USER MOD reduce.3.24.130724 H: found=0, std=0, add=494, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 495 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 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot -112:sc= 0.61 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.846 K(o=-0.85,f=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -0.429 K(o=-0.43,f=-1) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HD1:sc= -3.71! C(o=-3.7!,f=-6.7!) USER MOD Single : A 44 THR OG1 : rot -63:sc= 0.0869 USER MOD Single : A 45 LYS NZ :NH3+ 165:sc= -0.0618 (180deg=-0.314) USER MOD Single : A 52 SER OG : rot 24:sc= 0.238 USER MOD Single : A 54 GLN : amide:sc= 0.331 K(o=0.33,f=-3.9!) USER MOD Single : A 58 SER OG : rot 42:sc= 0.0178 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 22 N PHE A 2 9.939 6.644 -5.639 1.00 0.00 N ATOM 23 CA PHE A 2 8.682 6.221 -5.032 1.00 0.00 C ATOM 24 C PHE A 2 8.730 6.379 -3.514 1.00 0.00 C ATOM 25 O PHE A 2 9.808 6.482 -2.926 1.00 0.00 O ATOM 26 CB PHE A 2 8.385 4.766 -5.397 1.00 0.00 C ATOM 27 CG PHE A 2 8.550 4.465 -6.860 1.00 0.00 C ATOM 28 CD1 PHE A 2 7.570 4.823 -7.772 1.00 0.00 C ATOM 29 CD2 PHE A 2 9.686 3.819 -7.323 1.00 0.00 C ATOM 30 CE1 PHE A 2 7.721 4.545 -9.117 1.00 0.00 C ATOM 31 CE2 PHE A 2 9.842 3.539 -8.667 1.00 0.00 C ATOM 32 CZ PHE A 2 8.857 3.901 -9.565 1.00 0.00 C ATOM 0 HA PHE A 2 7.886 6.857 -5.419 1.00 0.00 H new ATOM 0 HB2 PHE A 2 9.045 4.115 -4.824 1.00 0.00 H new ATOM 0 HB3 PHE A 2 7.364 4.527 -5.099 1.00 0.00 H new ATOM 0 HD1 PHE A 2 6.678 5.325 -7.428 1.00 0.00 H new ATOM 0 HD2 PHE A 2 10.458 3.531 -6.625 1.00 0.00 H new ATOM 0 HE1 PHE A 2 6.951 4.831 -9.818 1.00 0.00 H new ATOM 0 HE2 PHE A 2 10.733 3.038 -9.015 1.00 0.00 H new ATOM 0 HZ PHE A 2 8.975 3.681 -10.616 1.00 0.00 H new ATOM 42 N ASP A 3 7.558 6.396 -2.882 1.00 0.00 N ATOM 43 CA ASP A 3 7.473 6.548 -1.432 1.00 0.00 C ATOM 44 C ASP A 3 6.746 5.366 -0.797 1.00 0.00 C ATOM 45 O ASP A 3 5.542 5.196 -0.978 1.00 0.00 O ATOM 46 CB ASP A 3 6.751 7.848 -1.077 1.00 0.00 C ATOM 47 CG ASP A 3 6.773 8.132 0.412 1.00 0.00 C ATOM 48 OD1 ASP A 3 5.933 7.559 1.138 1.00 0.00 O ATOM 49 OD2 ASP A 3 7.631 8.926 0.853 1.00 0.00 O ATOM 0 H ASP A 3 6.656 6.307 -3.350 1.00 0.00 H new ATOM 0 HA ASP A 3 8.489 6.580 -1.039 1.00 0.00 H new ATOM 0 HB2 ASP A 3 7.218 8.677 -1.609 1.00 0.00 H new ATOM 0 HB3 ASP A 3 5.717 7.791 -1.418 1.00 0.00 H new ATOM 54 N ILE A 4 7.484 4.562 -0.037 1.00 0.00 N ATOM 55 CA ILE A 4 6.917 3.398 0.630 1.00 0.00 C ATOM 56 C ILE A 4 6.274 3.780 1.960 1.00 0.00 C ATOM 57 O ILE A 4 6.830 4.560 2.731 1.00 0.00 O ATOM 58 CB ILE A 4 8.000 2.332 0.887 1.00 0.00 C ATOM 59 CG1 ILE A 4 8.786 2.048 -0.396 1.00 0.00 C ATOM 60 CG2 ILE A 4 7.368 1.056 1.419 1.00 0.00 C ATOM 61 CD1 ILE A 4 10.003 1.175 -0.183 1.00 0.00 C ATOM 0 H ILE A 4 8.481 4.698 0.132 1.00 0.00 H new ATOM 0 HA ILE A 4 6.153 2.990 -0.032 1.00 0.00 H new ATOM 0 HB ILE A 4 8.693 2.714 1.637 1.00 0.00 H new ATOM 0 HG12 ILE A 4 8.126 1.566 -1.117 1.00 0.00 