USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 576 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 1 SER N :NH3+ -135:sc= 0.104 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.0498 K(o=-0.05,f=-1.9!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 65:sc= 0.0654 USER MOD Single : A 42 MET CE :methyl -145:sc= -0.644 (180deg=-2.88!) USER MOD Single : A 46 SER OG : rot 124:sc= -0.462 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 70:sc= 1.38 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.119) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -11.001 -9.953 -7.322 1.00 0.00 N ATOM 2 CA SER A 1 -10.125 -8.750 -7.233 1.00 0.00 C ATOM 3 C SER A 1 -8.954 -8.900 -8.207 1.00 0.00 C ATOM 4 O SER A 1 -8.850 -9.876 -8.922 1.00 0.00 O ATOM 5 CB SER A 1 -9.589 -8.613 -5.808 1.00 0.00 C ATOM 6 OG SER A 1 -8.692 -9.684 -5.539 1.00 0.00 O ATOM 0 H1 SER A 1 -11.997 -9.655 -7.357 1.00 0.00 H new ATOM 0 H2 SER A 1 -10.769 -10.488 -8.183 1.00 0.00 H new ATOM 0 H3 SER A 1 -10.849 -10.556 -6.488 1.00 0.00 H new ATOM 0 HA SER A 1 -10.701 -7.861 -7.490 1.00 0.00 H new ATOM 0 HB2 SER A 1 -9.079 -7.657 -5.689 1.00 0.00 H new ATOM 0 HB3 SER A 1 -10.413 -8.625 -5.094 1.00 0.00 H new ATOM 0 HG SER A 1 -8.345 -9.599 -4.627 1.00 0.00 H new ATOM 14 N GLU A 2 -8.071 -7.939 -8.240 1.00 0.00 N ATOM 15 CA GLU A 2 -6.908 -8.028 -9.168 1.00 0.00 C ATOM 16 C GLU A 2 -5.663 -7.468 -8.478 1.00 0.00 C ATOM 17 O GLU A 2 -5.736 -6.527 -7.713 1.00 0.00 O ATOM 18 CB GLU A 2 -7.200 -7.216 -10.432 1.00 0.00 C ATOM 19 CG GLU A 2 -8.034 -8.059 -11.398 1.00 0.00 C ATOM 20 CD GLU A 2 -9.161 -7.203 -11.981 1.00 0.00 C ATOM 21 OE1 GLU A 2 -9.228 -6.035 -11.638 1.00 0.00 O ATOM 22 OE2 GLU A 2 -9.936 -7.731 -12.762 1.00 0.00 O ATOM 0 H GLU A 2 -8.105 -7.097 -7.665 1.00 0.00 H new ATOM 0 HA GLU A 2 -6.737 -9.070 -9.438 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -7.735 -6.302 -10.174 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -6.267 -6.915 -10.908 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -7.403 -8.443 -12.200 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -8.450 -8.922 -10.878 1.00 0.00 H new ATOM 29 N ILE A 3 -4.520 -8.038 -8.743 1.00 0.00 N ATOM 30 CA ILE A 3 -3.272 -7.537 -8.101 1.00 0.00 C ATOM 31 C ILE A 3 -2.639 -6.462 -8.986 1.00 0.00 C ATOM 32 O ILE A 3 -2.564 -6.601 -10.191 1.00 0.00 O ATOM 33 CB ILE A 3 -2.288 -8.696 -7.925 1.00 0.00 C ATOM 34 CG1 ILE A 3 -2.984 -9.848 -7.197 1.00 0.00 C ATOM 35 CG2 ILE A 3 -1.088 -8.226 -7.102 1.00 0.00 C ATOM 36 CD1 ILE A 3 -3.622 -9.328 -5.909 1.00 0.00 C ATOM 0 H ILE A 3 -4.396 -8.828 -9.376 1.00 0.00 H new ATOM 0 HA ILE A 3 -3.511 -7.111 -7.126 1.00 0.00 H new ATOM 0 HB ILE A 3 -1.947 -9.035 -8.903 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -3.745 -10.291 -7.839 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -2.265 -10.634 -6.967 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -0.387 -9.051 -6.977 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -0.592 -7.404 -7.618 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -1.428 -7.887 -6.123 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -4.118 -10.149 -5.391 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -2.850 -8.906 -5.265 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -4.354 -8.557 -6.151 1.00 0.00 H new ATOM 48 N ILE A 4 -2.180 -5.392 -8.398 1.00 0.00 N ATOM 49 CA ILE A 4 -1.551 -4.310 -9.205 1.00 0.00 C ATOM 50 C ILE A 4 -0.049 -4.268 -8.916 1.00 0.00 C ATOM 51 O ILE A 4 0.372 -4.145 -7.784 1.00 0.00 O ATOM 52 CB ILE A 4 -2.178 -2.965 -8.833 1.00 0.00 C ATOM 53 CG1 ILE A 4 -3.669 -2.987 -9.177 1.00 0.00 C ATOM 54 CG2 ILE A 4 -1.491 -1.846 -9.618 1.00 0.00 C ATOM 55 CD1 ILE A 4 -4.441 -2.142 -8.161 1.00 0.00 C ATOM 0 H ILE A 4 -2.214 -5.220 -7.393 1.00 0.00 H new ATOM 0 HA ILE A 4 -1.714 -4.506 -10.265 1.00 0.00 H new ATOM 0 HB ILE A 4 -2.052 -2.789 -7.765 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -3.826 -2.599 -10.183 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -4.040 -4.012 -9.169 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -1.938 -0.888 -9.353 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -0.429 -1.830 -9.375 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -1.616 -2.021 -10.687 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -5.503 -2.158 -8.406 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -4.293 -2.550 -7.161 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -4.077 -1.115 -8.191 1.00 0.00 H new ATOM 67 N ARG A 5 0.763 -4.372 -9.933 1.00 0.00 N ATOM 68 CA ARG A 5 2.237 -4.339 -9.714 1.00 0.00 C ATOM 69 C ARG A 5 2.789 -2.983 -10.159 1.00 0.00 C ATOM 70 O ARG A 5 2.092 -2.182 -10.750 1.00 0.00 O ATOM 71 CB ARG A 5 2.900 -5.453 -10.527 1.00 0.00 C ATOM 72 CG ARG A 5 2.746 -5.158 -12.020 1.00 0.00 C ATOM 73 CD ARG A 5 3.106 -6.406 -12.827 1.00 0.00 C ATOM 74 NE ARG A 5 3.793 -6.004 -14.088 1.00 0.00 N ATOM 75 CZ ARG A 5 4.304 -6.913 -14.870 1.00 0.00 C ATOM 76 NH1 ARG A 5 3.525 -7.624 -15.641 1.00 0.00 N ATOM 77 NH2 ARG A 5 5.593 -7.113 -14.883 1.00 0.00 N ATOM 0 H ARG A 5 0.470 -4.478 -10.904 1.00 0.00 H new ATOM 0 HA ARG A 5 2.450 -4.488 -8.655 1.00 0.00 H new ATOM 0 HB2 ARG A 5 3.956 -5.528 -10.268 1.00 0.00 H new ATOM 0 HB3 ARG A 5 2.444 -6.413 -10.287 1.00 0.00 H new ATOM 0 HG2 ARG A 5 1.722 -4.854 -12.238 1.00 0.00 H new ATOM 0 HG3 ARG A 5 3.392 -4.328 -12.306 1.00 0.00 H new ATOM 0 HD2 ARG A 5 3.753 -7.057 -12.240 1.00 0.00 H new ATOM 0 HD3 ARG A 5 2.205 -6.975 -13.057 1.00 0.00 H new ATOM 0 HE ARG A 5 3.863 -5.018 -14.339 1.00 0.00 H new ATOM 0 HH11 ARG A 5 2.517 -7.468 -15.631 1.00 0.00 H new ATOM 0 HH12 ARG A 5 3.925 -8.335 -16.253 1.00 0.00 H new ATOM 0 HH21 ARG A 5 6.201 -6.558 -14.281 1.00 0.00 H new ATOM 0 HH22 ARG A 5 5.993 -7.824 -15.495 1.00 0.00 H new ATOM 91 N VAL A 6 4.036 -2.720 -9.879 1.00 0.00 N ATOM 92 CA VAL A 6 4.632 -1.417 -10.285 1.00 0.00 C ATOM 93 C VAL A 6 4.605 -1.297 -11.814 1.00 0.00 C ATOM 94 O VAL A 6 4.813 -2.271 -12.511 1.00 0.00 O ATOM 95 CB VAL A 6 6.080 -1.347 -9.793 1.00 0.00 C ATOM 96 CG1 VAL A 6 6.756 -0.096 -10.357 1.00 0.00 C ATOM 97 CG2 VAL A 6 6.094 -1.287 -8.264 1.00 0.00 C ATOM 0 H VAL A 6 4.668 -3.352 -9.386 1.00 0.00 H new ATOM 0 HA VAL A 6 4.058 -0.600 -9.847 1.00 0.00 H new ATOM 0 HB VAL A 6 6.620 -2.232 -10.130 1.00 0.00 H new ATOM 0 HG11 VAL A 6 7.786 -0.049 -10.005 1.00 0.00 H new ATOM 0 HG12 VAL A 6 6.746 -0.137 -11.446 1.00 0.00 H new ATOM 0 HG13 VAL A 6 6.218 0.791 -10.022 1.00 0.00 H new ATOM 0 HG21 VAL A 6 7.124 -1.237 -7.911 1.00 0.00 H new ATOM 0 HG22 VAL A 6 5.553 -0.402 -7.930 1.00 0.00 H new ATOM 0 HG23 VAL A 6 5.615 -2.179 -7.860 1.00 0.00 H new ATOM 107 N PRO A 7 4.350 -0.104 -12.288 1.00 0.00 N ATOM 108 CA PRO A 7 4.288 0.177 -13.733 1.00 0.00 C ATOM 109 C PRO A 7 5.701 0.299 -14.314 1.00 0.00 C ATOM 110 O PRO A 7 6.679 0.002 -13.657 1.00 0.00 O ATOM 111 CB PRO A 7 3.552 1.518 -13.808 1.00 0.00 C ATOM 112 CG PRO A 7 3.736 2.193 -12.427 1.00 0.00 C ATOM 113 CD PRO A 7 4.097 1.074 -11.434 1.00 0.00 C ATOM 0 HA PRO A 7 3.791 -0.609 -14.301 1.00 0.00 H new ATOM 0 HB2 PRO A 7 3.961 2.142 -14.603 1.00 0.00 H new ATOM 0 HB3 PRO A 7 2.495 1.370 -14.030 1.00 0.00 H new ATOM 0 HG2 PRO A 7 4.524 2.945 -12.466 1.00 0.00 H new ATOM 0 HG3 PRO A 7 2.823 2.703 -12.120 1.00 0.00 H new ATOM 0 HD2 PRO A 7 4.976 1.334 -10.844 1.00 0.00 H new ATOM 0 HD3 PRO A 7 3.285 0.889 -10.731 1.00 0.00 H new ATOM 121 N ASP A 8 5.814 0.735 -15.538 1.00 0.00 N ATOM 122 CA ASP A 8 7.161 0.877 -16.158 1.00 0.00 C ATOM 123 C ASP A 8 7.757 2.232 -15.773 1.00 0.00 C ATOM 124 O ASP A 8 7.294 3.269 -16.205 1.00 0.00 O ATOM 125 CB ASP A 8 7.037 0.787 -17.679 1.00 0.00 C ATOM 126 CG ASP A 8 8.433 0.766 -18.306 1.00 0.00 C ATOM 127 OD1 ASP A 8 9.301 0.119 -17.746 1.00 0.00 O ATOM 128 OD2 ASP A 8 8.608 1.399 -19.334 1.00 0.00 O ATOM 0 H ASP A 8 5.031 0.999 -16.136 1.00 0.00 H new ATOM 0 HA ASP A 8 7.811 0.078 -15.801 1.00 0.00 H new ATOM 0 HB2 ASP A 8 6.489 -0.113 -17.957 1.00 0.00 H new ATOM 0 HB3 ASP A 8 6.469 1.636 -18.059 1.00 0.00 H new ATOM 133 N ILE A 9 8.779 2.232 -14.962 1.00 0.00 N ATOM 134 CA ILE A 9 9.404 3.521 -14.548 1.00 0.00 