3.802 -11.058 3.444 1.00 0.00 H new ATOM 826 N GLU A 58 -4.184 -7.540 0.986 1.00 0.00 N ATOM 827 CA GLU A 58 -5.001 -6.597 1.765 1.00 0.00 C ATOM 828 C GLU A 58 -5.956 -5.808 0.857 1.00 0.00 C ATOM 829 O GLU A 58 -7.168 -5.927 1.009 1.00 0.00 O ATOM 830 CB GLU A 58 -4.084 -5.651 2.554 1.00 0.00 C ATOM 831 CG GLU A 58 -4.859 -4.750 3.526 1.00 0.00 C ATOM 832 CD GLU A 58 -3.932 -3.749 4.223 1.00 0.00 C ATOM 833 OE1 GLU A 58 -3.061 -3.182 3.537 1.00 0.00 O ATOM 834 OE2 GLU A 58 -4.139 -3.556 5.447 1.00 0.00 O ATOM 0 H GLU A 58 -3.179 -7.393 1.075 1.00 0.00 H new ATOM 0 HA GLU A 58 -5.615 -7.162 2.467 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -3.356 -6.239 3.112 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -3.524 -5.029 1.856 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -5.636 -4.211 2.984 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -5.360 -5.365 4.273 1.00 0.00 H new ATOM 841 N ILE A 59 -5.422 -5.234 -0.215 1.00 0.00 N ATOM 842 CA ILE A 59 -6.248 -4.412 -1.131 1.00 0.00 C ATOM 843 C ILE A 59 -7.128 -5.267 -2.041 1.00 0.00 C ATOM 844 O ILE A 59 -8.246 -4.847 -2.358 1.00 0.00 O ATOM 845 CB ILE A 59 -5.397 -3.368 -1.876 1.00 0.00 C ATOM 846 CG1 ILE A 59 -4.415 -2.561 -0.986 1.00 0.00 C ATOM 847 CG2 ILE A 59 -6.270 -2.402 -2.686 1.00 0.00 C ATOM 848 CD1 ILE A 59 -4.862 -2.234 0.442 1.00 0.00 C ATOM 0 H ILE A 59 -4.440 -5.312 -0.480 1.00 0.00 H new ATOM 0 HA ILE A 59 -6.950 -3.839 -0.524 1.00 0.00 H new ATOM 0 HB ILE A 59 -4.778 -3.965 -2.546 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -3.480 -3.118 -0.927 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -4.195 -1.622 -1.493 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -5.634 -1.680 -3.198 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -6.847 -2.963 -3.421 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -6.950 -1.876 -2.015 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -4.080 -1.668 0.948 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -5.776 -1.641 0.410 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -5.049 -3.160 0.986 1.00 0.00 H new ATOM 860 N LYS A 60 -6.681 -6.497 -2.323 1.00 0.00 N ATOM 861 CA LYS A 60 -7.492 -7.491 -3.039 1.00 0.00 C ATOM 862 C LYS A 60 -8.811 -7.853 -2.344 1.00 0.00 C ATOM 863 O LYS A 60 -9.827 -8.125 -2.984 1.00 0.00 O ATOM 864 CB LYS A 60 -6.648 -8.763 -3.236 1.00 0.00 C ATOM 865 CG LYS A 60 -7.136 -9.699 -4.335 1.00 0.00 C ATOM 866 CD LYS A 60 -6.210 -10.914 -4.489 1.00 0.00 C ATOM 867 CE LYS A 60 -4.810 -10.574 -5.005 1.00 0.00 C ATOM 868 NZ LYS A 60 -4.917 -9.934 -6.320 1.00 0.00 N ATOM 0 H LYS A 60 -5.753 -6.830 -2.063 1.00 0.00 H new ATOM 0 HA LYS A 60 -7.774 -7.039 -3.990 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -5.623 -8.469 -3.460 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -6.624 -9.314 -2.296 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -8.147 -10.037 -4.105 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -7.188 -9.157 -5.280 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -6.118 -11.412 -3.524 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -6.674 -11.626 -5.172 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -4.304 -9.909 -4.305 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -4.207 -11.479 -5.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -3.989 -9.948 -6.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -5.607 -10.450 -6.