H new ATOM 0 HG13 ILE A 4 9.101 2.994 -0.836 1.00 0.00 H new ATOM 0 HG21 ILE A 4 8.144 0.312 1.596 1.00 0.00 H new ATOM 0 HG22 ILE A 4 6.850 1.269 2.354 1.00 0.00 H new ATOM 0 HG23 ILE A 4 6.656 0.671 0.689 1.00 0.00 H new ATOM 0 HD11 ILE A 4 10.509 1.017 -1.136 1.00 0.00 H new ATOM 0 HD12 ILE A 4 10.684 1.664 0.513 1.00 0.00 H new ATOM 0 HD13 ILE A 4 9.694 0.214 0.227 1.00 0.00 H new ATOM 73 N TYR A 5 5.093 3.222 2.214 1.00 0.00 N ATOM 74 CA TYR A 5 4.358 3.487 3.445 1.00 0.00 C ATOM 75 C TYR A 5 4.285 2.233 4.307 1.00 0.00 C ATOM 76 O TYR A 5 4.198 1.120 3.788 1.00 0.00 O ATOM 77 CB TYR A 5 2.942 3.972 3.127 1.00 0.00 C ATOM 78 CG TYR A 5 2.894 5.291 2.388 1.00 0.00 C ATOM 79 CD1 TYR A 5 2.986 5.336 1.003 1.00 0.00 C ATOM 80 CD2 TYR A 5 2.757 6.490 3.077 1.00 0.00 C ATOM 81 CE1 TYR A 5 2.940 6.539 0.324 1.00 0.00 C ATOM 82 CE2 TYR A 5 2.711 7.697 2.405 1.00 0.00 C ATOM 83 CZ TYR A 5 2.804 7.716 1.030 1.00 0.00 C ATOM 84 OH TYR A 5 2.757 8.915 0.358 1.00 0.00 O ATOM 0 H TYR A 5 4.623 2.579 1.577 1.00 0.00 H new ATOM 0 HA TYR A 5 4.888 4.265 3.995 1.00 0.00 H new ATOM 0 HB2 TYR A 5 2.435 3.214 2.530 1.00 0.00 H new ATOM 0 HB3 TYR A 5 2.385 4.069 4.059 1.00 0.00 H new ATOM 0 HD1 TYR A 5 3.095 4.416 0.448 1.00 0.00 H new ATOM 0 HD2 TYR A 5 2.685 6.479 4.155 1.00 0.00 H new ATOM 0 HE1 TYR A 5 3.010 6.557 -0.754 1.00 0.00 H new ATOM 0 HE2 TYR A 5 2.603 8.620 2.955 1.00 0.00 H new ATOM 0 HH TYR A 5 2.658 9.647 1.002 1.00 0.00 H new ATOM 94 N VAL A 6 4.322 2.418 5.621 1.00 0.00 N ATOM 95 CA VAL A 6 4.254 1.296 6.548 1.00 0.00 C ATOM 96 C VAL A 6 2.897 1.247 7.246 1.00 0.00 C ATOM 97 O VAL A 6 2.428 2.247 7.792 1.00 0.00 O ATOM 98 CB VAL A 6 5.378 1.364 7.603 1.00 0.00 C ATOM 99 CG1 VAL A 6 5.270 2.634 8.434 1.00 0.00 C ATOM 100 CG2 VAL A 6 5.349 0.130 8.494 1.00 0.00 C ATOM 0 H VAL A 6 4.399 3.332 6.067 1.00 0.00 H new ATOM 0 HA VAL A 6 4.386 0.387 5.961 1.00 0.00 H new ATOM 0 HB VAL A 6 6.334 1.387 7.080 1.00 0.00 H new ATOM 0 HG11 VAL A 6 6.074 2.657 9.170 1.00 0.00 H new ATOM 0 HG12 VAL A 6 5.350 3.504 7.782 1.00 0.00 H new ATOM 0 HG13 VAL A 6 4.308 2.653 8.947 1.00 0.00 H new ATOM 0 HG21 VAL A 6 6.149 0.195 9.232 1.00 0.00 H new ATOM 0 HG22 VAL A 6 4.388 0.072 9.005 1.00 0.00 H new ATOM 0 HG23 VAL A 6 5.490 -0.762 7.884 1.00 0.00 H new ATOM 110 N VAL A 7 2.264 0.079 7.215 1.00 0.00 N ATOM 111 CA VAL A 7 0.961 -0.101 7.842 1.00 0.00 C ATOM 112 C VAL A 7 1.104 -0.262 9.352 1.00 0.00 C ATOM 113 O VAL A 7 1.561 -1.297 9.836 1.00 0.00 O ATOM 114 CB VAL A 7 0.226 -1.326 7.265 1.00 0.00 C ATOM 115 CG1 VAL A 7 -1.179 -1.432 7.839 1.00 0.00 C ATOM 116 CG2 VAL A 7 0.185 -1.254 5.746 1.00 0.00 C ATOM 0 H VAL A 7 2.633 -0.757 6.762 1.00 0.00 H new ATOM 0 HA VAL A 7 0.374 0.792 7.629 1.00 0.00 H new ATOM 0 HB VAL A 7 0.775 -2.223 7.551 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -1.679 -2.304 7.418 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -1.123 -1.534 8.923 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -1.743 -0.534 7.588 