USER MOD reduce.3.24.130724 H: found=0, std=0, add=439, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 439 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 6 CYS SG : rot 0:sc= -3.14! USER MOD Single : A 8 THR OG1 : rot -179:sc= 1.07 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 110:sc= -0.219 USER MOD Single : A 17 HIS : no HD1:sc= -0.023 X(o=-0.023,f=0) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.459 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 44 LYS NZ :NH3+ 168:sc=-0.00258 (180deg=-0.15) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD ----------------------------------------------------------------- ATOM 31 N GLY A 3 -0.096 10.764 9.370 1.00 0.00 N ATOM 32 CA GLY A 3 0.997 10.351 8.496 1.00 0.00 C ATOM 33 C GLY A 3 0.662 10.592 7.036 1.00 0.00 C ATOM 34 O GLY A 3 0.367 11.728 6.651 1.00 0.00 O ATOM 0 HA2 GLY A 3 1.901 10.900 8.758 1.00 0.00 H new ATOM 0 HA3 GLY A 3 1.209 9.293 8.652 1.00 0.00 H new ATOM 38 N ALA A 4 0.675 9.522 6.227 1.00 0.00 N ATOM 39 CA ALA A 4 0.383 9.583 4.784 1.00 0.00 C ATOM 40 C ALA A 4 -0.564 8.438 4.408 1.00 0.00 C ATOM 41 O ALA A 4 -0.543 7.377 5.033 1.00 0.00 O ATOM 42 CB ALA A 4 1.693 9.523 3.970 1.00 0.00 C ATOM 0 H ALA A 4 0.890 8.581 6.557 1.00 0.00 H new ATOM 0 HA ALA A 4 -0.107 10.528 4.548 1.00 0.00 H new ATOM 0 HB1 ALA A 4 1.462 9.569 2.906 1.00 0.00 H new ATOM 0 HB2 ALA A 4 2.328 10.366 4.240 1.00 0.00 H new ATOM 0 HB3 ALA A 4 2.215 8.591 4.188 1.00 0.00 H new ATOM 48 N ARG A 5 -1.402 8.667 3.388 1.00 0.00 N ATOM 49 CA ARG A 5 -2.391 7.685 2.898 1.00 0.00 C ATOM 50 C ARG A 5 -2.257 7.490 1.385 1.00 0.00 C ATOM 51 O ARG A 5 -1.765 8.368 0.666 1.00 0.00 O ATOM 52 CB ARG A 5 -3.847 8.129 3.290 1.00 0.00 C ATOM 53 CG ARG A 5 -4.470 7.344 4.470 1.00 0.00 C ATOM 54 CD ARG A 5 -4.861 5.903 4.081 1.00 0.00 C ATOM 55 NE ARG A 5 -5.426 5.140 5.211 1.00 0.00 N ATOM 56 CZ ARG A 5 -6.698 5.204 5.646 1.00 0.00 C ATOM 57 NH1 ARG A 5 -7.579 6.035 5.090 1.00 0.00 N ATOM 58 NH2 ARG A 5 -7.078 4.432 6.647 1.00 0.00 N ATOM 0 H ARG A 5 -1.416 9.547 2.872 1.00 0.00 H new ATOM 0 HA ARG A 5 -2.193 6.725 3.375 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -3.832 9.189 3.545 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -4.492 8.019 2.418 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -3.760 7.314 5.297 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -5.354 7.873 4.828 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -5.589 5.935 3.270 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -3.982 5.383 3.700 1.00 0.00 H new ATOM 0 HE ARG A 5 -4.797 4.508 5.706 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -7.294 6.639 4.319 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -8.538 6.067 5.436 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -6.410 3.796 7.082 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -8.039 4.472 6.985 1.00 0.00 H new ATOM 72 N CYS A 6 -2.694 6.315 0.938 1.00 0.00 N ATOM 73 CA CYS A 6 -2.766 5.920 -0.473 1.00 0.00 C ATOM 74 C CYS A 6 -4.017 5.063 -0.682 1.00 0.00 C ATOM 75 O CYS A 6 -4.703 4.712 0.285 1.00 0.00 O ATOM 76 CB CYS A 6 -1.504 5.123 -0.880 1.00 0.00 C ATOM 77 SG CYS A 6 0.021 6.056 -0.735 1.00 0.00 S ATOM 0 H CYS A 6 -3.020 5.583 1.569 1.00 0.00 H new ATOM 0 HA CYS A 6 -2.819 6.813 -1.096 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -1.433 4.231 -0.258 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -1.616 4.785 -1.910 1.00 0.00 H new ATOM 0 HG CYS A 6 -0.242 7.253 -0.303 1.00 0.00 H new ATOM 83 N ARG A 7 -4.304 4.741 -1.939 1.00 0.00 N ATOM 84 CA ARG A 7 -5.386 3.836 -2.316 1.00 0.00 C ATOM 85 C ARG A 7 -4.915 3.004 -3.505 1.00 0.00 C ATOM 86 O ARG A 7 -4.384 3.555 -4.474 1.00 0.00 O ATOM 87 CB ARG A 7 -6.675 4.623 -2.666 1.00 0.00 C ATOM 88 CG ARG A 7 -7.918 3.720 -2.866 1.00 0.00 C ATOM 89 CD ARG A 7 -9.198 4.514 -3.162 1.00 0.00 C ATOM 90 NE ARG A 7 -10.404 3.651 -3.138 1.00 0.00 N ATOM 91 CZ ARG A 7 -11.381 3.648 -4.056 1.00 0.00 C ATOM 92 NH1 ARG A 7 -11.295 4.406 -5.139 1.00 0.00 N ATOM 93 NH2 ARG A 7 -12.446 2.883 -3.888 1.00 0.00 N ATOM 0 H ARG A 7 -3.784 5.106 -2.737 1.00 0.00 H new ATOM 0 HA ARG A 7 -5.631 3.183 -1.478 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -6.881 5.339 -1.870 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -6.504 5.198 -3.576 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -7.729 3.028 -3.687 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -8.070 3.118 -1.970 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -9.308 5.312 -2.427 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -9.112 4.990 -4.139 1.00 0.00 H new ATOM 0 HE ARG A 7 -10.498 3.004 -2.355 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -10.479 5.001 -5.282 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -12.045 4.395 -5.830 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -12.525 2.294 -3.059 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -13.189 2.882 -4.587 1.00 0.00 H new ATOM 107 N THR A 8 -5.101 1.688 -3.412 1.00 0.00 N ATOM 108 CA THR A 8 -4.649 0.723 -4.418 1.00 0.00 C ATOM 109 C THR A 8 -5.440 0.875 -5.733 1.00 0.00 C ATOM 110 O THR A 8 -6.684 0.875 -5.721 1.00 0.00 O ATOM 111 CB THR A 8 -4.799 -0.717 -3.842 1.00 0.00 C ATOM 112 OG1 THR A 8 -6.137 -0.891 -3.359 1.00 0.00 O ATOM 113 CG2 THR A 8 -3.810 -0.967 -2.691 1.00 0.00 C ATOM 0 H THR A 8 -5.578 1.253 -2.622 1.00 0.00 H new ATOM 0 HA THR A 8 -3.601 0.914 -4.650 1.00 0.00 H new ATOM 0 HB THR A 8 -4.583 -1.429 -4.638 1.00 0.00 H new ATOM 0 HG1 THR A 8 -6.233 -1.789 -2.978 1.00 0.00 H new ATOM 0 HG21 THR A 8 -3.941 -1.981 -2.312 1.00 0.00 H new ATOM 0 HG22 THR A 8 -2.790 -0.845 -3.055 1.00 0.00 H new ATOM 0 HG23 THR A 8 -3.997 -0.253 -1.889 1.00 0.00 H new ATOM 121 N LEU A 9 -4.701 1.052 -6.850 1.00 0.00 N ATOM 122 CA LEU A 9 -5.287 1.186 -8.192 1.00 0.00 C ATOM 123 C LEU A 9 -5.934 -0.144 -8.604 1.00 0.00 C ATOM 124 O LEU A 9 -7.145 -0.225 -8.829 1.00 0.00 O ATOM 125 CB LEU A 9 -4.196 1.593 -9.228 1.00 0.00 C ATOM 126 CG LEU A 9 -3.463 2.949 -8.966 1.00 0.00 C ATOM 127 CD1 LEU A 9 -2.368 3.211 -10.027 1.00 0.00 C ATOM 128 CD2 LEU A 9 -4.468 4.113 -8.884 1.00 0.00 C ATOM 0 H LEU A 9 -3.682 1.105 -6.841 1.00 0.00 H new ATOM 0 HA LEU A 9 -6.047 1.967 -8.169 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.448 0.801 -9.266 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.660 1.640 -10.213 1.00 0.00 H new ATOM 0 HG LEU A 9 -2.964 2.879 -8.000 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -1.877 4.161 -9.817 