C ATOM 135 C ILE A 9 10.748 3.685 -15.259 1.00 0.00 C ATOM 136 O ILE A 9 11.357 4.735 -15.221 1.00 0.00 O ATOM 137 CB ILE A 9 9.631 3.539 -13.029 1.00 0.00 C ATOM 138 CG1 ILE A 9 9.266 2.182 -12.413 1.00 0.00 C ATOM 139 CG2 ILE A 9 8.761 4.627 -12.398 1.00 0.00 C ATOM 140 CD1 ILE A 9 9.589 2.197 -10.917 1.00 0.00 C ATOM 0 H ILE A 9 9.209 1.395 -14.568 1.00 0.00 H new ATOM 0 HA ILE A 9 8.737 4.340 -14.819 1.00 0.00 H new ATOM 0 HB ILE A 9 10.684 3.743 -12.836 1.00 0.00 H new ATOM 0 HG12 ILE A 9 8.207 1.975 -12.565 1.00 0.00 H new ATOM 0 HG13 ILE A 9 9.821 1.385 -12.908 1.00 0.00 H new ATOM 0 HG21 ILE A 9 8.921 4.641 -11.320 1.00 0.00 H new ATOM 0 HG22 ILE A 9 9.030 5.597 -12.817 1.00 0.00 H new ATOM 0 HG23 ILE A 9 7.711 4.420 -12.606 1.00 0.00 H new ATOM 0 HD11 ILE A 9 9.330 1.233 -10.479 1.00 0.00 H new ATOM 0 HD12 ILE A 9 10.653 2.385 -10.776 1.00 0.00 H new ATOM 0 HD13 ILE A 9 9.014 2.984 -10.429 1.00 0.00 H new ATOM 152 N GLY A 10 11.217 2.654 -15.908 1.00 0.00 N ATOM 153 CA GLY A 10 12.522 2.753 -16.618 1.00 0.00 C ATOM 154 C GLY A 10 13.652 2.872 -15.593 1.00 0.00 C ATOM 155 O GLY A 10 14.698 3.425 -15.868 1.00 0.00 O ATOM 0 H GLY A 10 10.753 1.748 -15.977 1.00 0.00 H new ATOM 0 HA2 GLY A 10 12.675 1.874 -17.244 1.00 0.00 H new ATOM 0 HA3 GLY A 10 12.524 3.619 -17.279 1.00 0.00 H new ATOM 159 N GLY A 11 13.448 2.357 -14.411 1.00 0.00 N ATOM 160 CA GLY A 11 14.508 2.441 -13.368 1.00 0.00 C ATOM 161 C GLY A 11 13.947 1.956 -12.029 1.00 0.00 C ATOM 162 O GLY A 11 12.749 1.911 -11.828 1.00 0.00 O ATOM 0 H GLY A 11 12.593 1.882 -14.123 1.00 0.00 H new ATOM 0 HA2 GLY A 11 15.366 1.833 -13.656 1.00 0.00 H new ATOM 0 HA3 GLY A 11 14.862 3.468 -13.276 1.00 0.00 H new ATOM 166 N ASP A 12 14.801 1.593 -11.112 1.00 0.00 N ATOM 167 CA ASP A 12 14.315 1.112 -9.789 1.00 0.00 C ATOM 168 C ASP A 12 13.199 2.032 -9.290 1.00 0.00 C ATOM 169 O ASP A 12 13.119 3.186 -9.663 1.00 0.00 O ATOM 170 CB ASP A 12 15.470 1.123 -8.786 1.00 0.00 C ATOM 171 CG ASP A 12 15.545 -0.232 -8.080 1.00 0.00 C ATOM 172 OD1 ASP A 12 16.025 -1.172 -8.691 1.00 0.00 O ATOM 173 OD2 ASP A 12 15.120 -0.307 -6.938 1.00 0.00 O ATOM 0 H ASP A 12 15.815 1.609 -11.222 1.00 0.00 H new ATOM 0 HA ASP A 12 13.931 0.097 -9.891 1.00 0.00 H new ATOM 0 HB2 ASP A 12 16.409 1.330 -9.299 1.00 0.00 H new ATOM 0 HB3 ASP A 12 15.324 1.918 -8.055 1.00 0.00 H new ATOM 178 N GLY A 13 12.336 1.532 -8.448 1.00 0.00 N ATOM 179 CA GLY A 13 11.227 2.378 -7.925 1.00 0.00 C ATOM 180 C GLY A 13 11.304 2.437 -6.399 1.00 0.00 C ATOM 181 O GLY A 13 11.038 1.467 -5.717 1.00 0.00 O ATOM 0 H GLY A 13 12.352 0.573 -8.100 1.00 0.00 H new ATOM 0 HA2 GLY A 13 11.295 3.383 -8.342 1.00 0.00 H new ATOM 0 HA3 GLY A 13 10.266 1.968 -8.235 1.00 0.00 H new ATOM 185 N GLU A 14 11.667 3.567 -5.856 1.00 0.00 N ATOM 186 CA GLU A 14 11.761 3.686 -4.374 1.00 0.00 C ATOM 187 C GLU A 14 10.525 4.415 -3.842 1.00 0.00 C ATOM 188 O GLU A 14 10.314 5.580 -4.117 1.00 0.00 O ATOM 189 CB GLU A 14 13.019 4.475 -4.004 1.00 0.00 C ATOM 190 CG GLU A 14 13.345 4.254 -2.526 1.00 0.00 C ATOM 191 CD GLU A 14 14.085 5.475 -1.978 1.00 0.00 C ATOM 192 OE1 GLU A 14 13.792 6.572 -2.427 1.00 0.00 O ATOM 193 OE2 GLU A 14 14.932 5.294 -1.119 1.00 0.00 O ATOM 0 H GLU A 14 11.902 4.413 -6.375 1.00 0.00 H new ATOM 0 HA GLU A 14 11.814 2.691 -3.932 1.00 0.00 H new ATOM 0 HB2 GLU A 14 13.857 4.155 -4.624 1.00 0.00 H new ATOM 0 HB3 GLU A 14 12.866 5.536 -4.199 1.00 0.00 H new ATOM 0 HG2 GLU A 14 12.428 4.088 -1.961 1.00 0.00 H new ATOM 0 HG3 GLU A 14 13.958 3.361 -2.408 1.00 0.00 H new ATOM 200 N VAL A 15 9.708 3.740 -3.081 1.00 0.00 N ATOM 201 CA VAL A 15 8.488 4.395 -2.533 1.00 0.00 C ATOM 202 C VAL A 15 8.895 5.587 -1.664 1.00 0.00 C ATOM 203 O VAL A 15 9.737 5.475 -0.795 1.00 0.00 O ATOM 204 CB VAL A 15 7.707 3.389 -1.684 1.00 0.00 C ATOM 205 CG1 VAL A 15 6.332 3.967 -1.344 1.00 0.00 C ATOM 206 CG2 VAL A 15 7.533 2.089 -2.471 1.00 0.00 C ATOM 0 H VAL A 15 9.833 2.763 -2.815 1.00 0.00 H new ATOM 0 HA VAL A 15 7.862 4.742 -3.355 1.00 0.00 H new ATOM 0 HB VAL A 15 8.253 3.188 -0.763 1.00 0.00 H new ATOM 0 HG11 VAL A 15 5.776 3.251 -0.739 1.00 0.00 H new ATOM 0 HG12 VAL A 15 6.455 4.895 -0.785 1.00 0.00 H new ATOM 0 HG13 VAL A 15 5.784 4.168 -2.265 1.00 0.00 H new ATOM 0 HG21 VAL A 15 6.977 1.371 -1.869 1.00 0.00 H new ATOM 0 HG22 VAL A 15 6.985 2.291 -3.391 1.00 0.00 H new ATOM 0 HG23 VAL A 15 8.512 1.677 -2.715 1.00 0.00 H new ATOM 216 N ILE A 16 8.305 6.729 -1.892 1.00 0.00 N ATOM 217 CA ILE A 16 8.659 7.925 -1.079 1.00 0.00 C ATOM 218 C ILE A 16 7.542 8.207 -0.072 1.00 0.00 C ATOM 219 O ILE A 16 7.789 8.631 1.040 1.00 0.00 O ATOM 220 CB ILE A 16 8.832 9.135 -2.000 1.00 0.00 C ATOM 221 CG1 ILE A 16 10.030 8.904 -2.924 1.00 0.00 C ATOM 222 CG2 ILE A 16 9.073 10.388 -1.157 1.00 0.00 C ATOM 223 CD1 ILE A 16 10.216 10.120 -3.833 1.00 0.00 C ATOM 0 H ILE A 16 7.593 6.884 -2.606 1.00 0.00 H new ATOM 0 HA ILE A 16 9.591 7.738 -0.545 1.00 0.00 H new ATOM 0 HB ILE A 16 7.931 9.268 -2.598 1.00 0.00 H new ATOM 0 HG12 ILE A 16 10.931 8.737 -2.334 1.00 0.00 H new ATOM 0 HG13 ILE A 16 9.872 8.008 -3.525 1.00 0.00 H new ATOM 0 HG21 ILE A 16 9.196 11.250 -1.813 1.00 0.00 H new ATOM 0 HG22 ILE A 16 8.221 10.553 -0.498 1.00 0.00 H new ATOM 0 HG23 ILE A 16 9.974 10.256 -0.558 1.00 0.00 H new ATOM 0 HD11 ILE A 16 11.069 9.955 -4.491 1.00 0.00 H new ATOM 0 HD12 ILE A 16 9.318 10.266 -4.433 1.00 0.00 H new ATOM 0 HD13 ILE A 16 10.394 11.006 -3.224 1.00 0.00 H new ATOM 235 N GLU A 17 6.316 7.974 -0.451 1.00 0.00 N ATOM 236 CA GLU A 17 5.185 8.228 0.487 1.00 0.00 C ATOM 237 C GLU A 17 3.921 7.549 -0.042 1.00 0.00 C ATOM 238 O GLU A 17 3.608 7.622 -1.214 1.00 0.00 O ATOM 239 CB GLU A 17 4.944 9.735 0.599 1.00 0.00 C ATOM 240 CG GLU A 17 3.717 9.993 1.475 1.00 0.00 C ATOM 241 CD GLU A 17 4.126 9.968 2.948 1.00 0.00 C ATOM 242 OE1 GLU A 17 4.990 10.748 3.316 1.00 0.00 O ATOM 243 OE2 GLU A 17 3.570 9.168 3.683 1.00 0.00 O ATOM 0 H GLU A 17 6.048 7.619 -1.369 1.00 0.00 H new ATOM 0 HA GLU A 17 5.431 7.824 1.469 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.819 10.223 1.028 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.793 10.164 -0.391 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.276 10.958 1.226 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.956 9.236 1.285 1.00 0.00 H new ATOM 250 N LEU A 18 3.191 6.887 0.813 1.00 0.00 N ATOM 251 CA LEU A 18 1.947 6.203 0.360 1.00 0.00 C ATOM 252 C LEU A 18 0.729 6.928 0.937 1.00 0.00 C ATOM 253 O LEU A 18 0.635 7.154 2.126 1.00 0.00 O ATOM 254 CB LEU A 18 1.955 4.753 0.846 1.00 0.00 C ATOM 255 CG LEU A 18 1.549 3.827 -0.302 1.00 0.00 C ATOM 256 CD1 LEU A 18 2.778 3.498 -1.151 1.00 0.00 C ATOM 257 CD2 LEU A 18 0.964 2.533 0.269 1.00 0.00 C ATOM 0 H LEU A 18 3.402 6.790 1.806 1.00 0.00 H new ATOM 0 HA LEU A 18 1.899 6.220 -0.729 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.947 4.486 1.209 1.00 0.00 H new ATOM 0 HB3 LEU A 18 1.267 4.635 1.683 1.00 0.00 H new ATOM 0 HG LEU A 18 0.801 4.323 -0.921 1.00 0.00 H new ATOM 0 HD11 LEU A 18 2.489 2.838 -1.969 1.00 0.00 H new ATOM 0 HD12 LEU A 18 3.196 4.419 -1.558 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.526 3.002 -0.532 1.00 0.00 H new ATOM 0 HD21 LEU A 18 0.674 1.873 -0.549 1.00 0.00 H new ATOM 0 HD22 LEU A 18 1.712 2.038 0.888 1.00 0.00 H new ATOM 0 HD23 LEU A 18 0.088 2.766 0.875 1.00 0.00 H new ATOM 269 N LEU A 19 -0.205 7.295 0.102 1.00 0.00 N ATOM 270 CA LEU A 19 -1.414 8.005 0.604 1.00 0.00 C ATOM 271 C LEU A 19 -2.653 7.141 0.354 1.00 0.00 C ATOM 272 O LEU A 19 -3.588 7.556 -0.304 1.00 0.00 O ATOM 273 CB LEU A 19 -1.565 9.339 -0.131 1.00 0.00 C ATOM 274 CG LEU A 19 -1.874 9.077 -1.606 1.00 0.00 C ATOM 275 CD1 LEU A 19 -3.229 9.693 -1.961 1.00 0.00 C ATOM 276 CD2 LEU A 19 -0.784 9.710 -2.474 1.00 0.00 C ATOM 0 H LEU A 19 -0.182 7.134 -0.905 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.309 8.190 1.673 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.365 9.926 0.320 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.649 9.923 -0.038 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.905 8.002 -1.786 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.449 9.506 -3.012 