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -0.338 -2.127 5.354 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -0.339 -0.349 5.439 1.00 0.00 H new ATOM 0 HG23 VAL A 7 1.202 -1.235 5.355 1.00 0.00 H new ATOM 126 N THR A 8 0.711 0.772 10.090 1.00 0.00 N ATOM 127 CA THR A 8 0.800 0.752 11.546 1.00 0.00 C ATOM 128 C THR A 8 -0.585 0.772 12.186 1.00 0.00 C ATOM 129 O THR A 8 -0.724 1.061 13.375 1.00 0.00 O ATOM 130 CB THR A 8 1.611 1.952 12.070 1.00 0.00 C ATOM 131 OG1 THR A 8 0.965 3.178 11.704 1.00 0.00 O ATOM 132 CG2 THR A 8 3.026 1.935 11.510 1.00 0.00 C ATOM 0 H THR A 8 0.328 1.634 9.703 1.00 0.00 H new ATOM 0 HA THR A 8 1.307 -0.173 11.820 1.00 0.00 H new ATOM 0 HB THR A 8 1.665 1.879 13.156 1.00 0.00 H new ATOM 0 HG1 THR A 8 1.514 3.653 11.046 1.00 0.00 H new ATOM 0 HG21 THR A 8 3.580 2.792 11.894 1.00 0.00 H new ATOM 0 HG22 THR A 8 3.526 1.015 11.812 1.00 0.00 H new ATOM 0 HG23 THR A 8 2.987 1.986 10.422 1.00 0.00 H new ATOM 140 N ALA A 9 -1.607 0.460 11.393 1.00 0.00 N ATOM 141 CA ALA A 9 -2.979 0.445 11.887 1.00 0.00 C ATOM 142 C ALA A 9 -3.746 -0.763 11.360 1.00 0.00 C ATOM 143 O ALA A 9 -4.965 -0.846 11.508 1.00 0.00 O ATOM 144 CB ALA A 9 -3.690 1.733 11.502 1.00 0.00 C ATOM 0 H ALA A 9 -1.510 0.215 10.408 1.00 0.00 H new ATOM 0 HA ALA A 9 -2.945 0.370 12.974 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -4.713 1.710 11.876 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -3.164 2.583 11.937 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -3.703 1.831 10.416 1.00 0.00 H new ATOM 150 N ASP A 10 -3.020 -1.697 10.745 1.00 0.00 N ATOM 151 CA ASP A 10 -3.621 -2.912 10.195 1.00 0.00 C ATOM 152 C ASP A 10 -4.598 -2.582 9.067 1.00 0.00 C ATOM 153 O ASP A 10 -5.092 -1.459 8.965 1.00 0.00 O ATOM 154 CB ASP A 10 -4.337 -3.699 11.297 1.00 0.00 C ATOM 155 CG ASP A 10 -4.879 -5.026 10.802 1.00 0.00 C ATOM 156 OD1 ASP A 10 -4.128 -6.023 10.833 1.00 0.00 O ATOM 157 OD2 ASP A 10 -6.056 -5.068 10.383 1.00 0.00 O ATOM 0 H ASP A 10 -2.010 -1.634 10.615 1.00 0.00 H new ATOM 0 HA ASP A 10 -2.820 -3.526 9.783 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -3.645 -3.877 12.120 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -5.157 -3.100 11.693 1.00 0.00 H new ATOM 162 N TYR A 11 -4.867 -3.570 8.218 1.00 0.00 N ATOM 163 CA TYR A 11 -5.789 -3.388 7.100 1.00 0.00 C ATOM 164 C TYR A 11 -6.340 -4.729 6.628 1.00 0.00 C ATOM 165 O TYR A 11 -5.779 -5.364 5.736 1.00 0.00 O ATOM 166 CB TYR A 11 -5.090 -2.673 5.941 1.00 0.00 C ATOM 167 CG TYR A 11 -6.022 -2.318 4.805 1.00 0.00 C ATOM 168 CD1 TYR A 11 -6.835 -1.194 4.875 1.00 0.00 C ATOM 169 CD2 TYR A 11 -6.091 -3.107 3.664 1.00 0.00 C ATOM 170 CE1 TYR A 11 -7.693 -0.868 3.842 1.00 0.00 C ATOM 171 CE2 TYR A 11 -6.946 -2.788 2.626 1.00 0.00 C ATOM 172 CZ TYR A 11 -7.744 -1.668 2.719 1.00 0.00 C ATOM 173 OH TYR A 11 -8.597 -1.346 1.689 1.00 0.00 O ATOM 0 H TYR A 11 -4.461 -4.503 8.282 1.00 0.00 H new ATOM 0 HA TYR A 11 -6.621 -2.773 7.445 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -4.622 -1.763 6.315 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -4.291 -3.309 5.560 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -6.796 -0.564 5.752 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -5.466 -3.984 3.587 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -8.320 0.008 3.913 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -6.989 -3.413 1.746 1.00 0.00 H new ATOM 0 HH TYR A 11 -8.511 -2.010 0.973 1.00 0.00 H new ATOM 183 N LEU A 12 -7.444 -5.157 7.234 1.00 0.00 N ATOM 184 CA LEU A 12 -8.068 -6.426 6.877 1.00 0.00 C ATOM 185 C LEU A 12 -9.359 -6.203 6.085 1.00 0.00 C ATOM 186 O LEU A 12 -10.265 -5.516 6.555 1.00 0.00 O ATOM 187 CB LEU A 12 -8.371 -7.235 8.140 1.00 0.00 C ATOM 188 CG LEU A 12 -8.972 -8.621 7.898 1.00 0.00 C ATOM 189 CD1 LEU A 12 -7.958 -9.534 7.225 1.00 0.00 C ATOM 190 CD2 LEU A 12 -9.453 -9.228 9.207 1.00 0.00 C ATOM 0 H LEU A 12 -7.924 -4.644 7.974 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.371 -6.980 6.248 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -7.448 -7.351 8.708 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -9.058 -6.662 8.763 1.00 0.00 H new ATOM 0 HG LEU A 12 -9.829 -8.513 7.233 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -8.404 -10.515 7.061 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -7.662 -9.106 6.267 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -7.081 -9.636 7.863 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -9.878 -10.214 9.017 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -8.613 -9.322 9.895 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -10.214 -8.584 9.649 1.00 0.00 H new ATOM 202 N PRO A 13 -9.460 -6.778 4.867 1.00 0.00 N ATOM 203 CA PRO A 13 -10.656 -6.634 4.026 1.00 0.00 C ATOM 204 C PRO A 13 -11.915 -7.150 4.713 1.00 0.00 C ATOM 205 O PRO A 13 -11.860 -8.091 5.503 1.00 0.00 O ATOM 206 CB PRO A 13 -10.342 -7.494 2.798 1.00 0.00 C ATOM 207 CG PRO A 13 -8.857 -7.596 2.771 1.00 0.00 C ATOM 208 CD PRO A 13 -8.426 -7.599 4.210 1.00 0.00 C ATOM 0 HA PRO A 13 -10.858 -5.588 3.794 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -10.804 -8.478 2.876 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -10.723 -7.034 1.886 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -8.536 -8.506 2.264 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -8.416 -6.758 2.232 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -8.392 -8.609 4.619 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -7.431 -7.171 4.334 1.00 0.00 H new ATOM 216 N LEU A 14 -13.048 -6.528 4.404 1.00 0.00 N ATOM 217 CA LEU A 14 -14.320 -6.935 4.985 1.00 0.00 C ATOM 218 C LEU A 14 -15.094 -7.820 4.015 1.00 0.00 C ATOM 219 O LEU A 14 -15.789 -7.327 3.126 1.00 0.00 O ATOM 220 CB LEU A 14 -15.158 -5.707 5.354 1.00 0.00 C ATOM 221 CG LEU A 14 -14.562 -4.813 6.445 1.00 0.00 C ATOM 222 CD1 LEU A 14 -15.391 -3.549 6.609 1.00 0.00 C ATOM 223 CD2 LEU A 14 -14.473 -5.567 7.764 1.00 0.00 C ATOM 0 H LEU A 14 -13.110 -5.743 3.756 