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.632 2.408 -9.996 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.822 3.249 -11.017 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -3.932 5.044 -8.701 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -5.016 4.188 -9.824 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.169 3.932 -8.069 1.00 0.00 H new ATOM 140 N TYR A 10 -5.099 -1.190 -8.654 1.00 0.00 N ATOM 141 CA TYR A 10 -5.498 -2.547 -9.076 1.00 0.00 C ATOM 142 C TYR A 10 -4.807 -3.584 -8.165 1.00 0.00 C ATOM 143 O TYR A 10 -3.732 -3.295 -7.620 1.00 0.00 O ATOM 144 CB TYR A 10 -5.152 -2.762 -10.583 1.00 0.00 C ATOM 145 CG TYR A 10 -6.091 -2.007 -11.535 1.00 0.00 C ATOM 146 CD1 TYR A 10 -7.415 -2.427 -11.706 1.00 0.00 C ATOM 147 CD2 TYR A 10 -5.675 -0.866 -12.231 1.00 0.00 C ATOM 148 CE1 TYR A 10 -8.280 -1.746 -12.535 1.00 0.00 C ATOM 149 CE2 TYR A 10 -6.545 -0.177 -13.056 1.00 0.00 C ATOM 150 CZ TYR A 10 -7.844 -0.622 -13.204 1.00 0.00 C ATOM 151 OH TYR A 10 -8.724 0.064 -14.016 1.00 0.00 O ATOM 0 H TYR A 10 -4.114 -1.121 -8.400 1.00 0.00 H new ATOM 0 HA TYR A 10 -6.576 -2.673 -8.974 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -4.127 -2.439 -10.763 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -5.195 -3.827 -10.810 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -7.766 -3.302 -11.178 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -4.658 -0.518 -12.122 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -9.296 -2.091 -12.660 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -6.210 0.705 -13.582 1.00 0.00 H new ATOM 0 HH TYR A 10 -8.268 0.833 -14.417 1.00 0.00 H new ATOM 161 N PRO A 11 -5.398 -4.817 -7.985 1.00 0.00 N ATOM 162 CA PRO A 11 -4.891 -5.810 -7.013 1.00 0.00 C ATOM 163 C PRO A 11 -3.728 -6.674 -7.555 1.00 0.00 C ATOM 164 O PRO A 11 -3.537 -7.812 -7.107 1.00 0.00 O ATOM 165 CB PRO A 11 -6.161 -6.644 -6.730 1.00 0.00 C ATOM 166 CG PRO A 11 -6.882 -6.679 -8.046 1.00 0.00 C ATOM 167 CD PRO A 11 -6.604 -5.338 -8.709 1.00 0.00 C ATOM 0 HA PRO A 11 -4.448 -5.352 -6.129 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -5.910 -7.648 -6.387 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -6.773 -6.186 -5.953 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -6.525 -7.502 -8.665 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -7.952 -6.829 -7.901 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -6.410 -5.453 -9.775 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -7.452 -4.661 -8.610 1.00 0.00 H new ATOM 175 N PHE A 12 -2.919 -6.112 -8.473 1.00 0.00 N ATOM 176 CA PHE A 12 -1.780 -6.822 -9.075 1.00 0.00 C ATOM 177 C PHE A 12 -0.537 -6.547 -8.221 1.00 0.00 C ATOM 178 O PHE A 12 0.053 -5.462 -8.282 1.00 0.00 O ATOM 179 CB PHE A 12 -1.568 -6.371 -10.548 1.00 0.00 C ATOM 180 CG PHE A 12 -2.776 -6.635 -11.442 1.00 0.00 C ATOM 181 CD1 PHE A 12 -3.161 -7.940 -11.757 1.00 0.00 C ATOM 182 CD2 PHE A 12 -3.523 -5.586 -11.967 1.00 0.00 C ATOM 183 CE1 PHE A 12 -4.256 -8.181 -12.569 1.00 0.00 C ATOM 184 CE2 PHE A 12 -4.616 -5.827 -12.775 1.00 0.00 C ATOM 185 CZ PHE A 12 -4.983 -7.123 -13.079 1.00 0.00 C ATOM 0 H PHE A 12 -3.037 -5.158 -8.815 1.00 0.00 H new ATOM 0 HA PHE A 12 -1.975 -7.894 -9.096 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -1.339 -5.305 -10.565 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -0.701 -6.890 -10.958 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -2.597 -8.772 -11.362 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -3.244 -4.568 -11.739 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -4.542 -9.196 -12.804 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -5.186 -4.999 -13.171 1.00 0.00 H new ATOM 0 HZ PHE A 12 -5.837 -7.309 -13.714 1.00 0.00 H new ATOM 195 N SER A 13 -0.192 -7.531 -7.381 1.00 0.00 N ATOM 196 CA SER A 13 0.933 -7.461 -6.448 1.00 0.00 C ATOM 197 C SER A 13 1.505 -8.877 -6.280 1.00 0.00 C ATOM 198 O SER A 13 0.740 -9.835 -6.098 1.00 0.00 O ATOM 199 CB SER A 13 0.465 -6.889 -5.086 1.00 0.00 C ATOM 200 OG SER A 13 -0.170 -5.625 -5.213 1.00 0.00 O ATOM 0 H SER A 13 -0.699 -8.415 -7.332 1.00 0.00 H new ATOM 0 HA SER A 13 1.706 -6.797 -6.836 1.00 0.00 H new ATOM 0 HB2 SER A 13 -0.224 -7.592 -4.618 1.00 0.00 H new ATOM 0 HB3 SER A 13 1.324 -6.795 -4.421 1.00 0.00 H new ATOM 0 HG SER A 13 -1.128 -5.720 -5.029 1.00 0.00 H new ATOM 206 N GLY A 14 2.839 -9.000 -6.336 1.00 0.00 N ATOM 207 CA GLY A 14 3.504 -10.302 -6.371 1.00 0.00 C ATOM 208 C GLY A 14 3.502 -10.882 -7.782 1.00 0.00 C ATOM 209 O GLY A 14 3.062 -12.016 -8.003 1.00 0.00 O ATOM 0 H GLY A 14 3.478 -8.206 -6.358 1.00 0.00 H new ATOM 0 HA2 GLY A 14 4.530 -10.199 -6.018 1.00 0.00 H new ATOM 0 HA3 GLY A 14 3.001 -10.989 -5.691 1.00 0.00 H new ATOM 213 N GLU A 15 3.996 -10.065 -8.735 1.00 0.00 N ATOM 214 CA GLU A 15 4.037 -10.395 -10.172 1.00 0.00 C ATOM 215 C GLU A 15 4.873 -11.668 -10.435 1.00 0.00 C ATOM 216 O GLU A 15 6.114 -11.633 -10.342 1.00 0.00 O ATOM 217 CB GLU A 15 4.626 -9.201 -10.979 1.00 0.00 C ATOM 218 CG GLU A 15 4.719 -9.426 -12.510 1.00 0.00 C ATOM 219 CD GLU A 15 5.532 -8.343 -13.233 1.00 0.00 C ATOM 220 OE1 GLU A 15 6.773 -8.489 -13.332 1.00 0.00 O ATOM 221 OE2 GLU A 15 4.943 -7.344 -13.699 1.00 0.00 O ATOM 0 H GLU A 15 4.383 -9.145 -8.524 1.00 0.00 H new ATOM 0 HA GLU A 15 3.015 -10.586 -10.500 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.013 -8.319 -10.793 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.623 -8.982 -10.598 1.00 0.00 H new ATOM 0 HG2 GLU A 15 5.172 -10.399 -12.701 1.00 0.00 H new ATOM 0 HG3 GLU A 15 3.713 -9.455 -12.928 1.00 0.00 H new ATOM 228 N ARG A 16 4.165 -12.792 -10.703 1.00 0.00 N ATOM 229 CA ARG A 16 4.767 -14.106 -11.069 1.00 0.00 C ATOM 230 C ARG A 16 5.667 -14.673 -9.947 1.00 0.00 C ATOM 231 O ARG A 16 6.456 -15.604 -10.176 1.00 0.00 O ATOM 232 CB ARG A 16 5.548 -13.998 -12.417 1.00 0.00 C ATOM 233 CG ARG A 16 4.664 -13.655 -13.637 1.00 0.00 C ATOM 234 CD ARG A 16 5.462 -13.549 -14.949 1.00 0.00 C ATOM 235 NE ARG A 16 6.236 -14.783 -15.219 1.00 0.00 N ATOM 236 CZ ARG A 16 6.191 -15.517 -16.340 1.00 0.00 C ATOM 237 NH1 ARG A 16 5.355 -15.209 -17.327 1.00 0.00 N ATOM 238 NH2 ARG A 16 6.970 -16.580 -16.451 1.00 0.00 N ATOM 0 H ARG A 16 3.146 -12.816 -10.672 1.00 0.00 H new ATOM 0 HA ARG A 16 3.947 -14.812 -11.200 1.00 0.00 H new ATOM 0 HB2 ARG A 16 6.320 -13.235 -12.316 1.00 0.00 H new ATOM 0 HB3 ARG A 16 6.057 -14.943 -12.606 1.00 0.00 H new ATOM 0 HG2 ARG A 16 3.895 -14.419 -13.747 1.00 0.00 H new ATOM 0 HG3 ARG A 16 4.151 -12.711 -13.453 1.00 0.00 H new ATOM 0 HD2 ARG A 16 4.779 -13.359 -15.777 1.00 0.00 H new ATOM 0 HD3 ARG A 16 6.141 -12.698 -14.895 1.00 0.00 H new ATOM 0 HE ARG A 16 6.863 -15.105 -14.482 1.00 0.00 H new ATOM 0 HH11 ARG A 16 4.735 -14.404 -17.238 1.00 0.00 H new ATOM 0 HH12 ARG A 16 5.333 -15.778 -18.173 1.00 0.00 H new ATOM 0 HH21 ARG A 16 7.597 -16.835 -15.688 1.00 0.00 H new ATOM 0 HH22 ARG A 16 6.944 -17.145 -17.300 1.00 0.00 H new ATOM 252 N HIS A 17 5.491 -14.148 -8.730 1.00 0.00 N ATOM 253 CA HIS A 17 6.367 -14.420 -7.590 1.00 0.00 C ATOM 254 C HIS A 17 5.584 -14.173 -6.294 1.00 0.00 C ATOM 255 O HIS A 17 5.131 -13.051 -6.048 1.00 0.00 O ATOM 256 CB HIS A 17 7.625 -13.503 -7.678 1.00 0.00 C ATOM 257 CG HIS A 17 8.556 -13.548 -6.485 1.00 0.00 C ATOM 258 ND1 HIS A 17 9.476 -14.552 -6.333 1.00 0.00 N ATOM 259 CD2 HIS A 17 8.677 -12.684 -5.438 1.00 0.00 C ATOM 260 CE1 HIS A 17 10.137 -14.278 -5.218 1.00 0.00 C ATOM 261 NE2 HIS A 17 9.686 -13.160 -4.642 1.00 0.00 N ATOM 0 H HIS A 17 4.724 -13.513 -8.508 1.00 0.00 H new ATOM 0 HA HIS A 17 6.702 -15.457 -7.600 1.00 0.00 H new ATOM 0 HB2 HIS A 17 8.191 -13.779 -8.568 1.00 0.00 H new ATOM 0 HB3 HIS A 17 7.293 -12.474 -7.818 1.00 0.00 H new ATOM 0 HD2 HIS A 17 8.090 -11.794 -5.268 1.00 0.00 H new ATOM 0 HE1 HIS A 17 10.940 -14.883 -4.824 1.00 0.00 H new ATOM 0 HE2 HIS A 17 10.027 -12.741 -3.777 1.00 0.00 H new ATOM 269 N GLY A 18 5.413 -15.229 -5.483 1.00 0.00 N ATOM 270 CA GLY A 18 4.764 -15.116 -4.177 1.00 0.00 C ATOM 271 C GLY A 18 5.685 -14.507 -3.114 1.00 0.00 C ATOM 272 O GLY A 18 6.679 -13.860 -3.444 1.00 0.00 O ATOM 0 H GLY A 18 5.719 -16.174 -5.715 1.00 0.00 H new ATOM 0 HA2 GLY A 18 3.868 -14.502 -4.272 1.00 0.00 H new ATOM 0 HA3 GLY A 18 4.440 -16.104 -3.849 1.00 0.00 H new ATOM 276 N GLN A 19 5.315 -14.687 -1.825 1.00 0.00 N ATOM 277 CA GLN A 19 6.112 -14.260 -0.638 1.00 0.00 C ATOM 278 C GLN A 19 6.135 -12.721 -0.435 1.00 0.00 C ATOM 279 O GLN A 19 6.720 -12.231 0.549 1.00 0.00 O ATOM 280 CB GLN A 19 7.563 -14.835 -0.692 1.00 0.00 C ATOM 281 CG GLN A 19 7.636 -16.372 -0.813 1.00 0.00 C ATOM 282 CD GLN A 19 9.052 -16.871 -1.073 1.00 0.00 C ATOM 283 OE1 GLN A 19 9.802 -17.152 -0.144 1.00 0.00 O ATOM 284 NE2 GLN A 19 9.437 -16.934 -2.340 1.00 0.00 N ATOM 0 H GLN A 19 4.438 -15.141 -1.570 1.00 0.00 H new ATOM 0 HA GLN A 19 5.603 -14.678 0.230 1.00 0.00 H new ATOM 0 HB2 GLN A 19 8.085 -14.391 -1.539 1.00 0.00 H new ATOM 0 HB3 GLN A 19 8.096 -14.528 0.208 1.00 0.00 H new ATOM 0 HG2 GLN A 19 7.258 -16.824 0.104 1.00 0.00 H new ATOM 0 HG3 GLN A 19 6.984 -16.701 -1.622 1.00 0.00 H new ATOM 0 HE21 GLN A 19 8.783 -16.692 -3.084 1.00 0.00 H new ATOM 0 HE22 GLN A 19 10.387 -17.224 -2.570 1.00 0.00 H new ATOM 293 N GLY A 20 5.506 -11.967 -1.358 1.00 0.00 N ATOM 294 CA GLY A 20 5.383 -10.508 -1.243 1.00 0.00 C ATOM 295 C GLY A 20 4.053 -10.115 -0.615 1.00 0.00 C ATOM 296 O GLY A 20 3.231 -10.992 -0.297 1.00 0.00 O ATOM 0 H GLY A 20 5.073 -12.353 -2.197 1.00 0.00 H new ATOM 0 HA2 GLY A 20 6.202 -10.118 -0.639 1.00 0.00 H new ATOM 0 HA3 GLY A 20 5.470 -10.054 -2.230 1.00 0.00 H new ATOM 300 N LEU A 21 3.828 -8.803 -0.427 1.00 0.00 N ATOM 301 CA LEU A 21 2.564 -8.311 0.123 1.00 0.00 C ATOM 302 C LEU A 21 1.593 -8.037 -1.036 1.00 0.00 C ATOM 303 O LEU A 21 1.838 -7.150 -1.864 1.00 0.00 O ATOM 304 CB LEU A 21 2.760 -7.030 0.987 1.00 0.00 C ATOM 305 CG LEU A 21 1.467 -6.527 1.714 1.00 0.00 C ATOM 306 CD1 LEU A 21 0.922 -7.602 2.685 1.00 0.00 C ATOM 307 CD2 LEU A 21 1.707 -5.179 2.439 1.00 0.00 C ATOM 0 H LEU A 21 4.504 -8.072 -0.648 1.00 0.00 H new ATOM 0 HA LEU A 21 2.153 -9.074 0.784 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.528 -7.227 1.735 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.135 -6.231 0.348 1.00 0.00 H new ATOM 0 HG LEU A 21 0.708 -6.351 0.952 1.00 0.00 H new ATOM 0 HD11 LEU A 21 0.024 -7.227 3.176 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.679 -8.507 2.127 1.00 0.00 H new ATOM 0 HD13 LEU A 21 1.678 -7.831 3.436 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.788 -4.862 2.932 1.00 0.00 H new ATOM 0 HD22 LEU A 21 2.494 -5.301 3.183 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.008 -4.424 1.713 1.00 0.00 H new ATOM 319 N ARG A 22 0.520 -8.841 -1.097 1.00 0.00 N ATOM 320 CA ARG A 22 -0.574 -8.656 -2.058 1.00 0.00 C ATOM 321 C ARG A 22 -1.548 -7.598 -1.523 1.00 0.00 C ATOM 322 O ARG A 22 -1.836 -7.561 -0.325 1.00 0.00 O ATOM 323 CB ARG A 22 -1.302 -9.999 -2.333 1.00 0.00 C ATOM 324 CG ARG A 22 -0.415 -11.073 -3.012 1.00 0.00 C ATOM 325 CD ARG A 22 -1.170 -12.397 -3.254 1.00 0.00 C ATOM 326 NE ARG A 22 -0.297 -13.431 -3.861 1.00 0.00 N ATOM 327 CZ ARG A 22 -0.123 -14.681 -3.390 1.00 0.00 C ATOM 328 NH1 ARG A 22 -0.657 -15.056 -2.236 1.00 0.00 N ATOM 329 NH2 ARG A 22 0.624 -15.540 -4.063 1.00 0.00 N ATOM 0 H ARG A 22 0.388 -9.641 -0.478 1.00 0.00 H new ATOM 0 HA ARG A 22 -0.163 -8.310 -3.006 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -1.677 -10.396 -1.390 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -2.169 -9.807 -2.965 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -0.049 -10.688 -3.964 1.00 0.00 H new ATOM 0 HG3 ARG A 22 0.458 -11.265 -2.389 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -1.566 -12.767 -2.308 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -2.023 -12.214 -3.907 1.00 0.00 H new ATOM 0 HE ARG A 22 0.214 -13.174 -4.705 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -1.209 -14.394 -1.691 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -0.516 -16.006 -1.894 1.00 0.00 H new ATOM 0 HH21 ARG A 22 1.067 -15.255 -4.937 1.00 0.00 H new ATOM 0 HH22 ARG A 22 0.757 -16.487 -3.708 1.00 0.00 H new ATOM 343 N PHE A 23 -2.027 -6.724 -2.413 1.00 0.00 N ATOM 344 CA PHE A 23 -2.964 -5.642 -2.063 1.00 0.00 C ATOM 345 C PHE A 23 -4.319 -5.903 -2.723 1.00 0.00 C ATOM 346 O PHE A 23 -4.366 -6.276 -3.892 1.00 0.00 O ATOM 347 CB PHE A 23 -2.414 -4.274 -2.530 1.00 0.00 C ATOM 348 CG PHE A 23 -1.150 -3.815 -1.803 1.00 0.00 C ATOM 349 CD1 PHE A 23 -1.228 -3.184 -0.560 1.00 0.00 C ATOM 350 CD2 PHE A 23 0.110 -4.005 -2.362 1.00 0.00 C ATOM 351 CE1 PHE A 23 -0.085 -2.758 0.097 1.00 0.00 C ATOM 352 CE2 PHE A 23 1.247 -3.580 -1.708 1.00 0.00 C ATOM 353 CZ PHE A 23 1.153 -2.956 -0.480 1.00 0.00 C ATOM 0 H PHE A 23 -1.777 -6.744 -3.402 1.00 0.00 H new ATOM 0 HA PHE A 23 -3.082 -5.619 -0.980 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -2.204 -4.327 -3.598 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -3.189 -3.520 -2.395 