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.006 9.244 -1.342 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.198 10.768 -1.782 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.003 9.524 -3.526 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.754 10.785 -2.294 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.182 9.273 -2.221 1.00 0.00 H new ATOM 288 N VAL A 20 -2.668 5.945 0.874 1.00 0.00 N ATOM 289 CA VAL A 20 -3.846 5.057 0.665 1.00 0.00 C ATOM 290 C VAL A 20 -4.195 4.355 1.980 1.00 0.00 C ATOM 291 O VAL A 20 -3.368 4.216 2.858 1.00 0.00 O ATOM 292 CB VAL A 20 -3.513 4.009 -0.400 1.00 0.00 C ATOM 293 CG1 VAL A 20 -3.216 4.708 -1.728 1.00 0.00 C ATOM 294 CG2 VAL A 20 -2.286 3.208 0.041 1.00 0.00 C ATOM 0 H VAL A 20 -1.916 5.544 1.434 1.00 0.00 H new ATOM 0 HA VAL A 20 -4.696 5.653 0.334 1.00 0.00 H new ATOM 0 HB VAL A 20 -4.361 3.336 -0.526 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -2.979 3.962 -2.487 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -4.090 5.280 -2.042 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -2.368 5.381 -1.603 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.048 2.461 -0.716 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.438 3.881 0.167 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.497 2.710 0.987 1.00 0.00 H new ATOM 304 N LYS A 21 -5.415 3.915 2.122 1.00 0.00 N ATOM 305 CA LYS A 21 -5.815 3.225 3.380 1.00 0.00 C ATOM 306 C LYS A 21 -6.509 1.904 3.040 1.00 0.00 C ATOM 307 O LYS A 21 -7.027 1.725 1.956 1.00 0.00 O ATOM 308 CB LYS A 21 -6.777 4.118 4.168 1.00 0.00 C ATOM 309 CG LYS A 21 -6.392 4.104 5.649 1.00 0.00 C ATOM 310 CD LYS A 21 -7.600 4.512 6.494 1.00 0.00 C ATOM 311 CE LYS A 21 -7.430 3.979 7.918 1.00 0.00 C ATOM 312 NZ LYS A 21 -8.728 4.081 8.644 1.00 0.00 N ATOM 0 H LYS A 21 -6.151 4.003 1.422 1.00 0.00 H new ATOM 0 HA LYS A 21 -4.928 3.025 3.982 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -6.742 5.137 3.782 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -7.801 3.765 4.044 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -6.052 3.110 5.938 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -5.563 4.789 5.827 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -7.696 5.598 6.510 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -8.515 4.117 6.053 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -7.096 2.942 7.892 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -6.662 4.548 8.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -8.614 3.719 9.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -9.029 5.076 8.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -9.449 3.519 8.147 1.00 0.00 H new ATOM 326 N THR A 22 -6.524 0.978 3.959 1.00 0.00 N ATOM 327 CA THR A 22 -7.186 -0.329 3.687 1.00 0.00 C ATOM 328 C THR A 22 -8.696 -0.184 3.880 1.00 0.00 C ATOM 329 O THR A 22 -9.159 0.302 4.893 1.00 0.00 O ATOM 330 CB THR A 22 -6.646 -1.385 4.656 1.00 0.00 C ATOM 331 OG1 THR A 22 -7.070 -2.673 4.232 1.00 0.00 O ATOM 332 CG2 THR A 22 -7.176 -1.108 6.064 1.00 0.00 C ATOM 0 H THR A 22 -6.107 1.070 4.885 1.00 0.00 H new ATOM 0 HA THR A 22 -6.978 -0.636 2.662 1.00 0.00 H new ATOM 0 HB THR A 22 -5.557 -1.346 4.668 1.00 0.00 H new ATOM 0 HG1 THR A 22 -6.724 -3.351 4.850 1.00 0.00 H new ATOM 0 HG21 THR A 22 -6.791 -1.860 6.752 1.00 0.00 H new ATOM 0 HG22 THR A 22 -6.850 -0.119 6.387 1.00 0.00 H new ATOM 0 HG23 THR A 22 -8.265 -1.147 6.057 1.00 0.00 H new ATOM 340 N GLY A 23 -9.470 -0.603 2.916 1.00 0.00 N ATOM 341 CA GLY A 23 -10.950 -0.488 3.046 1.00 0.00 C ATOM 342 C GLY A 23 -11.411 0.852 2.467 1.00 0.00 C ATOM 343 O GLY A 23 -12.591 1.101 2.318 1.00 0.00 O ATOM 0 H GLY A 23 -9.142 -1.020 2.045 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -11.437 -1.310 2.521 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -11.241 -0.563 4.094 1.00 0.00 H new ATOM 347 N ASP A 24 -10.491 1.717 2.141 1.00 0.00 N ATOM 348 CA ASP A 24 -10.879 3.039 1.572 1.00 0.00 C ATOM 349 C ASP A 24 -11.147 2.889 0.073 1.00 0.00 C ATOM 350 O ASP A 24 -10.373 2.293 -0.649 1.00 0.00 O ATOM 351 CB ASP A 24 -9.744 4.042 1.791 1.00 0.00 C ATOM 352 CG ASP A 24 -9.894 4.689 3.168 1.00 0.00 C ATOM 353 OD1 ASP A 24 -10.525 4.085 4.020 1.00 0.00 O ATOM 354 OD2 ASP A 24 -9.374 5.779 3.348 1.00 0.00 O ATOM 0 H ASP A 24 -9.487 1.566 2.244 1.00 0.00 H new ATOM 0 HA ASP A 24 -11.781 3.398 2.068 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -8.780 3.538 1.717 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -9.765 4.806 1.014 1.00 0.00 H new ATOM 359 N LEU A 25 -12.239 3.424 -0.400 1.00 0.00 N ATOM 360 CA LEU A 25 -12.556 3.311 -1.851 1.00 0.00 C ATOM 361 C LEU A 25 -11.751 4.352 -2.632 1.00 0.00 C ATOM 362 O LEU A 25 -11.800 5.532 -2.345 1.00 0.00 O ATOM 363 CB LEU A 25 -14.051 3.556 -2.067 1.00 0.00 C ATOM 364 CG LEU A 25 -14.538 2.729 -3.257 1.00 0.00 C ATOM 365 CD1 LEU A 25 -15.269 1.484 -2.749 1.00 0.00 C ATOM 366 CD2 LEU A 25 -15.495 3.570 -4.105 1.00 0.00 C ATOM 0 H LEU A 25 -12.925 3.934 0.156 1.00 0.00 H new ATOM 0 HA LEU A 25 -12.297 2.312 -2.203 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -14.608 3.285 -1.170 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -14.234 4.615 -2.248 1.00 0.00 H new ATOM 0 HG LEU A 25 -13.684 2.427 -3.863 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -15.616 0.894 -3.597 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -14.589 0.884 -2.144 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -16.123 1.786 -2.143 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -15.843 2.981 -4.954 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -16.349 3.872 -3.499 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -14.976 4.457 -4.468 1.00 0.00 H new ATOM 378 N ILE A 26 -11.012 3.925 -3.619 1.00 0.00 N ATOM 379 CA ILE A 26 -10.204 4.885 -4.417 1.00 0.00 C ATOM 380 C ILE A 26 -11.018 5.341 -5.631 1.00 0.00 C ATOM 381 O ILE A 26 -12.192 5.049 -5.748 1.00 0.00 O ATOM 382 CB ILE A 26 -8.926 4.191 -4.886 1.00 0.00 C ATOM 383 CG1 ILE A 26 -8.450 3.216 -3.805 1.00 0.00 C ATOM 384 CG2 ILE A 26 -7.834 5.232 -5.142 1.00 0.00 C ATOM 385 CD1 ILE A 26 -7.124 2.586 -4.234 1.00 0.00 C ATOM 0 H ILE A 26 -10.934 2.949 -3.907 1.00 0.00 H new ATOM 0 HA ILE A 26 -9.946 5.752 -3.808 1.00 0.00 H new ATOM 0 HB ILE A 26 -9.131 3.648 -5.808 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -8.326 3.740 -2.857 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -9.199 2.440 -3.645 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -6.925 4.731 -5.476 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -8.168 5.928 -5.911 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -7.630 5.779 -4.221 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -6.785 1.892 -3.465 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -7.263 2.048 -5.172 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -6.377 3.368 -4.372 1.00 0.00 H new ATOM 397 N GLU A 27 -10.407 6.052 -6.537 1.00 0.00 N ATOM 398 CA GLU A 27 -11.148 6.524 -7.741 1.00 0.00 C ATOM 399 C GLU A 27 -10.231 6.455 -8.964 1.00 0.00 C ATOM 400 O GLU A 27 -9.022 6.422 -8.844 1.00 0.00 O ATOM 401 CB GLU A 27 -11.603 7.969 -7.526 1.00 0.00 C ATOM 402 CG GLU A 27 -10.542 8.725 -6.725 1.00 0.00 C ATOM 403 CD GLU A 27 -11.024 8.909 -5.284 1.00 0.00 C ATOM 404 OE1 GLU A 27 -11.158 7.911 -4.594 1.00 0.00 O ATOM 405 OE2 GLU A 27 -11.251 10.043 -4.896 1.00 0.00 O ATOM 0 H GLU A 27 -9.426 6.327 -6.496 1.00 0.00 H new ATOM 0 HA GLU A 27 -12.019 5.889 -7.903 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -11.765 8.457 -8.487 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -12.555 7.986 -6.996 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -9.601 8.175 -6.737 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -10.349 9.696 -7.182 1.00 0.00 H new ATOM 412 N VAL A 28 -10.795 6.434 -10.140 1.00 0.00 N ATOM 413 CA VAL A 28 -9.954 6.368 -11.369 1.00 0.00 C ATOM 414 C VAL A 28 -9.445 7.768 -11.714 1.00 0.00 C ATOM 415 O VAL A 28 -9.966 8.430 -12.590 1.00 0.00 O ATOM 416 CB VAL A 28 -10.790 5.827 -12.530 1.00 0.00 C ATOM 417 CG1 VAL A 28 -11.943 6.790 -12.822 1.00 0.00 C ATOM 418 CG2 VAL A 28 -9.909 5.698 -13.775 