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -5.231 -8.949 -6.202 1.00 0.00 H new ATOM 882 N LYS A 61 -8.766 -7.710 -1.031 1.00 0.00 N ATOM 883 CA LYS A 61 -9.902 -7.919 -0.117 1.00 0.00 C ATOM 884 C LYS A 61 -10.677 -6.626 0.203 1.00 0.00 C ATOM 885 O LYS A 61 -11.904 -6.629 0.305 1.00 0.00 O ATOM 886 CB LYS A 61 -9.429 -8.545 1.192 1.00 0.00 C ATOM 887 CG LYS A 61 -8.969 -9.961 0.892 1.00 0.00 C ATOM 888 CD LYS A 61 -8.647 -10.735 2.162 1.00 0.00 C ATOM 889 CE LYS A 61 -8.434 -12.185 1.757 1.00 0.00 C ATOM 890 NZ LYS A 61 -8.662 -12.987 2.959 1.00 0.00 N ATOM 0 H LYS A 61 -7.913 -7.436 -0.544 1.00 0.00 H new ATOM 0 HA LYS A 61 -10.582 -8.591 -0.640 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -8.614 -7.962 1.621 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -10.236 -8.553 1.925 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -9.746 -10.485 0.335 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -8.086 -9.928 0.253 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -7.755 -10.334 2.642 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -9.461 -10.651 2.882 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -9.123 -12.472 0.962 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -7.425 -12.337 1.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -8.528 -13.994 2.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -7.988 -12.704 3.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -9.633 -12.834 3.299 1.00 0.00 H new ATOM 904 N LYS A 62 -9.907 -5.569 0.420 1.00 0.00 N ATOM 905 CA LYS A 62 -10.354 -4.232 0.839 1.00 0.00 C ATOM 906 C LYS A 62 -11.194 -3.491 -0.228 1.00 0.00 C ATOM 907 O LYS A 62 -12.344 -3.138 0.012 1.00 0.00 O ATOM 908 CB LYS A 62 -9.080 -3.456 1.163 1.00 0.00 C ATOM 909 CG LYS A 62 -9.261 -2.511 2.353 1.00 0.00 C ATOM 910 CD LYS A 62 -7.865 -2.172 2.874 1.00 0.00 C ATOM 911 CE LYS A 62 -7.955 -1.340 4.148 1.00 0.00 C ATOM 912 NZ LYS A 62 -6.597 -1.085 4.656 1.00 0.00 N ATOM 0 H LYS A 62 -8.895 -5.616 0.304 1.00 0.00 H new ATOM 0 HA LYS A 62 -11.023 -4.320 1.695 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -8.275 -4.158 1.379 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -8.775 -2.881 0.289 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -9.789 -1.607 2.050 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -9.859 -2.983 3.132 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -7.312 -3.090 3.071 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -7.310 -1.623 2.113 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -8.464 -0.397 3.946 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -8.545 -1.866 4.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -6.544 -1.360 5.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -5.911 -1.642 4.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -6.376 -0.073 4.562 1.00 0.00 H new ATOM 926 N GLY A 63 -10.561 -3.262 -1.377 1.00 0.00 N ATOM 927 CA GLY A 63 -11.107 -2.380 -2.428 1.00 0.00 C ATOM 928 C GLY A 63 -10.401 -1.012 -2.473 1.00 0.00 C ATOM 929 O GLY A 63 -10.692 -0.107 -1.698 1.00 0.00 O ATOM 0 H GLY A 63 -9.659 -3.676 -1.613 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -11.007 -2.869 -3.397 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -12.173 -2.230 -2.255 1.00 0.00 H new ATOM 933 N LYS A 64 -9.653 -0.860 -3.556 1.00 0.00 N ATOM 934 CA LYS A 64 -8.769 0.275 -3.892 1.00 0.00 C ATOM 935 C LYS A 64 -9.194 1.708 -3.515 1.00 0.00 C ATOM 936 O LYS A 64 -8.395 2.482 -2.992 1.00 0.00 O ATOM 937 CB LYS A 64 -8.463 0.236 -5.401 1.00 0.00 C ATOM 938 CG LYS A 64 -7.591 -0.950 -5.852 1.00 0.00 C ATOM 939 CD LYS A 64 -8.416 -2.151 -6.316 1.00 0.00 C ATOM 940 CE LYS A 64 -7.494 -3.292 -6.760 1.00 0.00 C ATOM 941 NZ LYS A 64 -7.266 -4.233 -5.662 1.00 0.00 N