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -2.194 -3.026 -0.104 1.00 0.00 H new ATOM 0 HD2 PHE A 23 0.199 -4.492 -3.322 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -0.163 -2.272 1.058 1.00 0.00 H new ATOM 0 HE2 PHE A 23 2.216 -3.736 -2.159 1.00 0.00 H new ATOM 0 HZ PHE A 23 2.046 -2.624 0.028 1.00 0.00 H new ATOM 363 N ALA A 24 -5.408 -5.723 -1.962 1.00 0.00 N ATOM 364 CA ALA A 24 -6.779 -5.766 -2.496 1.00 0.00 C ATOM 365 C ALA A 24 -7.136 -4.382 -3.072 1.00 0.00 C ATOM 366 O ALA A 24 -6.797 -3.365 -2.466 1.00 0.00 O ATOM 367 CB ALA A 24 -7.762 -6.186 -1.390 1.00 0.00 C ATOM 0 H ALA A 24 -5.364 -5.543 -0.959 1.00 0.00 H new ATOM 0 HA ALA A 24 -6.847 -6.504 -3.295 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -8.774 -6.215 -1.794 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -7.491 -7.174 -1.019 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -7.719 -5.467 -0.572 1.00 0.00 H new ATOM 373 N ALA A 25 -7.807 -4.355 -4.240 1.00 0.00 N ATOM 374 CA ALA A 25 -8.153 -3.105 -4.957 1.00 0.00 C ATOM 375 C ALA A 25 -9.129 -2.232 -4.141 1.00 0.00 C ATOM 376 O ALA A 25 -10.086 -2.749 -3.555 1.00 0.00 O ATOM 377 CB ALA A 25 -8.757 -3.436 -6.328 1.00 0.00 C ATOM 0 H ALA A 25 -8.126 -5.199 -4.716 1.00 0.00 H new ATOM 0 HA ALA A 25 -7.235 -2.534 -5.095 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -9.008 -2.511 -6.848 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -8.034 -3.999 -6.918 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -9.659 -4.033 -6.194 1.00 0.00 H new ATOM 383 N GLY A 26 -8.852 -0.917 -4.091 1.00 0.00 N ATOM 384 CA GLY A 26 -9.713 0.053 -3.408 1.00 0.00 C ATOM 385 C GLY A 26 -9.342 0.293 -1.951 1.00 0.00 C ATOM 386 O GLY A 26 -9.820 1.269 -1.350 1.00 0.00 O ATOM 0 H GLY A 26 -8.026 -0.502 -4.523 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -9.671 1.001 -3.944 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -10.745 -0.295 -3.457 1.00 0.00 H new ATOM 390 N GLU A 27 -8.479 -0.579 -1.388 1.00 0.00 N ATOM 391 CA GLU A 27 -8.022 -0.473 0.007 1.00 0.00 C ATOM 392 C GLU A 27 -7.189 0.801 0.244 1.00 0.00 C ATOM 393 O GLU A 27 -6.257 1.105 -0.518 1.00 0.00 O ATOM 394 CB GLU A 27 -7.212 -1.733 0.437 1.00 0.00 C ATOM 395 CG GLU A 27 -8.050 -3.019 0.565 1.00 0.00 C ATOM 396 CD GLU A 27 -9.209 -2.874 1.567 1.00 0.00 C ATOM 397 OE1 GLU A 27 -8.956 -2.879 2.789 1.00 0.00 O ATOM 398 OE2 GLU A 27 -10.374 -2.725 1.142 1.00 0.00 O ATOM 0 H GLU A 27 -8.082 -1.374 -1.890 1.00 0.00 H new ATOM 0 HA GLU A 27 -8.917 -0.409 0.625 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -6.417 -1.903 -0.289 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -6.731 -1.531 1.394 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -8.451 -3.285 -0.413 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -7.404 -3.839 0.879 1.00 0.00 H new ATOM 405 N LEU A 28 -7.569 1.541 1.303 1.00 0.00 N ATOM 406 CA LEU A 28 -6.867 2.747 1.752 1.00 0.00 C ATOM 407 C LEU A 28 -5.644 2.306 2.580 1.00 0.00 C ATOM 408 O LEU A 28 -5.780 1.939 3.756 1.00 0.00 O ATOM 409 CB LEU A 28 -7.825 3.630 2.608 1.00 0.00 C ATOM 410 CG LEU A 28 -9.259 3.880 2.035 1.00 0.00 C ATOM 411 CD1 LEU A 28 -10.093 4.761 2.994 1.00 0.00 C ATOM 412 CD2 LEU A 28 -9.219 4.477 0.611 1.00 0.00 C ATOM 0 H LEU A 28 -8.382 1.311 1.874 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.539 3.340 0.899 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.928 3.166 3.589 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -7.348 4.598 2.762 1.00 0.00 H new ATOM 0 HG LEU A 28 -9.750 2.910 1.956 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -11.085 4.920 2.572 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -10.184 4.263 3.959 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -9.598 5.723 3.128 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -10.237 4.634 0.253 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -8.690 5.430 0.631 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -8.702 3.789 -0.058 1.00 0.00 H new ATOM 424 N ILE A 29 -4.464 2.326 1.948 1.00 0.00 N ATOM 425 CA ILE A 29 -3.210 1.855 2.556 1.00 0.00 C ATOM 426 C ILE A 29 -2.453 3.047 3.158 1.00 0.00 C ATOM 427 O ILE A 29 -2.048 3.963 2.430 1.00 0.00 O ATOM 428 CB ILE A 29 -2.302 1.105 1.499 1.00 0.00 C ATOM 429 CG1 ILE A 29 -3.091 -0.064 0.812 1.00 0.00 C ATOM 430 CG2 ILE A 29 -0.987 0.583 2.151 1.00 0.00 C ATOM 431 CD1 ILE A 29 -3.605 -1.143 1.756 1.00 0.00 C ATOM 0 H ILE A 29 -4.350 2.671 0.995 1.00 0.00 H new ATOM 0 HA ILE A 29 -3.455 1.143 3.344 1.00 0.00 H new ATOM 0 HB ILE A 29 -2.026 1.825 0.729 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -3.939 0.359 0.273 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -2.443 -0.531 0.070 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -0.386 0.073 1.399 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -0.424 1.423 2.557 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -1.230 -0.113 2.954 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -4.136 -1.904 1.184 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -2.764 -1.601 2.277 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -4.283 -0.697 2.483 1.00 0.00 H new ATOM 443 N THR A 30 -2.303 3.041 4.491 1.00 0.00 N ATOM 444 CA THR A 30 -1.519 4.047 5.208 1.00 0.00 C ATOM 445 C THR A 30 -0.020 3.783 4.999 1.00 0.00 C ATOM 446 O THR A 30 0.461 2.667 5.245 1.00 0.00 O ATOM 447 CB THR A 30 -1.832 4.048 6.743 1.00 0.00 C ATOM 448 OG1 THR A 30 -3.242 4.221 6.951 1.00 0.00 O ATOM 449 CG2 THR A 30 -1.062 5.162 7.494 1.00 0.00 C ATOM 0 H THR A 30 -2.723 2.337 5.098 1.00 0.00 H new ATOM 0 HA THR A 30 -1.792 5.023 4.806 1.00 0.00 H new ATOM 0 HB THR A 30 -1.506 3.088 7.143 1.00 0.00 H new ATOM 0 HG1 THR A 30 -3.434 4.219 7.912 1.00 0.00 H new ATOM 0 HG21 THR A 30 -1.310 5.124 8.555 1.00 0.00 H new ATOM 0 HG22 THR A 30 0.010 5.013 7.367 1.00 0.00 H new ATOM 0 HG23 THR A 30 -1.343 6.135 7.090 1.00 0.00 H new ATOM 457 N LEU A 31 0.690 4.813 4.517 1.00 0.00 N ATOM 458 CA LEU A 31 2.148 4.804 4.441 1.00 0.00 C ATOM 459 C LEU A 31 2.719 5.056 5.841 1.00 0.00 C ATOM 460 O LEU A 31 2.345 6.041 6.493 1.00 0.00 O ATOM 461 CB LEU A 31 2.662 5.867 3.434 1.00 0.00 C ATOM 462 CG LEU A 31 2.125 5.741 1.971 1.00 0.00 C ATOM 463 CD1 LEU A 31 2.694 6.868 1.073 1.00 0.00 C ATOM 464 CD2 LEU A 31 2.412 4.331 1.378 1.00 0.00 C ATOM 0 H LEU A 31 0.265 5.673 4.170 1.00 0.00 H new ATOM 0 HA LEU A 31 2.483 3.831 4.081 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.399 6.855 3.813 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.750 