1.00 0.00 C ATOM 0 H VAL A 28 -11.801 6.460 -10.303 1.00 0.00 H new ATOM 0 HA VAL A 28 -9.105 5.707 -11.194 1.00 0.00 H new ATOM 0 HB VAL A 28 -11.191 4.849 -12.263 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -12.539 6.404 -13.649 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -12.571 6.885 -11.936 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -11.542 7.768 -13.089 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -10.504 5.312 -14.603 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -9.509 6.676 -14.040 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -9.086 5.013 -13.569 1.00 0.00 H new ATOM 428 N GLU A 29 -8.428 8.223 -11.034 1.00 0.00 N ATOM 429 CA GLU A 29 -7.880 9.578 -11.320 1.00 0.00 C ATOM 430 C GLU A 29 -7.014 10.034 -10.145 1.00 0.00 C ATOM 431 O GLU A 29 -6.002 10.683 -10.322 1.00 0.00 O ATOM 432 CB GLU A 29 -9.032 10.566 -11.520 1.00 0.00 C ATOM 433 CG GLU A 29 -9.166 10.900 -13.006 1.00 0.00 C ATOM 434 CD GLU A 29 -8.782 12.363 -13.238 1.00 0.00 C ATOM 435 OE1 GLU A 29 -7.922 12.849 -12.524 1.00 0.00 O ATOM 436 OE2 GLU A 29 -9.355 12.972 -14.127 1.00 0.00 O ATOM 0 H GLU A 29 -7.952 7.712 -10.290 1.00 0.00 H new ATOM 0 HA GLU A 29 -7.275 9.541 -12.226 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -9.962 10.137 -11.148 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -8.849 11.475 -10.947 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -8.523 10.247 -13.596 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -10.189 10.725 -13.338 1.00 0.00 H new ATOM 443 N GLN A 30 -7.403 9.701 -8.944 1.00 0.00 N ATOM 444 CA GLN A 30 -6.601 10.115 -7.758 1.00 0.00 C ATOM 445 C GLN A 30 -5.257 9.384 -7.771 1.00 0.00 C ATOM 446 O GLN A 30 -5.123 8.322 -8.346 1.00 0.00 O ATOM 447 CB GLN A 30 -7.363 9.763 -6.480 1.00 0.00 C ATOM 448 CG GLN A 30 -6.443 9.945 -5.270 1.00 0.00 C ATOM 449 CD GLN A 30 -7.272 9.895 -3.986 1.00 0.00 C ATOM 450 OE1 GLN A 30 -8.445 10.213 -3.992 1.00 0.00 O ATOM 451 NE2 GLN A 30 -6.708 9.504 -2.875 1.00 0.00 N ATOM 0 H GLN A 30 -8.242 9.160 -8.733 1.00 0.00 H new ATOM 0 HA GLN A 30 -6.429 11.191 -7.792 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -8.242 10.400 -6.381 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -7.719 8.734 -6.528 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -5.684 9.163 -5.256 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -5.918 10.898 -5.339 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -5.724 9.237 -2.869 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -7.252 9.466 -2.013 1.00 0.00 H new ATOM 460 N GLY A 31 -4.261 9.942 -7.140 1.00 0.00 N ATOM 461 CA GLY A 31 -2.927 9.277 -7.116 1.00 0.00 C ATOM 462 C GLY A 31 -2.946 8.128 -6.107 1.00 0.00 C ATOM 463 O GLY A 31 -3.861 7.995 -5.320 1.00 0.00 O ATOM 0 H GLY A 31 -4.313 10.830 -6.640 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -2.680 8.899 -8.108 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -2.155 9.998 -6.847 1.00 0.00 H new ATOM 467 N LEU A 32 -1.940 7.295 -6.124 1.00 0.00 N ATOM 468 CA LEU A 32 -1.901 6.156 -5.166 1.00 0.00 C ATOM 469 C LEU A 32 -0.545 6.132 -4.456 1.00 0.00 C ATOM 470 O LEU A 32 -0.460 5.886 -3.270 1.00 0.00 O ATOM 471 CB LEU A 32 -2.101 4.842 -5.926 1.00 0.00 C ATOM 472 CG LEU A 32 -2.872 3.857 -5.048 1.00 0.00 C ATOM 473 CD1 LEU A 32 -3.521 2.787 -5.929 1.00 0.00 C ATOM 474 CD2 LEU A 32 -1.909 3.189 -4.064 1.00 0.00 C ATOM 0 H LEU A 32 -1.145 7.355 -6.760 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.695 6.275 -4.429 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.647 5.025 -6.852 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.135 4.419 -6.203 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.645 4.392 -4.496 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.071 2.084 -5.303 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.207 3.261 -6.631 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.748 2.253 -6.481 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.458 2.486 -3.437 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.136 2.655 -4.617 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.445 3.949 -3.436 1.00 0.00 H new ATOM 486 N VAL A 33 0.515 6.387 -5.172 1.00 0.00 N ATOM 487 CA VAL A 33 1.862 6.378 -4.536 1.00 0.00 C ATOM 488 C VAL A 33 2.811 7.274 -5.336 1.00 0.00 C ATOM 489 O VAL A 33 2.517 7.674 -6.444 1.00 0.00 O ATOM 490 CB VAL A 33 2.407 4.949 -4.517 1.00 0.00 C ATOM 491 CG1 VAL A 33 1.343 4.004 -3.955 1.00 0.00 C ATOM 492 CG2 VAL A 33 2.766 4.522 -5.942 1.00 0.00 C ATOM 0 H VAL A 33 0.507 6.601 -6.169 1.00 0.00 H new ATOM 0 HA VAL A 33 1.784 6.752 -3.515 1.00 0.00 H new ATOM 0 HB VAL A 33 3.297 4.908 -3.889 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.731 2.986 -3.941 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.086 4.308 -2.940 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.453 4.044 -4.582 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.155 3.504 -5.930 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.876 4.563 -6.569 1.00 0.00 H new ATOM 0 HG23 VAL A 33 3.524 5.195 -6.343 1.00 0.00 H new ATOM 502 N VAL A 34 3.949 7.591 -4.781 1.00 0.00 N ATOM 503 CA VAL A 34 4.917 8.459 -5.509 1.00 0.00 C ATOM 504 C VAL A 34 6.320 7.865 -5.387 1.00 0.00 C ATOM 505 O VAL A 34 7.013 8.077 -4.411 1.00 0.00 O ATOM 506 CB VAL A 34 4.900 9.862 -4.900 1.00 0.00 C ATOM 507 CG1 VAL A 34 5.977 10.720 -5.566 1.00 0.00 C ATOM 508 CG2 VAL A 34 3.528 10.500 -5.128 1.00 0.00 C ATOM 0 H VAL A 34 4.250 7.286 -3.855 1.00 0.00 H new ATOM 0 HA VAL A 34 4.637 8.518 -6.561 1.00 0.00 H new ATOM 0 HB VAL A 34 5.098 9.796 -3.830 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.965 11.720 -5.132 1.00 0.00 H new ATOM 0 HG12 VAL A 34 6.955 10.266 -5.405 1.00 0.00 H new ATOM 0 HG13 VAL A 34 5.779 10.786 -6.636 1.00 0.00 H new ATOM 0 HG21 VAL A 34 3.515 11.500 -4.694 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.331 10.566 -6.198 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.759 9.889 -4.654 1.00 0.00 H new ATOM 518 N LEU A 35 6.746 7.121 -6.370 1.00 0.00 N ATOM 519 CA LEU A 35 8.105 6.512 -6.310 1.00 0.00 C ATOM 520 C LEU A 35 9.104 7.416 -7.035 1.00 0.00 C ATOM 521 O LEU A 35 8.730 8.289 -7.792 1.00 0.00 O ATOM 522 CB LEU A 35 8.079 5.138 -6.984 1.00 0.00 C ATOM 523 CG LEU A 35 6.810 4.391 -6.572 1.00 0.00 C ATOM 524 CD1 LEU A 35 6.014 4.007 -7.819 1.00 0.00 C ATOM 525 CD2 LEU A 35 7.193 3.124 -5.804 1.00 0.00 C ATOM 0 H LEU A 35 6.212 6.908 -7.213 1.00 0.00 H new ATOM 0 HA LEU A 35 8.406 6.401 -5.268 1.00 0.00 H new ATOM 0 HB2 LEU A 35 8.111 5.252 -8.068 1.00 0.00 H new ATOM 0 HB3 LEU A 35 8.960 4.564 -6.698 1.00 0.00 H new ATOM 0 HG LEU A 35 6.201 5.034 -5.937 1.00 0.00 H new ATOM 0 HD11 LEU A 35 5.110 3.475 -7.524 1.00 0.00 H new ATOM 0 HD12 LEU A 35 5.742 4.908 -8.369 1.00 0.00 H new ATOM 0 HD13 LEU A 35 6.622 3.364 -8.455 1.00 0.00 H new ATOM 0 HD21 LEU A 35 6.290 2.590 -5.509 1.00 0.00 H new ATOM 0 HD22 LEU A 35 7.802 2.483 -6.441 1.00 0.00 H new ATOM 0 HD23 LEU A 35 7.760 3.396 -4.914 1.00 0.00 H new ATOM 537 N GLU A 36 10.373 7.213 -6.810 1.00 0.00 N ATOM 538 CA GLU A 36 11.396 8.060 -7.486 1.00 0.00 C ATOM 539 C GLU A 36 12.068 7.254 -8.600 1.00 0.00 C ATOM 540 O GLU A 36 11.829 6.074 -8.756 1.00 0.00 O ATOM 541 CB GLU A 36 12.450 8.498 -6.467 1.00 0.00 C ATOM 542 CG GLU A 36 13.029 9.852 -6.882 1.00 0.00 C ATOM 543 CD GLU A 36 13.338 10.679 -5.633 1.00 0.00 C ATOM 544 OE1 GLU A 36 14.201 10.271 -4.874 1.00 0.00 O ATOM 545 OE2 GLU A 36 12.706 11.708 -5.458 1.00 0.00 O ATOM 0 H GLU A 36 10.746 6.497 -6.187 1.00 0.00 H new ATOM 0 HA GLU A 36 10.915 8.940 -7.912 1.00 0.00 H new ATOM 0 HB2 GLU A 36 12.004 8.570 -5.475 1.00 0.00 H new ATOM 0 HB3 GLU A 36 13.244 7.754 -6.407 1.00 0.00 H new ATOM 0 HG2 GLU A 36 13.936 9.707 -7.469 1.00 0.00 H new ATOM 0 HG3 GLU A 36 12.320 10.383 -7.517 1.00 0.00 H new ATOM 552 N SER A 37 12.906 7.884 -9.376 1.00 0.00 N ATOM 553 CA SER A 37 13.592 7.154 -10.479 1.00 0.00 C ATOM 554 C SER A 37 15.075 7.529 -10.495 1.00 0.00 C ATOM 555 O SER A 37 15.557 8.229 -9.627 1.00 0.00 O ATOM 556 CB SER A 37 12.955 7.534 -11.816 1.00 0.00 C ATOM 557 OG SER A 37 11.559 