ATOM 0 H LYS A 64 -9.638 -1.573 -4.285 1.00 0.00 H new ATOM 0 HA LYS A 64 -7.909 0.102 -3.245 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -9.405 0.205 -5.948 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -7.963 1.163 -5.680 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -6.939 -0.627 -6.664 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -6.946 -1.255 -5.028 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -9.062 -2.491 -5.507 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -9.065 -1.858 -7.141 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -7.937 -3.815 -7.607 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -6.542 -2.885 -7.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -7.409 -5.205 -6.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -6.292 -4.128 -5.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -7.935 -4.035 -4.890 1.00 0.00 H new ATOM 955 N ARG A 65 -10.459 2.036 -3.742 1.00 0.00 N ATOM 956 CA ARG A 65 -11.032 3.360 -3.427 1.00 0.00 C ATOM 957 C ARG A 65 -10.880 3.777 -1.955 1.00 0.00 C ATOM 958 O ARG A 65 -10.419 4.866 -1.643 1.00 0.00 O ATOM 959 CB ARG A 65 -12.513 3.265 -3.783 1.00 0.00 C ATOM 960 CG ARG A 65 -13.006 4.581 -4.380 1.00 0.00 C ATOM 961 CD ARG A 65 -14.375 4.970 -3.835 1.00 0.00 C ATOM 962 NE ARG A 65 -14.240 5.194 -2.377 1.00 0.00 N ATOM 963 CZ ARG A 65 -15.100 4.811 -1.435 1.00 0.00 C ATOM 964 NH1 ARG A 65 -16.250 4.216 -1.735 1.00 0.00 N ATOM 965 NH2 ARG A 65 -14.803 5.018 -0.160 1.00 0.00 N ATOM 0 H ARG A 65 -11.133 1.391 -4.154 1.00 0.00 H new ATOM 0 HA ARG A 65 -10.496 4.122 -3.993 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -12.671 2.455 -4.495 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -13.092 3.024 -2.892 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -12.289 5.372 -4.160 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -13.058 4.491 -5.465 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -14.739 5.872 -4.327 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -15.102 4.183 -4.034 1.00 0.00 H new ATOM 0 HE ARG A 65 -13.406 5.691 -2.064 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -16.495 4.041 -2.710 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -16.888 3.934 -0.991 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -13.923 5.467 0.092 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -15.455 4.728 0.569 1.00 0.00 H new ATOM 979 N ALA A 66 -11.215 2.841 -1.082 1.00 0.00 N ATOM 980 CA ALA A 66 -11.049 2.990 0.376 1.00 0.00 C ATOM 981 C ALA A 66 -9.588 3.110 0.818 1.00 0.00 C ATOM 982 O ALA A 66 -9.291 3.854 1.750 1.00 0.00 O ATOM 983 CB ALA A 66 -11.725 1.800 1.078 1.00 0.00 C ATOM 0 H ALA A 66 -11.615 1.944 -1.356 1.00 0.00 H new ATOM 0 HA ALA A 66 -11.523 3.929 0.663 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -11.608 1.900 2.157 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -12.786 1.785 0.828 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -11.261 0.871 0.747 1.00 0.00 H new ATOM 989 N VAL A 67 -8.686 2.551 0.015 1.00 0.00 N ATOM 990 CA VAL A 67 -7.230 2.568 0.279 1.00 0.00 C ATOM 991 C VAL A 67 -6.653 3.977 0.056 1.00 0.00 C ATOM 992 O VAL A 67 -5.849 4.449 0.870 1.00 0.00 O ATOM 993 CB VAL A 67 -6.532 1.493 -0.576 1.00 0.00 C ATOM 994 CG1 VAL A 67 -5.046 1.359 -0.237 1.00 0.00 C ATOM 995 CG2 VAL A 67 -7.222 0.134 -0.386 1.00 0.00 C ATOM 0 H VAL A 67 -8.936 2.067 -0.847 1.00 0.00 H new ATOM 0 HA VAL A 67 -7.044 2.322 1.325 1.00 0.00 H new ATOM 0 HB VAL A 67 -6.612 1.810 -1.616 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -4.597 0.589 -0.865 