5.816 3.406 1.00 0.00 H new ATOM 0 HG LEU A 31 1.042 5.860 2.001 1.00 0.00 H new ATOM 0 HD11 LEU A 31 2.305 6.758 0.061 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.396 7.837 1.473 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.782 6.803 1.053 1.00 0.00 H new ATOM 0 HD21 LEU A 31 2.025 4.279 0.360 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.487 4.153 1.367 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.925 3.573 1.991 1.00 0.00 H new ATOM 476 N LEU A 32 3.604 4.153 6.301 1.00 0.00 N ATOM 477 CA LEU A 32 4.203 4.227 7.651 1.00 0.00 C ATOM 478 C LEU A 32 5.256 5.333 7.705 1.00 0.00 C ATOM 479 O LEU A 32 5.225 6.212 8.571 1.00 0.00 O ATOM 480 CB LEU A 32 4.877 2.876 8.012 1.00 0.00 C ATOM 481 CG LEU A 32 3.920 1.662 8.166 1.00 0.00 C ATOM 482 CD1 LEU A 32 4.722 0.363 8.410 1.00 0.00 C ATOM 483 CD2 LEU A 32 2.874 1.919 9.284 1.00 0.00 C ATOM 0 H LEU A 32 3.924 3.355 5.753 1.00 0.00 H new ATOM 0 HA LEU A 32 3.408 4.444 8.365 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.611 2.640 7.241 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.425 3.003 8.946 1.00 0.00 H new ATOM 0 HG LEU A 32 3.369 1.534 7.234 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.033 -0.475 8.515 1.00 0.00 H new ATOM 0 HD12 LEU A 32 5.388 0.182 7.566 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.311 0.465 9.321 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.216 1.055 9.372 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.387 2.083 10.232 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.284 2.801 9.034 1.00 0.00 H new ATOM 495 N GLN A 33 6.166 5.278 6.740 1.00 0.00 N ATOM 496 CA GLN A 33 7.336 6.151 6.689 1.00 0.00 C ATOM 497 C GLN A 33 7.764 6.303 5.228 1.00 0.00 C ATOM 498 O GLN A 33 7.345 5.513 4.366 1.00 0.00 O ATOM 499 CB GLN A 33 8.473 5.542 7.557 1.00 0.00 C ATOM 500 CG GLN A 33 9.685 6.470 7.809 1.00 0.00 C ATOM 501 CD GLN A 33 10.799 5.813 8.627 1.00 0.00 C ATOM 502 OE1 GLN A 33 10.548 4.926 9.440 1.00 0.00 O ATOM 503 NE2 GLN A 33 12.027 6.261 8.446 1.00 0.00 N ATOM 0 H GLN A 33 6.113 4.620 5.962 1.00 0.00 H new ATOM 0 HA GLN A 33 7.103 7.137 7.090 1.00 0.00 H new ATOM 0 HB2 GLN A 33 8.055 5.249 8.520 1.00 0.00 H new ATOM 0 HB3 GLN A 33 8.828 4.632 7.074 1.00 0.00 H new ATOM 0 HG2 GLN A 33 10.091 6.792 6.850 1.00 0.00 H new ATOM 0 HG3 GLN A 33 9.344 7.366 8.328 1.00 0.00 H new ATOM 0 HE21 GLN A 33 12.206 6.998 7.764 1.00 0.00 H new ATOM 0 HE22 GLN A 33 12.798 5.870 8.988 1.00 0.00 H new ATOM 512 N VAL A 34 8.573 7.338 4.963 1.00 0.00 N ATOM 513 CA VAL A 34 9.170 7.598 3.648 1.00 0.00 C ATOM 514 C VAL A 34 10.654 7.112 3.642 1.00 0.00 C ATOM 515 O VAL A 34 11.568 7.860 3.981 1.00 0.00 O ATOM 516 CB VAL A 34 9.005 9.132 3.257 1.00 0.00 C ATOM 517 CG1 VAL A 34 7.504 9.471 3.017 1.00 0.00 C ATOM 518 CG2 VAL A 34 9.599 10.094 4.330 1.00 0.00 C ATOM 0 H VAL A 34 8.834 8.028 5.668 1.00 0.00 H new ATOM 0 HA VAL A 34 8.646 7.032 2.878 1.00 0.00 H new ATOM 0 HB VAL A 34 9.570 9.284 2.337 1.00 0.00 H new ATOM 0 HG11 VAL A 34 7.407 10.523 2.750 1.00 0.00 H new ATOM 0 HG12 VAL A 34 7.117 8.854 2.206 1.00 0.00 H new ATOM 0 HG13 VAL A 34 6.936 9.273 3.926 1.00 0.00 H new ATOM 0 HG21 VAL A 34 9.458 11.127 4.011 1.00 0.00 H new ATOM 0 HG22 VAL A 34 9.091 9.936 5.281 1.00 0.00 H new ATOM 0 HG23 VAL A 34 10.664 9.893 4.449 1.00 0.00 H new ATOM 528 N PRO A 35 10.921 5.806 3.277 1.00 0.00 N ATOM 529 CA PRO A 35 12.267 5.180 3.405 1.00 0.00 C ATOM 530 C PRO A 35 13.236 5.562 2.263 1.00 0.00 C ATOM 531 O PRO A 35 14.415 5.183 2.286 1.00 0.00 O ATOM 532 CB PRO A 35 11.926 3.676 3.361 1.00 0.00 C ATOM 533 CG PRO A 35 10.777 3.602 2.406 1.00 0.00 C ATOM 534 CD PRO A 35 9.945 4.839 2.693 1.00 0.00 C ATOM 0 HA PRO A 35 12.791 5.504 4.304 1.00 0.00 H new ATOM 0 HB2 PRO A 35 12.773 3.083 3.016 1.00 0.00 H new ATOM 0 HB3 PRO A 35 11.653 3.298 4.346 1.00 0.00 H new ATOM 0 HG2 PRO A 35 11.123 3.591 1.373 1.00 0.00 H new ATOM 0 HG3 PRO A 35 10.196 2.692 2.558 1.00 0.00 H new ATOM 0 HD2 PRO A 35 9.489 5.232 1.785 1.00 0.00 H new ATOM 0 HD3 PRO A 35 9.134 4.622 3.388 1.00 0.00 H new ATOM 542 N ASP A 36 12.717 6.319 1.282 1.00 0.00 N ATOM 543 CA ASP A 36 13.459 6.722 0.083 1.00 0.00 C ATOM 544 C ASP A 36 12.746 7.903 -0.593 1.00 0.00 C ATOM 545 O ASP A 36 13.224 9.039 -0.562 1.00 0.00 O ATOM 546 CB ASP A 36 13.596 5.518 -0.898 1.00 0.00 C ATOM 547 CG ASP A 36 14.245 5.890 -2.243 1.00 0.00 C ATOM 548 OD1 ASP A 36 15.481 6.065 -2.284 1.00 0.00 O ATOM 549 OD2 ASP A 36 13.525 6.024 -3.251 1.00 0.00 O ATOM 0 H ASP A 36 11.760 6.670 1.303 1.00 0.00 H new ATOM 0 HA ASP A 36 14.462 7.038 0.369 1.00 0.00 H new ATOM 0 HB2 ASP A 36 14.189 4.737 -0.421 1.00 0.00 H new ATOM 0 HB3 ASP A 36 12.608 5.098 -1.085 1.00 0.00 H new ATOM 554 N GLY A 37 11.573 7.610 -1.173 1.00 0.00 N ATOM 555 CA GLY A 37 10.811 8.578 -1.960 1.00 0.00 C ATOM 556 C GLY A 37 10.063 7.882 -3.079 1.00 0.00 C ATOM 557 O GLY A 37 8.856 8.049 -3.229 1.00 0.00 O ATOM 0 H GLY A 37 11.130 6.694 -1.107 1.00 0.00 H new ATOM 0 HA2 GLY A 37 10.106 9.105 -1.316 1.00 0.00 H new ATOM 0 HA3 GLY A 37 11.484 9.328 -2.376 1.00 0.00 H new ATOM 561 N GLY A 38 10.801 7.093 -3.878 1.00 0.00 N ATOM 562 CA GLY A 38 10.197 6.255 -4.919 1.00 0.00 C ATOM 563 C GLY A 38 9.457 5.073 -4.314 1.00 0.00 C ATOM 564 O GLY A 38 8.320 4.767 -4.690 1.00 0.00 O ATOM 0 H GLY A 38 11.817 7.020 -3.820 1.00 0.00 H new ATOM 0 HA2 GLY A 38 9.507 6.852 -5.515 1.00 0.00 H new ATOM 0 HA3 GLY A 38 10.973 5.894 -5.595 1.00 0.00 H new ATOM 568 N TRP A 39 10.133 4.415 -3.362 1.00 0.00 N ATOM 569 CA TRP A 39 9.563 3.324 -2.557 1.00 0.00 C ATOM 570 C TRP A 39 8.999 3.901 -1.252 1.00 0.00 C ATOM 571 O TRP A 39 9.656 4.735 -0.613 1.00 0.00 O ATOM 572 CB TRP A 39 10.644 2.266 -2.225 1.00 0.00 C ATOM 573 CG TRP A 39 11.304 1.641 -3.441 1.00 0.00 C ATOM 574 CD1 TRP A 39 12.337 2.156 -4.178 1.00 0.00 C ATOM 575 CD2 TRP A 39 10.988 0.370 -4.036 1.00 0.00 C ATOM 576 NE1 TRP A 39 12.665 1.293 -5.192 1.00 0.00 N ATOM 577 CE2 TRP A 39 11.859 0.188 -5.121 1.00 0.00 C ATOM 578 CE3 TRP A 39 10.051 -0.632 -3.751 1.00 0.00 C ATOM 579 CZ2 TRP A 39 11.825 -0.952 -5.925 1.00 0.00 C ATOM 580 CZ3 TRP A 39 10.018 -1.764 -4.547 1.00 0.00 C ATOM 581 CH2 TRP A 39 10.904 -1.916 -5.622 1.00 0.00 C ATOM 0 H TRP A 39 11.102 4.627 -3.126 1.00 0.00 H new ATOM 0 HA TRP A 39 8.769 2.844 -3.129 1.00 0.00 H new ATOM 0 HB2 TRP A 39 11.413 2.731 -1.608 1.00 0.00 H new ATOM 0 HB3 TRP A 39 10.190 1.476 -1.627 1.00 0.00 H new ATOM 0 HD1 TRP A 39 12.822 3.102 -3.989 1.00 0.00 H new