7.278 -11.761 1.00 0.00 O ATOM 0 H SER A 37 13.145 8.872 -9.294 1.00 0.00 H new ATOM 0 HA SER A 37 13.491 6.080 -10.321 1.00 0.00 H new ATOM 0 HB2 SER A 37 13.135 8.587 -12.031 1.00 0.00 H new ATOM 0 HB3 SER A 37 13.410 6.961 -12.624 1.00 0.00 H new ATOM 0 HG SER A 37 11.148 7.522 -12.616 1.00 0.00 H new ATOM 563 N ALA A 38 15.803 7.068 -11.475 1.00 0.00 N ATOM 564 CA ALA A 38 17.255 7.399 -11.544 1.00 0.00 C ATOM 565 C ALA A 38 17.452 8.888 -11.255 1.00 0.00 C ATOM 566 O ALA A 38 18.353 9.277 -10.538 1.00 0.00 O ATOM 567 CB ALA A 38 17.785 7.076 -12.943 1.00 0.00 C ATOM 0 H ALA A 38 15.456 6.477 -12.230 1.00 0.00 H new ATOM 0 HA ALA A 38 17.798 6.810 -10.805 1.00 0.00 H new ATOM 0 HB1 ALA A 38 18.847 7.318 -12.995 1.00 0.00 H new ATOM 0 HB2 ALA A 38 17.644 6.015 -13.150 1.00 0.00 H new ATOM 0 HB3 ALA A 38 17.242 7.665 -13.683 1.00 0.00 H new ATOM 573 N LYS A 39 16.616 9.725 -11.806 1.00 0.00 N ATOM 574 CA LYS A 39 16.757 11.188 -11.561 1.00 0.00 C ATOM 575 C LYS A 39 15.425 11.884 -11.847 1.00 0.00 C ATOM 576 O LYS A 39 15.385 12.963 -12.406 1.00 0.00 O ATOM 577 CB LYS A 39 17.838 11.757 -12.483 1.00 0.00 C ATOM 578 CG LYS A 39 18.170 13.189 -12.058 1.00 0.00 C ATOM 579 CD LYS A 39 19.659 13.457 -12.282 1.00 0.00 C ATOM 580 CE LYS A 39 19.833 14.450 -13.432 1.00 0.00 C ATOM 581 NZ LYS A 39 20.277 15.766 -12.889 1.00 0.00 N ATOM 0 H LYS A 39 15.842 9.459 -12.415 1.00 0.00 H new ATOM 0 HA LYS A 39 17.039 11.357 -10.522 1.00 0.00 H new ATOM 0 HB2 LYS A 39 18.733 11.136 -12.438 1.00 0.00 H new ATOM 0 HB3 LYS A 39 17.493 11.744 -13.517 1.00 0.00 H new ATOM 0 HG2 LYS A 39 17.572 13.897 -12.631 1.00 0.00 H new ATOM 0 HG3 LYS A 39 17.917 13.335 -11.008 1.00 0.00 H new ATOM 0 HD2 LYS A 39 20.108 13.856 -11.372 1.00 0.00 H new ATOM 0 HD3 LYS A 39 20.176 12.525 -12.511 1.00 0.00 H new ATOM 0 HE2 LYS A 39 20.566 14.073 -14.145 1.00 0.00 H new ATOM 0 HE3 LYS A 39 18.893 14.566 -13.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 20.396 16.442 -13.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 19.562 16.126 -12.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 21.183 15.649 -12.392 1.00 0.00 H new ATOM 595 N ALA A 40 14.333 11.277 -11.469 1.00 0.00 N ATOM 596 CA ALA A 40 13.006 11.907 -11.722 1.00 0.00 C ATOM 597 C ALA A 40 12.016 11.461 -10.644 1.00 0.00 C ATOM 598 O ALA A 40 12.400 11.067 -9.560 1.00 0.00 O ATOM 599 CB ALA A 40 12.491 11.478 -13.097 1.00 0.00 C ATOM 0 H ALA A 40 14.302 10.373 -10.997 1.00 0.00 H new ATOM 0 HA ALA A 40 13.108 12.992 -11.695 1.00 0.00 H new ATOM 0 HB1 ALA A 40 11.521 11.939 -13.282 1.00 0.00 H new ATOM 0 HB2 ALA A 40 13.196 11.796 -13.865 1.00 0.00 H new ATOM 0 HB3 ALA A 40 12.389 10.393 -13.125 1.00 0.00 H new ATOM 605 N SER A 41 10.745 11.517 -10.932 1.00 0.00 N ATOM 606 CA SER A 41 9.733 11.097 -9.924 1.00 0.00 C ATOM 607 C SER A 41 8.428 10.728 -10.633 1.00 0.00 C ATOM 608 O SER A 41 7.709 11.581 -11.115 1.00 0.00 O ATOM 609 CB SER A 41 9.475 12.246 -8.949 1.00 0.00 C ATOM 610 OG SER A 41 10.243 12.044 -7.770 1.00 0.00 O ATOM 0 H SER A 41 10.364 11.836 -11.823 1.00 0.00 H new ATOM 0 HA SER A 41 10.106 10.232 -9.375 1.00 0.00 H new ATOM 0 HB2 SER A 41 9.741 13.197 -9.411 1.00 0.00 H new ATOM 0 HB3 SER A 41 8.415 12.297 -8.702 1.00 0.00 H new ATOM 0 HG SER A 41 11.197 12.099 -7.988 1.00 0.00 H new ATOM 616 N MET A 42 8.115 9.463 -10.699 1.00 0.00 N ATOM 617 CA MET A 42 6.858 9.039 -11.377 1.00 0.00 C ATOM 618 C MET A 42 5.782 8.759 -10.326 1.00 0.00 C ATOM 619 O MET A 42 6.075 8.358 -9.216 1.00 0.00 O ATOM 620 CB MET A 42 7.119 7.770 -12.190 1.00 0.00 C ATOM 621 CG MET A 42 5.788 7.167 -12.642 1.00 0.00 C ATOM 622 SD MET A 42 5.961 6.511 -14.319 1.00 0.00 S ATOM 623 CE MET A 42 6.482 8.051 -15.113 1.00 0.00 C ATOM 0 H MET A 42 8.676 8.704 -10.312 1.00 0.00 H new ATOM 0 HA MET A 42 6.519 9.833 -12.043 1.00 0.00 H new ATOM 0 HB2 MET A 42 7.738 8.002 -13.057 1.00 0.00 H new ATOM 0 HB3 MET A 42 7.671 7.048 -11.589 1.00 0.00 H new ATOM 0 HG2 MET A 42 5.486 6.373 -11.959 1.00 0.00 H new ATOM 0 HG3 MET A 42 5.005 7.925 -12.616 1.00 0.00 H new ATOM 0 HE1 MET A 42 6.074 8.096 -16.123 1.00 0.00 H new ATOM 0 HE2 MET A 42 6.116 8.900 -14.536 1.00 0.00 H new ATOM 0 HE3 MET A 42 7.570 8.086 -15.160 1.00 0.00 H new ATOM 633 N GLU A 43 4.539 8.969 -10.663 1.00 0.00 N ATOM 634 CA GLU A 43 3.447 8.714 -9.682 1.00 0.00 C ATOM 635 C GLU A 43 2.593 7.539 -10.160 1.00 0.00 C ATOM 636 O GLU A 43 2.655 7.138 -11.305 1.00 0.00 O ATOM 637 CB GLU A 43 2.572 9.964 -9.559 1.00 0.00 C ATOM 638 CG GLU A 43 3.457 11.183 -9.290 1.00 0.00 C ATOM 639 CD GLU A 43 2.725 12.150 -8.358 1.00 0.00 C ATOM 640 OE1 GLU A 43 1.509 12.206 -8.434 1.00 0.00 O ATOM 641 OE2 GLU A 43 3.393 12.817 -7.586 1.00 0.00 O ATOM 0 H GLU A 43 4.233 9.306 -11.576 1.00 0.00 H new ATOM 0 HA GLU A 43 3.880 8.475 -8.711 1.00 0.00 H new ATOM 0 HB2 GLU A 43 2.000 10.112 -10.475 1.00 0.00 H new ATOM 0 HB3 GLU A 43 1.852 9.839 -8.750 1.00 0.00 H new ATOM 0 HG2 GLU A 43 4.399 10.870 -8.839 1.00 0.00 H new ATOM 0 HG3 GLU A 43 3.703 11.681 -10.228 1.00 0.00 H new ATOM 648 N VAL A 44 1.794 6.983 -9.290 1.00 0.00 N ATOM 649 CA VAL A 44 0.935 5.834 -9.693 1.00 0.00 C ATOM 650 C VAL A 44 -0.414 5.932 -8.969 1.00 0.00 C ATOM 651 O VAL A 44 -0.512 5.598 -7.806 1.00 0.00 O ATOM 652 CB VAL A 44 1.624 4.525 -9.304 1.00 0.00 C ATOM 653 CG1 VAL A 44 0.846 3.345 -9.890 1.00 0.00 C ATOM 654 CG2 VAL A 44 3.052 4.517 -9.855 1.00 0.00 C ATOM 0 H VAL A 44 1.699 7.275 -8.317 1.00 0.00 H new ATOM 0 HA VAL A 44 0.775 5.857 -10.771 1.00 0.00 H new ATOM 0 HB VAL A 44 1.652 4.439 -8.218 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.337 2.412 -9.613 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.171 3.350 -9.499 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.818 3.431 -10.976 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.544 3.584 -9.578 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.023 4.604 -10.941 1.00 0.00 H new ATOM 0 HG23 VAL A 44 3.607 5.357 -9.439 1.00 0.00 H new ATOM 664 N PRO A 45 -1.414 6.390 -9.679 1.00 0.00 N ATOM 665 CA PRO A 45 -2.770 6.546 -9.124 1.00 0.00 C ATOM 666 C PRO A 45 -3.475 5.191 -9.040 1.00 0.00 C ATOM 667 O PRO A 45 -2.868 4.150 -9.203 1.00 0.00 O ATOM 668 CB PRO A 45 -3.469 7.463 -10.131 1.00 0.00 C ATOM 669 CG PRO A 45 -2.692 7.322 -11.460 1.00 0.00 C ATOM 670 CD PRO A 45 -1.291 6.794 -11.095 1.00 0.00 C ATOM 0 HA PRO A 45 -2.773 6.952 -8.112 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -4.513 7.176 -10.259 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -3.463 8.497 -9.785 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -3.201 6.635 -12.136 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -2.623 8.281 -11.973 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -1.006 5.952 -11.726 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -0.529 7.563 -11.225 1.00 0.00 H new ATOM 678 N SER A 46 -4.753 5.196 -8.782 1.00 0.00 N ATOM 679 CA SER A 46 -5.502 3.912 -8.682 1.00 0.00 C ATOM 680 C SER A 46 -5.944 3.466 -10.083 1.00 0.00 C ATOM 681 O SER A 46 -6.708 4.154 -10.731 1.00 0.00 O ATOM 682 CB SER A 46 -6.736 4.114 -7.803 1.00 0.00 C ATOM 683 OG SER A 46 -7.744 3.188 -8.189 1.00 0.00 O ATOM 0 H SER A 46 -5.313 6.036 -8.636 1.00 0.00 H new ATOM 0 HA SER A 46 -4.859 3.149 -8.243 1.00 0.00 H new ATOM 0 HB2 SER A 46 -6.477 3.971 -6.754 1.00 0.00 H new ATOM 0 HB3 SER A 46 -7.105 5.135 -7.904 1.00 0.00 H new ATOM 0 HG SER A 46 -8.013 2.655 -7.412 1.00 0.00 H new ATOM 689 N PRO A 47 -5.456 2.327 -10.510 1.00 0.00 N ATOM 690 CA PRO A 47 -5.794 1.771 -11.832 1.00 0.00 C ATOM 691 C PRO A 47 -7.182 1.124 -11.797 1.00 0.00 C ATOM 692 O PRO A 47 -7.636 0.551 -12.767 1.00 0.00 O ATOM 693 CB PRO A 47 -4.707 0.720 -12.069 1.00 0.00 C ATOM 694 CG PRO A 47 -4.163 0.333 -10.673 1.00 0.00 C ATOM 695 CD PRO A 47 -4.528 1.490 -9.724 1.00 0.00 C ATOM 0 HA PRO A 47 -5.828 2.524 -12.619 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -5.114 -0.151 -12.582 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -3.912 1.119 -12.699 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -4.604 -0.603 -10.331 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -3.084 0.184 -10.705 