1.00 0.00 H new ATOM 0 HA LEU A 14 -14.113 -7.505 5.890 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -15.308 -5.107 4.457 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -16.142 -6.044 5.680 1.00 0.00 H new ATOM 0 HG LEU A 14 -13.554 -4.528 6.143 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -14.953 -2.925 7.388 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -15.405 -2.998 5.668 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -16.410 -3.816 6.888 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -14.047 -4.916 8.527 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -15.470 -5.882 8.071 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -13.838 -6.444 7.640 1.00 0.00 H new ATOM 235 N GLY A 15 -14.962 -9.130 4.190 1.00 0.00 N ATOM 236 CA GLY A 15 -15.655 -10.069 3.328 1.00 0.00 C ATOM 237 C GLY A 15 -15.053 -10.139 1.939 1.00 0.00 C ATOM 238 O GLY A 15 -14.088 -10.869 1.711 1.00 0.00 O ATOM 0 H GLY A 15 -14.386 -9.559 4.915 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -15.629 -11.060 3.781 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -16.703 -9.781 3.251 1.00 0.00 H new ATOM 242 N ALA A 16 -15.622 -9.377 1.009 1.00 0.00 N ATOM 243 CA ALA A 16 -15.137 -9.357 -0.366 1.00 0.00 C ATOM 244 C ALA A 16 -14.633 -7.970 -0.752 1.00 0.00 C ATOM 245 O ALA A 16 -15.410 -7.020 -0.849 1.00 0.00 O ATOM 246 CB ALA A 16 -16.236 -9.805 -1.319 1.00 0.00 C ATOM 0 H ALA A 16 -16.419 -8.765 1.183 1.00 0.00 H new ATOM 0 HA ALA A 16 -14.300 -10.052 -0.440 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -15.861 -9.785 -2.342 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -16.546 -10.819 -1.066 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -17.089 -9.132 -1.233 1.00 0.00 H new ATOM 252 N GLU A 17 -13.326 -7.863 -0.972 1.00 0.00 N ATOM 253 CA GLU A 17 -12.715 -6.594 -1.348 1.00 0.00 C ATOM 254 C GLU A 17 -12.853 -6.340 -2.847 1.00 0.00 C ATOM 255 O GLU A 17 -12.619 -7.230 -3.664 1.00 0.00 O ATOM 256 CB GLU A 17 -11.238 -6.562 -0.937 1.00 0.00 C ATOM 257 CG GLU A 17 -10.556 -7.923 -0.949 1.00 0.00 C ATOM 258 CD GLU A 17 -10.518 -8.555 -2.327 1.00 0.00 C ATOM 259 OE1 GLU A 17 -9.597 -8.227 -3.104 1.00 0.00 O ATOM 260 OE2 GLU A 17 -11.408 -9.378 -2.627 1.00 0.00 O ATOM 0 H GLU A 17 -12.670 -8.640 -0.896 1.00 0.00 H new ATOM 0 HA GLU A 17 -13.242 -5.800 -0.818 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -10.700 -5.893 -1.609 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -11.160 -6.138 0.064 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -9.537 -7.816 -0.576 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -11.078 -8.591 -0.263 1.00 0.00 H new ATOM 267 N GLN A 18 -13.240 -5.117 -3.201 1.00 0.00 N ATOM 268 CA GLN A 18 -13.407 -4.741 -4.600 1.00 0.00 C ATOM 269 C GLN A 18 -12.316 -3.770 -5.035 1.00 0.00 C ATOM 270 O GLN A 18 -12.216 -2.659 -4.512 1.00 0.00 O ATOM 271 CB GLN A 18 -14.786 -4.115 -4.823 1.00 0.00 C ATOM 272 CG GLN A 18 -15.030 -3.676 -6.259 1.00 0.00 C ATOM 273 CD