ATOM 0 HE1 TRP A 39 13.394 1.449 -5.889 1.00 0.00 H new ATOM 0 HE3 TRP A 39 9.366 -0.523 -2.924 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 12.503 -1.069 -6.758 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 9.299 -2.542 -4.336 1.00 0.00 H new ATOM 0 HH2 TRP A 39 10.858 -2.812 -6.223 1.00 0.00 H new ATOM 592 N TRP A 40 7.786 3.453 -0.874 1.00 0.00 N ATOM 593 CA TRP A 40 7.127 3.819 0.399 1.00 0.00 C ATOM 594 C TRP A 40 6.563 2.562 1.093 1.00 0.00 C ATOM 595 O TRP A 40 6.175 1.599 0.427 1.00 0.00 O ATOM 596 CB TRP A 40 6.007 4.884 0.166 1.00 0.00 C ATOM 597 CG TRP A 40 6.517 6.284 -0.140 1.00 0.00 C ATOM 598 CD1 TRP A 40 7.584 6.910 0.437 1.00 0.00 C ATOM 599 CD2 TRP A 40 5.959 7.236 -1.055 1.00 0.00 C ATOM 600 NE1 TRP A 40 7.724 8.175 -0.065 1.00 0.00 N ATOM 601 CE2 TRP A 40 6.743 8.401 -0.976 1.00 0.00 C ATOM 602 CE3 TRP A 40 4.881 7.218 -1.934 1.00 0.00 C ATOM 603 CZ2 TRP A 40 6.481 9.536 -1.738 1.00 0.00 C ATOM 604 CZ3 TRP A 40 4.622 8.345 -2.686 1.00 0.00 C ATOM 605 CH2 TRP A 40 5.420 9.488 -2.590 1.00 0.00 C ATOM 0 H TRP A 40 7.229 2.820 -1.448 1.00 0.00 H new ATOM 0 HA TRP A 40 7.874 4.266 1.055 1.00 0.00 H new ATOM 0 HB2 TRP A 40 5.376 4.553 -0.659 1.00 0.00 H new ATOM 0 HB3 TRP A 40 5.375 4.928 1.053 1.00 0.00 H new ATOM 0 HD1 TRP A 40 8.227 6.469 1.184 1.00 0.00 H new ATOM 0 HE1 TRP A 40 8.449 8.841 0.202 1.00 0.00 H new ATOM 0 HE3 TRP A 40 4.260 6.340 -2.026 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 7.095 10.420 -1.657 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 3.782 8.344 -3.365 1.00 0.00 H new ATOM 0 HH2 TRP A 40 5.191 10.348 -3.202 1.00 0.00 H new ATOM 616 N GLU A 41 6.507 2.602 2.443 1.00 0.00 N ATOM 617 CA GLU A 41 6.128 1.445 3.289 1.00 0.00 C ATOM 618 C GLU A 41 4.624 1.444 3.560 1.00 0.00 C ATOM 619 O GLU A 41 4.034 2.501 3.702 1.00 0.00 O ATOM 620 CB GLU A 41 6.887 1.507 4.639 1.00 0.00 C ATOM 621 CG GLU A 41 8.411 1.460 4.495 1.00 0.00 C ATOM 622 CD GLU A 41 9.133 1.590 5.840 1.00 0.00 C ATOM 623 OE1 GLU A 41 9.169 0.594 6.598 1.00 0.00 O ATOM 624 OE2 GLU A 41 9.669 2.677 6.146 1.00 0.00 O ATOM 0 H GLU A 41 6.724 3.441 2.980 1.00 0.00 H new ATOM 0 HA GLU A 41 6.394 0.532 2.757 1.00 0.00 H new ATOM 0 HB2 GLU A 41 6.609 2.423 5.160 1.00 0.00 H new ATOM 0 HB3 GLU A 41 6.565 0.675 5.265 1.00 0.00 H new ATOM 0 HG2 GLU A 41 8.699 0.522 4.021 1.00 0.00 H new ATOM 0 HG3 GLU A 41 8.735 2.264 3.834 1.00 0.00 H new ATOM 631 N GLY A 42 4.041 0.238 3.651 1.00 0.00 N ATOM 632 CA GLY A 42 2.625 0.028 3.968 1.00 0.00 C ATOM 633 C GLY A 42 2.426 -1.269 4.754 1.00 0.00 C ATOM 634 O GLY A 42 3.362 -2.066 4.878 1.00 0.00 O ATOM 0 H GLY A 42 4.552 -0.632 3.503 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.250 0.871 4.549 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.044 -0.008 3.047 1.00 0.00 H new ATOM 638 N GLU A 43 1.204 -1.487 5.285 1.00 0.00 N ATOM 639 CA GLU A 43 0.871 -2.670 6.118 1.00 0.00 C ATOM 640 C GLU A 43 -0.348 -3.434 5.588 1.00 0.00 C ATOM 641 O GLU A 43 -1.090 -2.948 4.729 1.00 0.00 O ATOM 642 CB GLU A 43 0.570 -2.254 7.582 1.00 0.00 C ATOM 643 CG GLU A 43 1.755 -1.666 8.345 1.00 0.00 C ATOM 644 CD GLU A 43 1.477 -1.502 9.850 1.00 0.00 C ATOM 645 OE1 GLU A 43 0.643 -0.643 10.211 1.00 0.00 O ATOM 646 OE2 GLU A 43 2.066 -2.241 10.670 1.00 0.00 O ATOM 0 H GLU A 43 0.419 -0.850 5.150 1.00 0.00 H new ATOM 0 HA GLU A 43 1.746 -3.318 6.076 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -0.238 -1.522 7.577 1.00 0.00 H new ATOM 0 HB3 GLU A 43 0.206 -3.127 8.124 1.00 0.00 H new ATOM 0 HG2 GLU A 43 2.624 -2.310 8.209 1.00 0.00 H new ATOM 0 HG3 GLU A 43 2.009 -0.695 7.920 1.00 0.00 H new ATOM 653 N LYS A 44 -0.507 -4.638 6.147 1.00 0.00 N ATOM 654 CA LYS A 44 -1.732 -5.435 6.090 1.00 0.00 C ATOM 655 C LYS A 44 -2.085 -5.783 7.554 1.00 0.00 C ATOM 656 O LYS A 44 -1.190 -5.988 8.380 1.00 0.00 O ATOM 657 CB LYS A 44 -1.506 -6.719 5.220 1.00 0.00 C ATOM 658 CG LYS A 44 -2.743 -7.276 4.460 1.00 0.00 C ATOM 659 CD LYS A 44 -3.886 -7.769 5.378 1.00 0.00 C ATOM 660 CE LYS A 44 -5.021 -8.465 4.620 1.00 0.00 C ATOM 661 NZ LYS A 44 -4.567 -9.708 3.955 1.00 0.00 N ATOM 0 H LYS A 44 0.239 -5.098 6.668 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.552 -4.891 5.621 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -0.727 -6.502 4.489 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -1.123 -7.506 5.869 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.131 -6.498 3.802 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -2.423 -8.101 3.824 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -3.477 -8.458 6.116 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -4.293 -6.919 5.926 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -5.829 -8.700 5.313 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -5.429 -7.783 3.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -5.393 -10.249 3.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -3.968 -9.467 3.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -4.021 -10.282 4.628 1.00 0.00 H new ATOM 675 N GLU A 45 -3.386 -5.871 7.854 1.00 0.00 N ATOM 676 CA GLU A 45 -3.908 -6.181 9.208 1.00 0.00 C ATOM 677 C GLU A 45 -3.548 -7.631 9.644 1.00 0.00 C ATOM 678 O GLU A 45 -3.748 -8.003 10.807 1.00 0.00 O ATOM 679 CB GLU A 45 -5.459 -5.972 9.264 1.00 0.00 C ATOM 680 CG GLU A 45 -5.978 -4.629 8.665 1.00 0.00 C ATOM 681 CD GLU A 45 -6.304 -4.699 7.153 1.00 0.00 C ATOM 682 OE1 GLU A 45 -7.448 -5.068 6.809 1.00 0.00 O ATOM 683 OE2 GLU A 45 -5.424 -4.396 6.316 1.00 0.00 O ATOM 0 H GLU A 45 -4.122 -5.729 7.162 1.00 0.00 H new ATOM 0 HA GLU A 45 -3.432 -5.492 9.906 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -5.938 -6.795 8.734 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -5.779 -6.033 10.304 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -6.874 -4.324 9.206 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -5.228 -3.856 8.829 1.00 0.00 H new ATOM 690 N ASP A 46 -3.022 -8.435 8.696 1.00 0.00 N ATOM 691 CA ASP A 46 -2.579 -9.830 8.920 1.00 0.00 C ATOM 692 C ASP A 46 -1.192 -9.883 9.628 1.00 0.00 C ATOM 693 O ASP A 46 -0.741 -10.957 10.050 1.00 0.00 O ATOM 694 CB ASP A 46 -2.540 -10.554 7.540 1.00 0.00 C ATOM 695 CG ASP A 46 -2.269 -12.072 7.600 1.00 0.00 C ATOM 696 OD1 ASP A 46 -2.927 -12.777 8.394 1.00 0.00 O ATOM 697 OD2 ASP A 46 -1.436 -12.574 6.816 1.00 0.00 O ATOM 0 H ASP A 46 -2.890 -8.127 7.733 1.00 0.00 H new ATOM 0 HA ASP A 46 -3.281 -10.336 9.583 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -3.492 -10.391 7.036 