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -4.999 1.123 -8.812 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -3.644 2.052 -9.423 1.00 0.00 H new ATOM 703 N LYS A 48 -7.859 1.214 -10.685 1.00 0.00 N ATOM 704 CA LYS A 48 -9.216 0.607 -10.586 1.00 0.00 C ATOM 705 C LYS A 48 -9.979 1.253 -9.427 1.00 0.00 C ATOM 706 O LYS A 48 -9.471 1.375 -8.330 1.00 0.00 O ATOM 707 CB LYS A 48 -9.085 -0.897 -10.334 1.00 0.00 C ATOM 708 CG LYS A 48 -10.476 -1.511 -10.166 1.00 0.00 C ATOM 709 CD LYS A 48 -10.920 -2.139 -11.489 1.00 0.00 C ATOM 710 CE LYS A 48 -12.366 -1.736 -11.785 1.00 0.00 C ATOM 711 NZ LYS A 48 -12.855 -2.481 -12.980 1.00 0.00 N ATOM 0 H LYS A 48 -7.531 1.682 -9.840 1.00 0.00 H new ATOM 0 HA LYS A 48 -9.758 0.774 -11.517 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.565 -1.372 -11.166 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -8.487 -1.076 -9.440 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -10.459 -2.266 -9.380 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -11.188 -0.746 -9.857 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -10.267 -1.810 -12.297 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -10.838 -3.225 -11.434 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -12.999 -1.953 -10.924 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -12.426 -0.662 -11.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -13.838 -2.207 -13.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -12.257 -2.253 -13.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -12.812 -3.503 -12.794 1.00 0.00 H new ATOM 725 N ALA A 49 -11.192 1.671 -9.662 1.00 0.00 N ATOM 726 CA ALA A 49 -11.983 2.312 -8.574 1.00 0.00 C ATOM 727 C ALA A 49 -12.663 1.230 -7.731 1.00 0.00 C ATOM 728 O ALA A 49 -13.785 0.842 -7.990 1.00 0.00 O ATOM 729 CB ALA A 49 -13.047 3.225 -9.185 1.00 0.00 C ATOM 0 H ALA A 49 -11.670 1.596 -10.560 1.00 0.00 H new ATOM 0 HA ALA A 49 -11.318 2.901 -7.942 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -13.625 3.694 -8.389 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -12.564 3.996 -9.785 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -13.711 2.637 -9.818 1.00 0.00 H new ATOM 735 N GLY A 50 -11.993 0.741 -6.723 1.00 0.00 N ATOM 736 CA GLY A 50 -12.602 -0.314 -5.865 1.00 0.00 C ATOM 737 C GLY A 50 -12.249 -0.049 -4.401 1.00 0.00 C ATOM 738 O GLY A 50 -12.027 1.076 -4.000 1.00 0.00 O ATOM 0 H GLY A 50 -11.051 1.027 -6.457 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -13.684 -0.322 -5.993 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -12.238 -1.297 -6.166 1.00 0.00 H new ATOM 742 N VAL A 51 -12.195 -1.076 -3.598 1.00 0.00 N ATOM 743 CA VAL A 51 -11.855 -0.881 -2.160 1.00 0.00 C ATOM 744 C VAL A 51 -10.505 -1.536 -1.862 1.00 0.00 C ATOM 745 O VAL A 51 -10.273 -2.680 -2.198 1.00 0.00 O ATOM 746 CB VAL A 51 -12.936 -1.522 -1.289 1.00 0.00 C ATOM 747 CG1 VAL A 51 -12.827 -3.045 -1.374 1.00 0.00 C ATOM 748 CG2 VAL A 51 -12.747 -1.079 0.164 1.00 0.00 C ATOM 0 H VAL A 51 -12.372 -2.042 -3.875 1.00 0.00 H new ATOM 0 HA VAL A 51 -11.798 0.185 -1.942 1.00 0.00 H new ATOM 0 HB VAL A 51 -13.919 -1.209 -1.642 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -13.598 -3.500 -0.753 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -12.960 -3.362 -2.408 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -11.845 -3.360 -1.022 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -13.517 -1.535 0.786 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -11.764 -1.392 0.515 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -12.826 0.006 0.227 1.00 0.00 H new ATOM 758 N VAL A 52 -9.612 -0.820 -1.235 1.00 0.00 N ATOM 759 CA VAL A 52 -8.279 -1.404 -0.918 1.00 0.00 C ATOM 760 C VAL A 52 -8.464 -2.696 -0.119 1.00 0.00 C ATOM 761 O VAL A 52 -9.136 -2.719 0.893 1.00 0.00 O ATOM 762 CB VAL A 52 -7.467 -0.406 -0.092 1.00 0.00 C ATOM 763 CG1 VAL A 52 -6.117 -1.025 0.277 1.00 0.00 C ATOM 764 CG2 VAL A 52 -7.237 0.867 -0.910 1.00 0.00 C ATOM 0 H VAL A 52 -9.748 0.143 -0.929 1.00 0.00 H new ATOM 0 HA VAL A 52 -7.750 -1.623 -1.845 1.00 0.00 H new ATOM 0 HB VAL A 52 -8.014 -0.160 0.818 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -5.539 -0.313 0.866 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -6.280 -1.931 0.861 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -5.570 -1.273 -0.632 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -6.658 1.578 -0.321 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -6.691 0.621 -1.821 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -8.198 1.310 -1.172 1.00 0.00 H new ATOM 774 N LYS A 53 -7.875 -3.771 -0.565 1.00 0.00 N ATOM 775 CA LYS A 53 -8.018 -5.058 0.171 1.00 0.00 C ATOM 776 C LYS A 53 -6.895 -5.182 1.203 1.00 0.00 C ATOM 777 O LYS A 53 -7.119 -5.558 2.336 1.00 0.00 O ATOM 778 CB LYS A 53 -7.933 -6.224 -0.817 1.00 0.00 C ATOM 779 CG LYS A 53 -8.807 -7.378 -0.323 1.00 0.00 C ATOM 780 CD LYS A 53 -7.988 -8.279 0.604 1.00 0.00 C ATOM 781 CE LYS A 53 -8.710 -8.423 1.945 1.00 0.00 C ATOM 782 NZ LYS A 53 -7.913 -9.304 2.846 1.00 0.00 N ATOM 0 H LYS A 53 -7.301 -3.814 -1.407 1.00 0.00 H new ATOM 0 HA LYS A 53 -8.983 -5.081 0.678 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -8.262 -5.902 -1.805 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -6.899 -6.554 -0.918 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -9.677 -6.989 0.206 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -9.181 -7.954 -1.170 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -7.849 -9.259 0.147 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -6.996 -7.855 0.757 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -8.847 -7.444 2.404 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -9.703 -8.845 1.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -8.403 -9.402 3.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -7.805 -10.241 2.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -6.974 -8.884 3.001 1.00 0.00 H new ATOM 796 N SER A 54 -5.689 -4.869 0.819 1.00 0.00 N ATOM 797 CA SER A 54 -4.552 -4.969 1.777 1.00 0.00 C ATOM 798 C SER A 54 -3.299 -4.357 1.145 1.00 0.00 C ATOM 799 O SER A 54 -3.021 -4.555 -0.021 1.00 0.00 O ATOM 800 CB SER A 54 -4.290 -6.438 2.108 1.00 0.00 C ATOM 801 OG SER A 54 -4.079 -7.161 0.902 1.00 0.00 O ATOM 0 H SER A 54 -5.441 -4.548 -0.117 1.00 0.00 H new ATOM 0 HA SER A 54 -4.799 -4.430 2.692 1.00 0.00 H new ATOM 0 HB2 SER A 54 -3.418 -6.527 2.756 1.00 0.00 H new ATOM 0 HB3 SER A 54 -5.136 -6.856 2.653 1.00 0.00 H new ATOM 0 HG SER A 54 -3.909 -8.103 1.111 1.00 0.00 H new ATOM 807 N VAL A 55 -2.542 -3.615 1.906 1.00 0.00 N ATOM 808 CA VAL A 55 -1.309 -2.992 1.348 1.00 0.00 C ATOM 809 C VAL A 55 -0.112 -3.910 1.602 1.00 0.00 C ATOM 810 O VAL A 55 0.250 -4.177 2.730 1.00 0.00 O ATOM 811 CB VAL A 55 -1.068 -1.641 2.025 1.00 0.00 C ATOM 812 CG1 VAL A 55 -0.045 -0.840 1.217 1.00 0.00 C ATOM 813 CG2 VAL A 55 -2.385 -0.864 2.092 1.00 0.00 C ATOM 0 H VAL A 55 -2.724 -3.413 2.889 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.432 -2.844 0.275 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.688 -1.802 3.034 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.127 0.122 1.699 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.893 -1.393 1.167 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.425 -0.678 0.208 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -2.215 0.099 2.574 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.764 -0.703 1.083 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -3.115 -1.434 2.667 1.00 0.00 H new ATOM 823 N SER A 56 0.507 -4.395 0.560 1.00 0.00 N ATOM 824 CA SER A 56 1.681 -5.294 0.742 1.00 0.00 C ATOM 825 C SER A 56 2.965 -4.464 0.738 1.00 0.00 C ATOM 826 O SER A 56 4.055 -4.988 0.627 1.00 0.00 O ATOM 827 CB SER A 56 1.727 -6.309 -0.400 1.00 0.00 C ATOM 828 OG SER A 56 0.881 -5.869 -1.454 1.00 0.00 O ATOM 0 H SER A 56 0.250 -4.207 -0.409 1.00 0.00 H new ATOM 0 HA SER A 56 1.592 -5.820 1.693 1.00 0.00 H new ATOM 0 HB2 SER A 56 2.749 -6.421 -0.761 1.00 0.00 H new ATOM 0 HB3 SER A 56 1.406 -7.288 -0.045 1.00 0.00 H new ATOM 0 HG SER A 56 1.272 -5.077 -1.879 1.00 0.00 H new ATOM 