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -4.545 2.310 -0.415 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.936 1.081 0.811 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -6.720 -0.617 -0.995 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -7.171 -0.156 0.663 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -8.266 0.210 -0.691 1.00 0.00 H new ATOM 1005 N ILE A 68 -7.183 4.661 -0.952 1.00 0.00 N ATOM 1006 CA ILE A 68 -6.963 6.109 -1.181 1.00 0.00 C ATOM 1007 C ILE A 68 -7.267 6.916 0.096 1.00 0.00 C ATOM 1008 O ILE A 68 -6.412 7.668 0.568 1.00 0.00 O ATOM 1009 CB ILE A 68 -7.789 6.534 -2.432 1.00 0.00 C ATOM 1010 CG1 ILE A 68 -7.166 5.996 -3.736 1.00 0.00 C ATOM 1011 CG2 ILE A 68 -8.126 8.037 -2.511 1.00 0.00 C ATOM 1012 CD1 ILE A 68 -5.746 6.477 -4.042 1.00 0.00 C ATOM 0 H ILE A 68 -7.789 4.231 -1.651 1.00 0.00 H new ATOM 0 HA ILE A 68 -5.916 6.324 -1.397 1.00 0.00 H new ATOM 0 HB ILE A 68 -8.760 6.055 -2.305 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -7.159 4.907 -3.691 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -7.812 6.276 -4.568 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -8.702 8.234 -3.415 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -8.712 8.325 -1.638 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -7.203 8.616 -2.535 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -5.407 6.038 -4.980 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -5.740 7.564 -4.127 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -5.077 6.173 -3.237 1.00 0.00 H new ATOM 1024 N ALA A 69 -8.414 6.613 0.727 1.00 0.00 N ATOM 1025 CA ALA A 69 -8.799 7.262 1.997 1.00 0.00 C ATOM 1026 C ALA A 69 -7.934 6.843 3.194 1.00 0.00 C ATOM 1027 O ALA A 69 -7.231 7.660 3.778 1.00 0.00 O ATOM 1028 CB ALA A 69 -10.293 6.987 2.269 1.00 0.00 C ATOM 0 H ALA A 69 -9.088 5.929 0.384 1.00 0.00 H new ATOM 0 HA ALA A 69 -8.626 8.332 1.881 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -10.586 7.463 3.205 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -10.892 7.392 1.453 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -10.458 5.912 2.341 1.00 0.00 H new ATOM 1034 N TRP A 70 -7.785 5.524 3.331 1.00 0.00 N ATOM 1035 CA TRP A 70 -7.044 4.831 4.408 1.00 0.00 C ATOM 1036 C TRP A 70 -5.610 5.353 4.581 1.00 0.00 C ATOM 1037 O TRP A 70 -5.292 5.976 5.594 1.00 0.00 O ATOM 1038 CB TRP A 70 -7.073 3.335 4.084 1.00 0.00 C ATOM 1039 CG TRP A 70 -6.206 2.473 5.010 1.00 0.00 C ATOM 1040 CD1 TRP A 70 -6.345 2.371 6.323 1.00 0.00 C ATOM 1041 CD2 TRP A 70 -5.131 1.681 4.636 1.00 0.00 C ATOM 1042 NE1 TRP A 70 -5.403 1.569 6.822 1.00 0.00 N ATOM 1043 CE2 TRP A 70 -4.633 1.112 5.825 1.00 0.00 C ATOM 1044 CE3 TRP A 70 -4.576 1.308 3.393 1.00 0.00 C ATOM 1045 CZ2 TRP A 70 -3.585 0.171 5.801 1.00 0.00 C ATOM 1046 CZ3 TRP A 70 -3.519 0.379 3.359 1.00 0.00 C ATOM 1047 CH2 TRP A 70 -3.023 -0.190 4.558 1.00 0.00 C ATOM 0 H TRP A 70 -8.195 4.870 2.665 1.00 0.00 H new ATOM 0 HA TRP A 70 -7.524 5.027 5.367 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -8.103 2.983 4.138 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -6.741 3.191 3.056 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -7.109 2.865 6.905 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -5.287 1.339 7.809 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -4.959 1.732 2.476 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -3.218 -0.266 6.718 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -3.083 0.098 2.412 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -2.212 -0.902 4.520 1.00 0.00 H new TER 1058 TRP A 70