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -1.770 -10.088 6.925 1.00 0.00 H new ATOM 702 N GLY A 47 -0.534 -8.706 9.761 1.00 0.00 N ATOM 703 CA GLY A 47 0.772 -8.582 10.444 1.00 0.00 C ATOM 704 C GLY A 47 1.944 -8.474 9.471 1.00 0.00 C ATOM 705 O GLY A 47 3.065 -8.135 9.871 1.00 0.00 O ATOM 0 H GLY A 47 -0.893 -7.822 9.399 1.00 0.00 H new ATOM 0 HA2 GLY A 47 0.758 -7.702 11.087 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.922 -9.447 11.091 1.00 0.00 H new ATOM 709 N LEU A 48 1.689 -8.781 8.187 1.00 0.00 N ATOM 710 CA LEU A 48 2.704 -8.708 7.120 1.00 0.00 C ATOM 711 C LEU A 48 2.710 -7.301 6.501 1.00 0.00 C ATOM 712 O LEU A 48 1.649 -6.742 6.200 1.00 0.00 O ATOM 713 CB LEU A 48 2.451 -9.796 6.022 1.00 0.00 C ATOM 714 CG LEU A 48 2.778 -11.285 6.400 1.00 0.00 C ATOM 715 CD1 LEU A 48 4.259 -11.451 6.801 1.00 0.00 C ATOM 716 CD2 LEU A 48 1.833 -11.831 7.494 1.00 0.00 C ATOM 0 H LEU A 48 0.773 -9.087 7.859 1.00 0.00 H new ATOM 0 HA LEU A 48 3.682 -8.906 7.559 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.402 -9.744 5.730 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.040 -9.533 5.143 1.00 0.00 H new ATOM 0 HG LEU A 48 2.606 -11.884 5.506 1.00 0.00 H new ATOM 0 HD11 LEU A 48 4.452 -12.493 7.057 1.00 0.00 H new ATOM 0 HD12 LEU A 48 4.897 -11.158 5.967 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.476 -10.820 7.663 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.098 -12.863 7.722 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.930 -11.224 8.394 1.00 0.00 H new ATOM 0 HD23 LEU A 48 0.803 -11.791 7.139 1.00 0.00 H new ATOM 728 N ARG A 49 3.914 -6.742 6.330 1.00 0.00 N ATOM 729 CA ARG A 49 4.131 -5.413 5.733 1.00 0.00 C ATOM 730 C ARG A 49 4.822 -5.565 4.367 1.00 0.00 C ATOM 731 O ARG A 49 5.215 -6.672 3.975 1.00 0.00 O ATOM 732 CB ARG A 49 5.006 -4.530 6.670 1.00 0.00 C ATOM 733 CG ARG A 49 4.483 -4.411 8.121 1.00 0.00 C ATOM 734 CD ARG A 49 5.323 -3.454 8.982 1.00 0.00 C ATOM 735 NE ARG A 49 6.750 -3.850 9.018 1.00 0.00 N ATOM 736 CZ ARG A 49 7.789 -3.091 8.613 1.00 0.00 C ATOM 737 NH1 ARG A 49 7.589 -1.895 8.068 1.00 0.00 N ATOM 738 NH2 ARG A 49 9.022 -3.558 8.730 1.00 0.00 N ATOM 0 H ARG A 49 4.780 -7.205 6.606 1.00 0.00 H new ATOM 0 HA ARG A 49 3.164 -4.928 5.600 1.00 0.00 H new ATOM 0 HB2 ARG A 49 6.016 -4.940 6.695 1.00 0.00 H new ATOM 0 HB3 ARG A 49 5.078 -3.530 6.241 1.00 0.00 H new ATOM 0 HG2 ARG A 49 3.450 -4.063 8.102 1.00 0.00 H new ATOM 0 HG3 ARG A 49 4.479 -5.398 8.583 1.00 0.00 H new ATOM 0 HD2 ARG A 49 5.237 -2.441 8.588 1.00 0.00 H new ATOM 0 HD3 ARG A 49 4.926 -3.436 9.997 1.00 0.00 H new ATOM 0 HE ARG A 49 6.966 -4.778 9.381 1.00 0.00 H new ATOM 0 HH11 ARG A 49 6.640 -1.540 7.951 1.00 0.00 H new ATOM 0 HH12 ARG A 49 8.385 -1.332 7.767 1.00 0.00 H new ATOM 0 HH21 ARG A 49 9.181 -4.485 9.124 1.00 0.00 H new ATOM 0 HH22 ARG A 49 9.813 -2.991 8.426 1.00 0.00 H new ATOM 752 N GLY A 50 4.962 -4.440 3.658 1.00 0.00 N ATOM 753 CA GLY A 50 5.694 -4.393 2.394 1.00 0.00 C ATOM 754 C GLY A 50 5.953 -2.966 1.953 1.00 0.00 C ATOM 755 O GLY A 50 5.193 -2.063 2.302 1.00 0.00 O ATOM 0 H GLY A 50 4.572 -3.542 3.945 1.00 0.00 H new ATOM 0 HA2 GLY A 50 6.643 -4.919 2.502 1.00 0.00 H new ATOM 0 HA3 GLY A 50 5.126 -4.915 1.624 1.00 0.00 H new ATOM 759 N TRP A 51 7.024 -2.769 1.173 1.00 0.00 N ATOM 760 CA TRP A 51 7.423 -1.452 0.642 1.00 0.00 C ATOM 761 C TRP A 51 7.448 -1.553 -0.890 1.00 0.00 C ATOM 762 O TRP A 51 8.102 -2.439 -1.458 1.00 0.00 O ATOM 763 CB TRP A 51 8.801 -1.014 1.240 1.00 0.00 C ATOM 764 CG TRP A 51 9.904 -2.063 1.159 1.00 0.00 C ATOM 765 CD1 TRP A 51 9.993 -3.228 1.876 1.00 0.00 C ATOM 766 CD2 TRP A 51 11.074 -2.033 0.326 1.00 0.00 C ATOM 767 NE1 TRP A 51 11.128 -3.914 1.530 1.00 0.00 N ATOM 768 CE2 TRP A 51 11.808 -3.206 0.583 1.00 0.00 C ATOM 769 CE3 TRP A 51 11.564 -1.131 -0.618 1.00 0.00 C ATOM 770 CZ2 TRP A 51 13.006 -3.497 -0.063 1.00 0.00 C ATOM 771 CZ3 TRP A 51 12.750 -1.419 -1.261 1.00 0.00 C ATOM 772 CH2 TRP A 51 13.461 -2.596 -0.986 1.00 0.00 C ATOM 0 H TRP A 51 7.646 -3.525 0.888 1.00 0.00 H new ATOM 0 HA TRP A 51 6.710 -0.680 0.933 1.00 0.00 H new ATOM 0 HB2 TRP A 51 9.136 -0.116 0.721 1.00 0.00 H new ATOM 0 HB3 TRP A 51 8.656 -0.742 2.285 1.00 0.00 H new ATOM 0 HD1 TRP A 51 9.272 -3.558 2.609 1.00 0.00 H new ATOM 0 HE1 TRP A 51 11.418 -4.811 1.919 1.00 0.00 H new ATOM 0 HE3 TRP A 51 11.024 -0.223 -0.842 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 13.556 -4.400 0.156 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 13.139 -0.724 -1.991 1.00 0.00 H new ATOM 0 HH2 TRP A 51 14.383 -2.794 -1.512 1.00 0.00 H new ATOM 783 N PHE A 52 6.713 -0.643 -1.545 1.00 0.00 N ATOM 784 CA PHE A 52 6.401 -0.709 -2.992 1.00 0.00 C ATOM 785 C PHE A 52 6.387 0.717 -3.588 1.00 0.00 C ATOM 786 O PHE A 52 6.194 1.690 -2.837 1.00 0.00 O ATOM 787 CB PHE A 52 5.024 -1.428 -3.225 1.00 0.00 C ATOM 788 CG PHE A 52 5.037 -2.936 -2.938 1.00 0.00 C ATOM 789 CD1 PHE A 52 5.376 -3.851 -3.935 1.00 0.00 C ATOM 790 CD2 PHE A 52 4.722 -3.434 -1.671 1.00 0.00 C ATOM 791 CE1 PHE A 52 5.398 -5.214 -3.676 1.00 0.00 C ATOM 792 CE2 PHE A 52 4.746 -4.793 -1.414 1.00 0.00 C ATOM 793 CZ PHE A 52 5.082 -5.682 -2.413 1.00 0.00 C ATOM 0 H PHE A 52 6.310 0.173 -1.084 1.00 0.00 H new ATOM 0 HA PHE A 52 7.172 -1.291 -3.497 1.00 0.00 H new ATOM 0 HB2 PHE A 52 4.271 -0.957 -2.593 1.00 0.00 H new ATOM 0 HB3 PHE A 52 4.716 -1.270 -4.259 1.00 0.00 H new ATOM 0 HD1 PHE A 52 5.625 -3.493 -4.923 1.00 0.00 H new ATOM 0 HD2 PHE A 52 4.456 -2.748 -0.881 1.00 0.00 H new ATOM 0 HE1 PHE A 52 5.662 -5.909 -4.460 1.00 0.00 H new ATOM 0 HE2 PHE A 52 4.501 -5.159 -0.428 1.00 0.00 H new ATOM 0 HZ PHE A 52 5.098 -6.743 -2.210 1.00 0.00 H new ATOM 803 N PRO A 53 6.616 0.871 -4.948 1.00 0.00 N ATOM 804 CA PRO A 53 6.562 2.189 -5.626 1.00 0.00 C ATOM 805 C PRO A 53 5.127 2.775 -5.683 1.00 0.00 C ATOM 806 O PRO A 53 4.139 2.026 -5.708 1.00 0.00 O ATOM 807 CB PRO A 53 7.120 1.897 -7.060 1.00 0.00 C ATOM 808 CG PRO A 53 7.766 0.544 -6.960 1.00 0.00 C ATOM 809 CD PRO A 53 6.964 -0.201 -5.920 1.00 0.00 C ATOM 0 HA PRO A 53 7.138 2.943 -5.090 1.00 0.00 H new ATOM 0 HB2 PRO A 53 6.321 1.899 -7.802 1.00 0.00 H new ATOM 0 HB3 PRO A 53 7.840 2.656 -7.365 1.00 0.00 H new ATOM 0 HG2 PRO A 53 7.746 0.026 -7.919 1.00 0.00 H new ATOM 0 HG3 PRO A 53 8.812 0.628 -6.665 1.00 0.00 H new ATOM 0 HD2 PRO A 53 6.075 -0.664 -6.349 1.00 0.00 H new ATOM 0 HD3 PRO A 53 7.545 -0.997 -5.454 1.00 0.00 H new ATOM 817 N ALA A 54 5.051 4.120 -5.759 1.00 0.00 N ATOM 818 CA ALA A 54 3.785 4.890 -5.815 1.00 0.00 