834 N VAL A 57 2.845 -3.170 0.858 1.00 0.00 N ATOM 835 CA VAL A 57 4.059 -2.306 0.860 1.00 0.00 C ATOM 836 C VAL A 57 3.884 -1.183 1.885 1.00 0.00 C ATOM 837 O VAL A 57 2.823 -1.004 2.449 1.00 0.00 O ATOM 838 CB VAL A 57 4.256 -1.700 -0.530 1.00 0.00 C ATOM 839 CG1 VAL A 57 4.887 -2.741 -1.457 1.00 0.00 C ATOM 840 CG2 VAL A 57 2.900 -1.271 -1.095 1.00 0.00 C ATOM 0 H VAL A 57 1.959 -2.674 0.955 1.00 0.00 H new ATOM 0 HA VAL A 57 4.931 -2.905 1.122 1.00 0.00 H new ATOM 0 HB VAL A 57 4.912 -0.833 -0.458 1.00 0.00 H new ATOM 0 HG11 VAL A 57 5.027 -2.309 -2.448 1.00 0.00 H new ATOM 0 HG12 VAL A 57 5.853 -3.048 -1.055 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.231 -3.609 -1.529 1.00 0.00 H new ATOM 0 HG21 VAL A 57 3.039 -0.839 -2.086 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.245 -2.139 -1.166 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.449 -0.529 -0.436 1.00 0.00 H new ATOM 850 N LYS A 58 4.918 -0.425 2.131 1.00 0.00 N ATOM 851 CA LYS A 58 4.810 0.686 3.119 1.00 0.00 C ATOM 852 C LYS A 58 5.584 1.901 2.604 1.00 0.00 C ATOM 853 O LYS A 58 6.541 1.773 1.867 1.00 0.00 O ATOM 854 CB LYS A 58 5.397 0.236 4.458 1.00 0.00 C ATOM 855 CG LYS A 58 4.661 0.938 5.601 1.00 0.00 C ATOM 856 CD LYS A 58 5.656 1.767 6.416 1.00 0.00 C ATOM 857 CE LYS A 58 6.009 1.021 7.703 1.00 0.00 C ATOM 858 NZ LYS A 58 5.249 1.610 8.843 1.00 0.00 N ATOM 0 H LYS A 58 5.832 -0.527 1.691 1.00 0.00 H new ATOM 0 HA LYS A 58 3.762 0.953 3.254 1.00 0.00 H new ATOM 0 HB2 LYS A 58 5.305 -0.845 4.562 1.00 0.00 H new ATOM 0 HB3 LYS A 58 6.461 0.471 4.498 1.00 0.00 H new ATOM 0 HG2 LYS A 58 3.877 1.581 5.202 1.00 0.00 H new ATOM 0 HG3 LYS A 58 4.175 0.202 6.241 1.00 0.00 H new ATOM 0 HD2 LYS A 58 6.557 1.951 5.831 1.00 0.00 H new ATOM 0 HD3 LYS A 58 5.226 2.740 6.654 1.00 0.00 H new ATOM 0 HE2 LYS A 58 5.769 -0.037 7.600 1.00 0.00 H new ATOM 0 HE3 LYS A 58 7.080 1.088 7.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 5.489 1.103 9.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 5.499 2.614 8.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 4.229 1.524 8.661 1.00 0.00 H new ATOM 872 N LEU A 59 5.177 3.080 2.986 1.00 0.00 N ATOM 873 CA LEU A 59 5.890 4.302 2.518 1.00 0.00 C ATOM 874 C LEU A 59 7.366 4.212 2.907 1.00 0.00 C ATOM 875 O LEU A 59 7.709 3.767 3.986 1.00 0.00 O ATOM 876 CB LEU A 59 5.265 5.538 3.168 1.00 0.00 C ATOM 877 CG LEU A 59 5.586 5.545 4.663 1.00 0.00 C ATOM 878 CD1 LEU A 59 6.646 6.609 4.954 1.00 0.00 C ATOM 879 CD2 LEU A 59 4.316 5.863 5.455 1.00 0.00 C ATOM 0 H LEU A 59 4.382 3.250 3.602 1.00 0.00 H new ATOM 0 HA LEU A 59 5.805 4.380 1.434 1.00 0.00 H new ATOM 0 HB2 LEU A 59 5.650 6.443 2.698 1.00 0.00 H new ATOM 0 HB3 LEU A 59 4.186 5.535 3.017 1.00 0.00 H new ATOM 0 HG LEU A 59 5.964 4.566 4.957 1.00 0.00 H new ATOM 0 HD11 LEU A 59 6.874 6.613 6.020 1.00 0.00 H new ATOM 0 HD12 LEU A 59 7.551 6.384 4.390 1.00 0.00 H new ATOM 0 HD13 LEU A 59 6.269 7.588 4.660 1.00 0.00 H new ATOM 0 HD21 LEU A 59 4.544 5.868 6.521 1.00 0.00 H new ATOM 0 HD22 LEU A 59 3.939 6.842 5.160 1.00 0.00 H new ATOM 0 HD23 LEU A 59 3.560 5.106 5.249 1.00 0.00 H new ATOM 891 N GLY A 60 8.246 4.629 2.038 1.00 0.00 N ATOM 892 CA GLY A 60 9.700 4.567 2.359 1.00 0.00 C ATOM 893 C GLY A 60 10.269 3.221 1.907 1.00 0.00 C ATOM 894 O GLY A 60 11.463 2.998 1.942 1.00 0.00 O ATOM 0 H GLY A 60 8.021 5.010 1.119 1.00 0.00 H new ATOM 0 HA2 GLY A 60 10.227 5.381 1.862 1.00 0.00 H new ATOM 0 HA3 GLY A 60 9.852 4.696 3.431 1.00 0.00 H new ATOM 898 N ASP A 61 9.425 2.321 1.481 1.00 0.00 N ATOM 899 CA ASP A 61 9.920 0.990 1.028 1.00 0.00 C ATOM 900 C ASP A 61 10.668 1.149 -0.297 1.00 0.00 C ATOM 901 O ASP A 61 10.791 2.235 -0.826 1.00 0.00 O ATOM 902 CB ASP A 61 8.733 0.044 0.833 1.00 0.00 C ATOM 903 CG ASP A 61 8.353 -0.580 2.177 1.00 0.00 C ATOM 904 OD1 ASP A 61 8.683 0.006 3.195 1.00 0.00 O ATOM 905 OD2 ASP A 61 7.738 -1.633 2.167 1.00 0.00 O ATOM 0 H ASP A 61 8.415 2.450 1.427 1.00 0.00 H new ATOM 0 HA ASP A 61 10.594 0.578 1.779 1.00 0.00 H new ATOM 0 HB2 ASP A 61 7.884 0.589 0.420 1.00 0.00 H new ATOM 0 HB3 ASP A 61 8.990 -0.737 0.117 1.00 0.00 H new ATOM 910 N LYS A 62 11.170 0.072 -0.839 1.00 0.00 N ATOM 911 CA LYS A 62 11.911 0.162 -2.129 1.00 0.00 C ATOM 912 C LYS A 62 11.809 -1.173 -2.869 1.00 0.00 C ATOM 913 O LYS A 62 12.299 -2.186 -2.411 1.00 0.00 O ATOM 914 CB LYS A 62 13.381 0.481 -1.852 1.00 0.00 C ATOM 915 CG LYS A 62 13.877 -0.372 -0.682 1.00 0.00 C ATOM 916 CD LYS A 62 15.404 -0.297 -0.607 1.00 0.00 C ATOM 917 CE LYS A 62 15.821 1.045 -0.003 1.00 0.00 C ATOM 918 NZ LYS A 62 15.627 1.006 1.475 1.00 0.00 N ATOM 0 H LYS A 62 11.099 -0.866 -0.444 1.00 0.00 H new ATOM 0 HA LYS A 62 11.478 0.952 -2.743 1.00 0.00 H new ATOM 0 HB2 LYS A 62 13.981 0.283 -2.740 1.00 0.00 H new ATOM 0 HB3 LYS A 62 13.497 1.539 -1.619 1.00 0.00 H new ATOM 0 HG2 LYS A 62 13.439 -0.018 0.251 1.00 0.00 H new ATOM 0 HG3 LYS A 62 13.559 -1.406 -0.812 1.00 0.00 H new ATOM 0 HD2 LYS A 62 15.789 -1.116 -0.000 1.00 0.00 H new ATOM 0 HD3 LYS A 62 15.833 -0.409 -1.603 1.00 0.00 H new ATOM 0 HE2 LYS A 62 16.865 1.253 -0.238 1.00 0.00 H new ATOM 0 HE3 LYS A 62 15.229 1.851 -0.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 16.136 1.800 1.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 14.613 1.081 1.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 15.996 0.109 1.850 1.00 0.00 H new ATOM 932 N LEU A 63 11.178 -1.183 -4.012 1.00 0.00 N ATOM 933 CA LEU A 63 11.047 -2.453 -4.780 1.00 0.00 C ATOM 934 C LEU A 63 11.448 -2.212 -6.236 1.00 0.00 C ATOM 935 O LEU A 63 11.891 -1.140 -6.599 1.00 0.00 O ATOM 936 CB LEU A 63 9.595 -2.936 -4.723 1.00 0.00 C ATOM 937 CG LEU A 63 9.288 -3.467 -3.323 1.00 0.00 C ATOM 938 CD1 LEU A 63 8.477 -2.426 -2.549 1.00 0.00 C ATOM 939 CD2 LEU A 63 8.478 -4.760 -3.437 1.00 0.00 C ATOM 0 H LEU A 63 10.748 -0.367 -4.447 1.00 0.00 H new ATOM 0 HA LEU A 63 11.699 -3.210 -4.345 1.00 0.00 H new ATOM 0 HB2 LEU A 63 8.919 -2.118 -4.969 1.00 0.00 H new ATOM 0 HB3 LEU A 63 9.432 -3.718 -5.464 1.00 0.00 H new ATOM 0 HG LEU A 63 10.221 -3.666 -2.796 1.00 0.00 H new ATOM 0 HD11 LEU A 63 8.258 -2.804 -1.551 1.00 0.00 H new ATOM 0 HD12 LEU A 63 9.051 -1.503 -2.469 1.00 0.00 H new ATOM 0 HD13 LEU A 63 7.543 -2.228 -3.075 1.00 0.00 H new ATOM 0 HD21 LEU A 63 8.258 -5.141 -2.440 1.00 0.00 H new ATOM 0 HD22 LEU A 63 7.545 -4.559 -3.963 1.00 0.00 H new ATOM 0 HD23 LEU A 63 9.054 -5.502 -3.990 1.00 0.00 H new ATOM 951 N LYS A 64 11.297 -3.201 -7.075 1.00 0.00 N ATOM 952 CA LYS A 64 11.670 -3.027 -8.507 1.00 0.00 C ATOM 953 C LYS A 64 10.432 -3.219 -9.384 1.00 0.00 C ATOM 954 O LYS A 64 9.572 -4.026 -9.092 1.00 0.00 O ATOM 955 CB LYS A 64 12.730 -4.064 -8.888 1.00 0.00 C ATOM 956 CG LYS A 64 13.737 -3.434 -9.852 1.00 0.00 C ATOM 957 CD LYS A 64 13.882 -4.321 -11.091 1.00 0.00 C ATOM 958 CE LYS A 64 15.242 -4.068 -11.744 1.00 0.00 C ATOM 959 NZ LYS A 64 16.274 -4.921 -11.089 1.00 0.00 N ATOM 0 H LYS A 64 10.932 -4.121 -6.830 1.00 0.00 H new ATOM 0 HA LYS A 64 12.071 -2.025 -8.658 1.00 0.00 H new ATOM 0 HB2 LYS A 64 13.241 -4.422 -7.994 1.00 0.00 H new ATOM 0 HB3 LYS A 64 12.257 -4.929 -9.353 1.00 0.00 H new ATOM 0 HG2 LYS A 64 13.404 -2.437 -10.142 1.00 0.00 H new ATOM 0 HG3 LYS A 64 14.703 -3.317 -9.360 1.00 0.00 H new ATOM 0 HD2 LYS A 64 13.790 -5.371 -10.812 1.00 0.00 H new ATOM 0 HD3 LYS A 64 13.081 -4.108 -11.799 1.00 0.00 H new ATOM 0 HE2 LYS A 64 15.193 -4.292 -12.810 1.00 0.00 H new ATOM 0 HE3 LYS A 64 15.512 -3.016 -11.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 17.199 -4.749 -11.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 16.327 -4.687 -10.