GLN A 18 -16.429 -3.131 -6.480 1.00 0.00 C ATOM 274 OE1 GLN A 18 -16.988 -3.256 -7.569 1.00 0.00 O ATOM 275 NE2 GLN A 18 -17.000 -2.521 -5.449 1.00 0.00 N ATOM 0 H GLN A 18 -13.444 -4.370 -2.537 1.00 0.00 H new ATOM 0 HA GLN A 18 -13.326 -5.644 -5.205 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -15.553 -4.834 -4.536 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -14.895 -3.253 -4.165 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -14.301 -2.912 -6.529 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -14.866 -4.523 -6.925 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -16.500 -2.440 -4.564 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -17.939 -2.133 -5.542 1.00 0.00 H new ATOM 284 N ASP A 19 -11.498 -4.197 -5.996 1.00 0.00 N ATOM 285 CA ASP A 19 -10.407 -3.371 -6.507 1.00 0.00 C ATOM 286 C ASP A 19 -9.439 -2.991 -5.389 1.00 0.00 C ATOM 287 O ASP A 19 -8.655 -2.052 -5.528 1.00 0.00 O ATOM 288 CB ASP A 19 -10.958 -2.108 -7.175 1.00 0.00 C ATOM 289 CG ASP A 19 -11.733 -2.414 -8.441 1.00 0.00 C ATOM 290 OD1 ASP A 19 -11.097 -2.551 -9.508 1.00 0.00 O ATOM 291 OD2 ASP A 19 -12.975 -2.517 -8.367 1.00 0.00 O ATOM 0 H ASP A 19 -11.571 -5.114 -6.437 1.00 0.00 H new ATOM 0 HA ASP A 19 -9.863 -3.955 -7.250 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -11.606 -1.583 -6.474 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -10.133 -1.436 -7.411 1.00 0.00 H new ATOM 296 N ALA A 20 -9.497 -3.730 -4.286 1.00 0.00 N ATOM 297 CA ALA A 20 -8.624 -3.475 -3.146 1.00 0.00 C ATOM 298 C ALA A 20 -7.660 -4.634 -2.926 1.00 0.00 C ATOM 299 O ALA A 20 -7.842 -5.721 -3.478 1.00 0.00 O ATOM 300 CB ALA A 20 -9.448 -3.227 -1.893 1.00 0.00 C ATOM 0 H ALA A 20 -10.140 -4.511 -4.157 1.00 0.00 H new ATOM 0 HA ALA A 20 -8.037 -2.582 -3.362 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -8.782 -3.038 -1.051 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -10.093 -2.362 -2.047 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -10.061 -4.103 -1.681 1.00 0.00 H new ATOM 306 N ILE A 21 -6.632 -4.397 -2.117 1.00 0.00 N ATOM 307 CA ILE A 21 -5.640 -5.423 -1.823 1.00 0.00 C ATOM 308 C ILE A 21 -5.491 -5.627 -0.318 1.00 0.00 C ATOM 309 O ILE A 21 -5.433 -4.663 0.448 1.00 0.00 O ATOM 310 CB ILE A 21 -4.266 -5.063 -2.428 1.00 0.00 C ATOM 311 CG1 ILE A 21 -3.233 -6.144 -2.090 1.00 0.00 C ATOM 312 CG2 ILE A 21 -3.806 -3.701 -1.928 1.00 0.00 C ATOM 313 CD1 ILE A 21 -1.891 -5.931 -2.757 1.00 0.00 C ATOM 0 H ILE A 21 -6.465 -3.504 -1.654 1.00 0.00 H new ATOM 0 HA ILE A 21 -5.994 -6.349 -2.276 1.00 0.00 H new ATOM 0 HB ILE A 21 -4.365 -5.013 -3.512 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -3.091 -6.174 -1.010 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -3.627 -7.116 -2.387 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -2.836 -3.462 -2.364 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -4.532 -2.942 -2.220 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -3.720 -3.722 -0.842 