C ATOM 819 C ALA A 54 3.015 4.657 -7.135 1.00 0.00 C ATOM 820 O ALA A 54 1.842 5.011 -7.248 1.00 0.00 O ATOM 821 CB ALA A 54 4.082 6.391 -5.624 1.00 0.00 C ATOM 0 H ALA A 54 5.880 4.714 -5.784 1.00 0.00 H new ATOM 0 HA ALA A 54 3.145 4.536 -5.007 1.00 0.00 H new ATOM 0 HB1 ALA A 54 3.150 6.955 -5.666 1.00 0.00 H new ATOM 0 HB2 ALA A 54 4.558 6.547 -4.656 1.00 0.00 H new ATOM 0 HB3 ALA A 54 4.749 6.734 -6.415 1.00 0.00 H new ATOM 827 N SER A 55 3.705 4.071 -8.132 1.00 0.00 N ATOM 828 CA SER A 55 3.143 3.745 -9.462 1.00 0.00 C ATOM 829 C SER A 55 1.878 2.847 -9.382 1.00 0.00 C ATOM 830 O SER A 55 1.061 2.838 -10.314 1.00 0.00 O ATOM 831 CB SER A 55 4.239 3.051 -10.309 1.00 0.00 C ATOM 832 OG SER A 55 3.805 2.789 -11.630 1.00 0.00 O ATOM 0 H SER A 55 4.685 3.805 -8.037 1.00 0.00 H new ATOM 0 HA SER A 55 2.827 4.678 -9.929 1.00 0.00 H new ATOM 0 HB2 SER A 55 5.128 3.682 -10.338 1.00 0.00 H new ATOM 0 HB3 SER A 55 4.528 2.115 -9.831 1.00 0.00 H new ATOM 0 HG SER A 55 4.526 2.353 -12.131 1.00 0.00 H new ATOM 838 N TYR A 56 1.727 2.091 -8.271 1.00 0.00 N ATOM 839 CA TYR A 56 0.635 1.095 -8.106 1.00 0.00 C ATOM 840 C TYR A 56 -0.454 1.573 -7.117 1.00 0.00 C ATOM 841 O TYR A 56 -1.498 0.915 -6.975 1.00 0.00 O ATOM 842 CB TYR A 56 1.252 -0.249 -7.637 1.00 0.00 C ATOM 843 CG TYR A 56 2.362 -0.750 -8.579 1.00 0.00 C ATOM 844 CD1 TYR A 56 2.053 -1.300 -9.830 1.00 0.00 C ATOM 845 CD2 TYR A 56 3.716 -0.622 -8.242 1.00 0.00 C ATOM 846 CE1 TYR A 56 3.047 -1.710 -10.694 1.00 0.00 C ATOM 847 CE2 TYR A 56 4.710 -1.021 -9.118 1.00 0.00 C ATOM 848 CZ TYR A 56 4.367 -1.566 -10.338 1.00 0.00 C ATOM 849 OH TYR A 56 5.351 -1.937 -11.226 1.00 0.00 O ATOM 0 H TYR A 56 2.352 2.150 -7.467 1.00 0.00 H new ATOM 0 HA TYR A 56 0.139 0.965 -9.068 1.00 0.00 H new ATOM 0 HB2 TYR A 56 1.659 -0.127 -6.633 1.00 0.00 H new ATOM 0 HB3 TYR A 56 0.467 -1.003 -7.573 1.00 0.00 H new ATOM 0 HD1 TYR A 56 1.019 -1.405 -10.123 1.00 0.00 H new ATOM 0 HD2 TYR A 56 3.988 -0.205 -7.283 1.00 0.00 H new ATOM 0 HE1 TYR A 56 2.789 -2.144 -11.649 1.00 0.00 H new ATOM 0 HE2 TYR A 56 5.749 -0.906 -8.848 1.00 0.00 H new ATOM 0 HH TYR A 56 6.231 -1.773 -10.827 1.00 0.00 H new ATOM 859 N VAL A 57 -0.215 2.719 -6.437 1.00 0.00 N ATOM 860 CA VAL A 57 -1.139 3.282 -5.425 1.00 0.00 C ATOM 861 C VAL A 57 -1.288 4.809 -5.628 1.00 0.00 C ATOM 862 O VAL A 57 -0.296 5.539 -5.651 1.00 0.00 O ATOM 863 CB VAL A 57 -0.667 2.963 -3.941 1.00 0.00 C ATOM 864 CG1 VAL A 57 -0.858 1.460 -3.586 1.00 0.00 C ATOM 865 CG2 VAL A 57 0.810 3.406 -3.694 1.00 0.00 C ATOM 0 H VAL A 57 0.626 3.280 -6.575 1.00 0.00 H new ATOM 0 HA VAL A 57 -2.109 2.804 -5.565 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.305 3.547 -3.277 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -0.524 1.282 -2.564 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -1.912 1.196 -3.674 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -0.272 0.847 -4.271 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.094 3.170 -2.668 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.469 2.877 -4.383 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.900 4.480 -3.858 1.00 0.00 H new ATOM 875 N GLN A 58 -2.539 5.291 -5.786 1.00 0.00 N ATOM 876 CA GLN A 58 -2.830 6.732 -5.912 1.00 0.00 C ATOM 877 C GLN A 58 -2.848 7.375 -4.517 1.00 0.00 C ATOM 878 O GLN A 58 -3.568 6.918 -3.628 1.00 0.00 O ATOM 879 CB GLN A 58 -4.180 6.974 -6.637 1.00 0.00 C ATOM 880 CG GLN A 58 -4.487 8.463 -6.921 1.00 0.00 C ATOM 881 CD GLN A 58 -5.790 8.703 -7.694 1.00 0.00 C ATOM 882 OE1 GLN A 58 -6.755 7.952 -7.563 1.00 0.00 O ATOM 883 NE2 GLN A 58 -5.823 9.749 -8.511 1.00 0.00 N ATOM 0 H GLN A 58 -3.367 4.697 -5.829 1.00 0.00 H new ATOM 0 HA GLN A 58 -2.046 7.192 -6.514 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -4.176 6.429 -7.581 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -4.985 6.557 -6.032 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -4.537 8.999 -5.973 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -3.659 8.891 -7.486 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -5.006 10.354 -8.598 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -6.665 9.948 -9.051 1.00 0.00 H new ATOM 892 N LEU A 59 -2.065 8.446 -4.358 1.00 0.00 N ATOM 893 CA LEU A 59 -1.840 9.107 -3.068 1.00 0.00 C ATOM 894 C LEU A 59 -3.082 9.910 -2.639 1.00 0.00 C ATOM 895 O LEU A 59 -3.674 10.631 -3.453 1.00 0.00 O ATOM 896 CB LEU A 59 -0.601 10.034 -3.173 1.00 0.00 C ATOM 897 CG LEU A 59 0.683 9.386 -3.792 1.00 0.00 C ATOM 898 CD1 LEU A 59 1.842 10.405 -3.859 1.00 0.00 C ATOM 899 CD2 LEU A 59 1.088 8.097 -3.032 1.00 0.00 C ATOM 0 H LEU A 59 -1.563 8.884 -5.130 1.00 0.00 H new ATOM 0 HA LEU A 59 -1.657 8.347 -2.308 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -0.871 10.904 -3.772 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -0.357 10.397 -2.175 1.00 0.00 H new ATOM 0 HG LEU A 59 0.450 9.092 -4.815 1.00 0.00 H new ATOM 0 HD11 LEU A 59 2.721 9.928 -4.293 1.00 0.00 H new ATOM 0 HD12 LEU A 59 1.546 11.252 -4.478 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.078 10.754 -2.854 1.00 0.00 H new ATOM 0 HD21 LEU A 59 1.983 7.672 -3.487 1.00 0.00 H new ATOM 0 HD22 LEU A 59 1.291 8.338 -1.989 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.275 7.373 -3.085 1.00 0.00 H new ATOM 911 N LEU A 60 -3.476 9.758 -1.366 1.00 0.00 N ATOM 912 CA LEU A 60 -4.584 10.511 -0.762 1.00 0.00 C ATOM 913 C LEU A 60 -3.988 11.673 0.068 1.00 0.00 C ATOM 914 O LEU A 60 -3.460 11.414 1.172 1.00 0.00 O ATOM 915 CB LEU A 60 -5.452 9.567 0.122 1.00 0.00 C ATOM 916 CG LEU A 60 -6.031 8.293 -0.575 1.00 0.00 C ATOM 917 CD1 LEU A 60 -6.839 7.429 0.426 1.00 0.00 C ATOM 918 CD2 LEU A 60 -6.871 8.656 -1.826 1.00 0.00 C ATOM 919 OXT LEU A 60 -4.012 12.836 -0.398 1.00 0.00 O ATOM 0 H LEU A 60 -3.031 9.104 -0.722 1.00 0.00 H new ATOM 0 HA LEU A 60 -5.233 10.921 -1.535 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -4.849 9.246 0.972 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -6.285 10.145 0.522 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.188 7.695 -0.921 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -7.230 6.550 -0.086 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -6.189 7.115 1.243 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -7.667 8.014 0.826 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -7.256 7.744 -2.283 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -7.704 9.295 -1.532 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.244 9.185 -2.544 1.00 0.00 H new