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 16.018 -5.923 -11.200 1.00 0.00 H new ATOM 973 N GLU A 65 10.333 -2.480 -10.456 1.00 0.00 N ATOM 974 CA GLU A 65 9.152 -2.614 -11.352 1.00 0.00 C ATOM 975 C GLU A 65 8.819 -4.096 -11.544 1.00 0.00 C ATOM 976 O GLU A 65 9.695 -4.929 -11.659 1.00 0.00 O ATOM 977 CB GLU A 65 9.467 -1.982 -12.710 1.00 0.00 C ATOM 978 CG GLU A 65 10.477 -2.853 -13.458 1.00 0.00 C ATOM 979 CD GLU A 65 11.541 -1.964 -14.103 1.00 0.00 C ATOM 980 OE1 GLU A 65 12.454 -1.561 -13.402 1.00 0.00 O ATOM 981 OE2 GLU A 65 11.423 -1.699 -15.289 1.00 0.00 O ATOM 0 H GLU A 65 11.022 -1.788 -10.749 1.00 0.00 H new ATOM 0 HA GLU A 65 8.298 -2.106 -10.903 1.00 0.00 H new ATOM 0 HB2 GLU A 65 8.554 -1.881 -13.296 1.00 0.00 H new ATOM 0 HB3 GLU A 65 9.869 -0.978 -12.571 1.00 0.00 H new ATOM 0 HG2 GLU A 65 10.945 -3.557 -12.770 1.00 0.00 H new ATOM 0 HG3 GLU A 65 9.969 -3.443 -14.221 1.00 0.00 H new ATOM 988 N GLY A 66 7.558 -4.430 -11.580 1.00 0.00 N ATOM 989 CA GLY A 66 7.170 -5.857 -11.765 1.00 0.00 C ATOM 990 C GLY A 66 6.738 -6.448 -10.422 1.00 0.00 C ATOM 991 O GLY A 66 6.013 -7.421 -10.366 1.00 0.00 O ATOM 0 H GLY A 66 6.780 -3.777 -11.489 1.00 0.00 H new ATOM 0 HA2 GLY A 66 6.356 -5.933 -12.486 1.00 0.00 H new ATOM 0 HA3 GLY A 66 8.009 -6.423 -12.170 1.00 0.00 H new ATOM 995 N ASP A 67 7.176 -5.866 -9.339 1.00 0.00 N ATOM 996 CA ASP A 67 6.789 -6.396 -8.001 1.00 0.00 C ATOM 997 C ASP A 67 5.370 -5.935 -7.661 1.00 0.00 C ATOM 998 O ASP A 67 5.002 -4.801 -7.896 1.00 0.00 O ATOM 999 CB ASP A 67 7.763 -5.871 -6.943 1.00 0.00 C ATOM 1000 CG ASP A 67 9.062 -6.677 -7.002 1.00 0.00 C ATOM 1001 OD1 ASP A 67 9.079 -7.690 -7.681 1.00 0.00 O ATOM 1002 OD2 ASP A 67 10.020 -6.267 -6.366 1.00 0.00 O ATOM 0 H ASP A 67 7.784 -5.047 -9.323 1.00 0.00 H new ATOM 0 HA ASP A 67 6.823 -7.485 -8.018 1.00 0.00 H new ATOM 0 HB2 ASP A 67 7.970 -4.815 -7.116 1.00 0.00 H new ATOM 0 HB3 ASP A 67 7.317 -5.951 -5.951 1.00 0.00 H new ATOM 1007 N ALA A 68 4.570 -6.806 -7.108 1.00 0.00 N ATOM 1008 CA ALA A 68 3.175 -6.417 -6.755 1.00 0.00 C ATOM 1009 C ALA A 68 3.205 -5.201 -5.827 1.00 0.00 C ATOM 1010 O ALA A 68 4.244 -4.803 -5.341 1.00 0.00 O ATOM 1011 CB ALA A 68 2.486 -7.583 -6.044 1.00 0.00 C ATOM 0 H ALA A 68 4.822 -7.769 -6.886 1.00 0.00 H new ATOM 0 HA ALA A 68 2.626 -6.168 -7.663 1.00 0.00 H new ATOM 0 HB1 ALA A 68 1.466 -7.300 -5.785 1.00 0.00 H new ATOM 0 HB2 ALA A 68 2.466 -8.450 -6.704 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.035 -7.831 -5.136 1.00 0.00 H new ATOM 1017 N ILE A 69 2.070 -4.607 -5.578 1.00 0.00 N ATOM 1018 CA ILE A 69 2.031 -3.417 -4.682 1.00 0.00 C ATOM 1019 C ILE A 69 0.806 -3.507 -3.771 1.00 0.00 C ATOM 1020 O ILE A 69 0.920 -3.534 -2.562 1.00 0.00 O ATOM 1021 CB ILE A 69 1.945 -2.145 -5.527 1.00 0.00 C ATOM 1022 CG1 ILE A 69 3.170 -2.057 -6.440 1.00 0.00 C ATOM 1023 CG2 ILE A 69 1.907 -0.922 -4.608 1.00 0.00 C ATOM 1024 CD1 ILE A 69 4.416 -1.776 -5.599 1.00 0.00 C ATOM 0 H ILE A 69 1.168 -4.895 -5.957 1.00 0.00 H new ATOM 0 HA ILE A 69 2.936 -3.389 -4.075 1.00 0.00 H new ATOM 0 HB ILE A 69 1.039 -2.172 -6.133 1.00 0.00 H new ATOM 0 HG12 ILE A 69 3.293 -2.989 -6.991 1.00 0.00 H new ATOM 0 HG13 ILE A 69 3.031 -1.267 -7.178 1.00 0.00 H new ATOM 0 HG21 ILE A 69 1.846 -0.016 -5.211 1.00 0.00 H new ATOM 0 HG22 ILE A 69 1.036 -0.984 -3.956 1.00 0.00 H new ATOM 0 HG23 ILE A 69 2.812 -0.894 -4.002 1.00 0.00 H new ATOM 0 HD11 ILE A 69 5.288 -1.714 -6.250 1.00 0.00 H new ATOM 0 HD12 ILE A 69 4.291 -0.832 -5.068 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.558 -2.582 -4.879 1.00 0.00 H new ATOM 1036 N ILE A 70 -0.366 -3.558 -4.342 1.00 0.00 N ATOM 1037 CA ILE A 70 -1.598 -3.649 -3.510 1.00 0.00 C ATOM 1038 C ILE A 70 -2.618 -4.549 -4.209 1.00 0.00 C ATOM 1039 O ILE A 70 -2.331 -5.159 -5.221 1.00 0.00 O ATOM 1040 CB ILE A 70 -2.192 -2.252 -3.324 1.00 0.00 C ATOM 1041 CG1 ILE A 70 -2.011 -1.445 -4.612 1.00 0.00 C ATOM 1042 CG2 ILE A 70 -1.477 -1.540 -2.174 1.00 0.00 C ATOM 1043 CD1 ILE A 70 -3.019 -0.294 -4.640 1.00 0.00 C ATOM 0 H ILE A 70 -0.523 -3.541 -5.350 1.00 0.00 H new ATOM 0 HA ILE A 70 -1.349 -4.070 -2.536 1.00 0.00 H new ATOM 0 HB ILE A 70 -3.254 -2.338 -3.094 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -0.995 -1.054 -4.669 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -2.154 -2.089 -5.480 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -1.901 -0.545 -2.043 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -1.605 -2.113 -1.256 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -0.415 -1.454 -2.403 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -2.890 0.281 -5.557 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -4.031 -0.696 -4.603 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -2.855 0.355 -3.780 1.00 0.00 H new ATOM 1055 N GLU A 71 -3.807 -4.640 -3.678 1.00 0.00 N ATOM 1056 CA GLU A 71 -4.841 -5.502 -4.316 1.00 0.00 C ATOM 1057 C GLU A 71 -6.195 -4.790 -4.277 1.00 0.00 C ATOM 1058 O GLU A 71 -6.768 -4.581 -3.225 1.00 0.00 O ATOM 1059 CB GLU A 71 -4.940 -6.826 -3.555 1.00 0.00 C ATOM 1060 CG GLU A 71 -3.545 -7.259 -3.100 1.00 0.00 C ATOM 1061 CD GLU A 71 -3.658 -8.510 -2.227 1.00 0.00 C ATOM 1062 OE1 GLU A 71 -4.686 -8.674 -1.591 1.00 0.00 O ATOM 1063 OE2 GLU A 71 -2.714 -9.284 -2.210 1.00 0.00 O ATOM 0 H GLU A 71 -4.106 -4.156 -2.832 1.00 0.00 H new ATOM 0 HA GLU A 71 -4.563 -5.697 -5.352 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -5.597 -6.714 -2.692 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -5.380 -7.592 -4.193 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -2.915 -7.463 -3.966 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -3.067 -6.454 -2.541 1.00 0.00 H new ATOM 1070 N LEU A 72 -6.711 -4.417 -5.415 1.00 0.00 N ATOM 1071 CA LEU A 72 -8.028 -3.719 -5.443 1.00 0.00 C ATOM 1072 C LEU A 72 -9.148 -4.753 -5.566 1.00 0.00 C ATOM 1073 O LEU A 72 -9.210 -5.507 -6.517 1.00 0.00 O ATOM 1074 CB LEU A 72 -8.074 -2.766 -6.642 1.00 0.00 C ATOM 1075 CG LEU A 72 -9.364 -1.941 -6.602 1.00 0.00 C ATOM 1076 CD1 LEU A 72 -10.543 -2.812 -7.037 1.00 0.00 C ATOM 1077 CD2 LEU A 72 -9.606 -1.429 -5.179 1.00 0.00 C ATOM 0 H LEU A 72 -6.278 -4.565 -6.327 1.00 0.00 H new ATOM 0 HA LEU A 72 -8.160 -3.150 -4.523 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.208 -2.104 -6.625 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -8.024 -3.334 -7.571 1.00 0.00 H new ATOM 0 HG LEU A 72 -9.269 -1.093 -7.280 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -11.460 -2.224 -7.008 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -10.375 -3.172 -8.052 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -10.636 -3.662 -6.361 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -10.524 -0.843 -5.155 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -9.698 -2.275 -4.498 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -8.768 -0.804 -4.870 1.00 0.00 H new ATOM 1089 N GLU A 73 -10.035 -4.797 -4.609 1.00 0.00 N ATOM 1090 CA GLU A 73 -11.150 -5.783 -4.669 1.00 0.00 C ATOM 1091 C GLU A 73 -12.473 -5.044 -4.897 1.00 0.00 C ATOM 1092 O GLU A 73 -13.087 -4.574 -3.959 1.00 0.00 O ATOM 1093 CB GLU A 73 -11.220 -6.553 -3.349 1.00 0.00 C ATOM 1094 CG GLU A 73 -12.526 -7.349 -3.289 1.00 0.00 C ATOM 1095 CD GLU A 73 -12.223 -8.804 -2.927 1.00 0.00 C ATOM 1096 OE1 GLU A 73 -12.102 -9.086 -1.746 1.00 0.00 O ATOM 1097 OE2 GLU A 73 -12.117 -9.610 -3.836 1.00 0.00 O ATOM 0 H GLU A 73 -10.035 -4.192 -3.788 1.00 0.00 H new ATOM 0 HA GLU A 73 -10.975 -6.480 -5.489 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -10.367 -7.227 -3.263 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -11.165 -5.861 -2.509 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -13.197 -6.912 -2.549 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -13.037 -7.302 -4.251 1.00 0.00 H new ATOM 1104 N PRO A 74 -12.872 -4.962 -6.141 1.00 0.00 N ATOM 1105 CA PRO A 74 -14.122 -4.285 -6.531 1.00 0.00 C ATOM 1106 C PRO A 74 -15.328 -5.181 -6.235 1.00 0.00 C ATOM 1107 O PRO A 74 -15.185 -6.324 -5.851 1.00 0.00 O ATOM 1108 CB PRO A 74 -13.958 -4.068 -8.038 1.00 0.00 C ATOM 1109 CG PRO A 74 -12.920 -5.109 -8.518 1.00 0.00 C ATOM 1110 CD PRO A 74 -12.118 -5.537 -7.275 1.00 0.00 C ATOM 0 HA PRO A 74 -14.295 -3.355 -5.989 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -14.908 -4.200 -8.555 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -13.618 -3.054 -8.250 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -13.414 -5.967 -8.974 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -12.263 -4.680 -9.274 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -12.050 -6.622 -7.199 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -11.097 -5.156 -7.309 1.00 0.00 H new