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -1.211 -6.734 -2.472 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -2.019 -5.931 -3.840 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -1.475 -4.974 -2.441 1.00 0.00 H new ATOM 325 N THR A 22 -5.437 -6.888 0.100 1.00 0.00 N ATOM 326 CA THR A 22 -5.292 -7.219 1.512 1.00 0.00 C ATOM 327 C THR A 22 -3.912 -6.825 2.026 1.00 0.00 C ATOM 328 O THR A 22 -2.923 -6.908 1.299 1.00 0.00 O ATOM 329 CB THR A 22 -5.517 -8.722 1.768 1.00 0.00 C ATOM 330 OG1 THR A 22 -5.424 -8.999 3.171 1.00 0.00 O ATOM 331 CG2 THR A 22 -4.497 -9.562 1.013 1.00 0.00 C ATOM 0 H THR A 22 -5.492 -7.697 -0.519 1.00 0.00 H new ATOM 0 HA THR A 22 -6.054 -6.654 2.049 1.00 0.00 H new ATOM 0 HB THR A 22 -6.513 -8.982 1.410 1.00 0.00 H new ATOM 0 HG1 THR A 22 -5.570 -9.956 3.326 1.00 0.00 H new ATOM 0 HG21 THR A 22 -4.678 -10.619 1.211 1.00 0.00 H new ATOM 0 HG22 THR A 22 -4.589 -9.372 -0.056 1.00 0.00 H new ATOM 0 HG23 THR A 22 -3.492 -9.298 1.343 1.00 0.00 H new ATOM 339 N LEU A 23 -3.853 -6.396 3.283 1.00 0.00 N ATOM 340 CA LEU A 23 -2.591 -5.987 3.891 1.00 0.00 C ATOM 341 C LEU A 23 -2.555 -6.326 5.376 1.00 0.00 C ATOM 342 O LEU A 23 -3.568 -6.699 5.968 1.00 0.00 O ATOM 343 CB LEU A 23 -2.372 -4.483 3.701 1.00 0.00 C ATOM 344 CG LEU A 23 -2.069 -4.042 2.267 1.00 0.00 C ATOM 345 CD1 LEU A 23 -2.020 -2.524 2.175 1.00 0.00 C ATOM 346 CD2 LEU A 23 -0.757 -4.645 1.789 1.00 0.00 C ATOM 0 H LEU A 23 -4.662 -6.323 3.899 1.00 0.00 H new ATOM 0 HA LEU A 23 -1.791 -6.536 3.394 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.262 -3.957 4.045 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.548 -4.169 4.342 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.870 -4.402 1.621 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.803 -2.229 1.148 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.982 -2.110 2.477 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.239 -2.145 2.834 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.558 -4.320 0.768 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.053 -4.315 2.439 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -0.825 -5.733 1.817 1.00 0.00 H new ATOM 358 N ARG A 24 -1.374 -6.198 5.969 1.00 0.00 N ATOM 359 CA ARG A 24 -1.187 -6.474 7.386 1.00 0.00 C ATOM 360 C ARG A 24 -0.375 -5.363 8.039 1.00 0.00 C ATOM 361 O ARG A 24 0.459 -4.732 7.389 1.00 0.00 O ATOM 362 CB ARG A 24 -0.479 -7.817 7.585 1.00 0.00 C ATOM 363 CG ARG A 24 -1.349 -9.021 7.265 1.00 0.00 C ATOM 364 CD ARG A 24 -0.610 -10.321 7.537 1.00 0.00 C ATOM 365 NE ARG A 24 -1.486 -11.484 7.431 1.00 0.00 N ATOM 366 CZ ARG A 24 -1.526 -12.460 8.333 1.00 0.00 C ATOM 367 NH1 ARG A 24 -0.748 -12.407 9.407 1.00 0.00 N ATOM 368 NH2 ARG A 24 -2.347 -13.488 8.167 1.00 0.00 N ATOM 0 H ARG A 24 -0.526 -5.902 5.485 1.00 0.00 H new ATOM 0 HA ARG A 24 -2.169 -6.521 7.856 1.00 0.00 H new ATOM 0 HB2 ARG A 24 0.410 -7.845 6.955 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -0.140 -7.889 8.619 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -2.259 -8.985 7.864 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -1.654 -8.985 6.219 1.00 0.00 H new ATOM 0 HD2 ARG A 24 0.214 -10.423 6.831 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -0.173 -10.287 8.535 1.00 0.00 H new ATOM 0 HE ARG A 24 -2.101 -11.552 6.620 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -0.118 -11.616 9.542 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -0.780 -13.157 10.098 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -2.950 -13.532 7.346 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -2.375 -14.235 8.861 1.00 0.00 H new ATOM 382 N GLU A 25 -0.624 -5.123 9.321 1.00 0.00 N ATOM 383 CA GLU A 25 0.092 -4.084 10.051 1.00 0.00 C ATOM 384 C GLU A 25 1.584 -4.400 10.111 1.00 0.00 C ATOM 385 O GLU A 25 2.043 -5.124 10.994 1.00 0.00 O ATOM 386 CB GLU A 25 -0.475 -3.936 11.463 1.00 0.00 C ATOM 387 CG GLU A 25 0.247 -2.897 12.306 1.00 0.00 C ATOM 388 CD GLU A 25 -0.365 -2.734 13.681 1.00 0.00 C ATOM 389 OE1 GLU A 25 -1.352 -1.979 13.806 1.00 0.00 O ATOM 390 OE2 GLU A 25 0.142 -3.361 14.635 1.00 0.00 O ATOM 0 H GLU A 25 -1.313 -5.632 9.875 1.00 0.00 H new ATOM 0 HA GLU A 25 -0.040 -3.141 9.521 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -1.529 -3.667 11.395 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -0.424 -4.900 11.968 1.00 0.00 H new ATOM 0 HG2 GLU A 25 1.294 -3.183 12.410 1.00 0.00 H new ATOM 0 HG3 GLU A 25 0.228 -1.938 11.788 1.00 0.00 H new ATOM 397 N GLY A 26 2.331 -3.854 9.156 1.00 0.00 N ATOM 398 CA GLY A 26 3.763 -4.083 9.104 1.00 0.00 C ATOM 399 C GLY A 26 4.245 -4.372 7.697 1.00 0.00 C ATOM 400 O GLY A 26 5.341 -4.898 7.504 1.00 0.00 O ATOM 0 H GLY A 26 1.968 -3.255 8.415 1.00 0.00 H new ATOM 0 HA2 GLY A 26 4.284 -3.208 9.492 1.00 0.00 H new ATOM 0 HA3 GLY A 26 4.019 -4.920 9.753 1.00 0.00 H new ATOM 404 N GLN A 27 3.422 -4.026 6.711 1.00 0.00 N ATOM 405 CA GLN A 27 3.757 -4.246 5.317 1.00 0.00 C ATOM 406 C GLN A 27 4.241 -2.955 4.666 1.00 0.00 C ATOM 407 O GLN A 27 3.755 -1.868 4.981 1.00 0.00 O ATOM 408 CB GLN A 27 2.532 -4.775 4.580 1.00 0.00 C ATOM 409 CG GLN A 27 2.647 -6.233 4.172 1.00 0.00 C ATOM 410 CD GLN A 27 3.845 -6.499 3.281 1.00 0.00 C ATOM 411 OE1 GLN A 27 4.939 -6.796 3.763 1.00 0.00 O ATOM 412 NE2 GLN A 27 3.645 -6.393 1.972 1.00 0.00 N ATOM 0 H GLN A 27 2.512 -3.589 6.859 1.00 0.00 H new ATOM 0 HA GLN A 27 4.563 -4.978 5.260 1.00 0.00 H new ATOM 0 HB2 GLN A 27 1.655 -4.653 5.216 1.00 0.00 H new ATOM 0 HB3 GLN A 27 2.366 -4.170 3.689 1.00 0.00 H new ATOM 0 HG2 GLN A 27 2.720 -6.852 5.066 1.00 0.00 H new ATOM 0 HG3 GLN A 27 1.738 -6.533 3.651 1.00 0.00 H new ATOM 0 HE21 GLN A 27 2.722 -6.145 1.616 1.00 0.00 H new ATOM 0 HE22 GLN A 27 4.414 -6.560 1.323 1.00 0.00 H new ATOM 421 N TYR A 28 5.199 -3.084 3.755 1.00 0.00 N ATOM 422 CA TYR A 28 5.757 -1.929 3.061 1.00 0.00 C ATOM 423 C TYR A 28 5.308 -1.906 1.602 1.00 0.00 C ATOM 424 O TYR A 28 5.316 -2.935 0.925 1.00 0.00 O ATOM 425 CB TYR A 28 7.285 -1.962 3.139 1.00 0.00 C ATOM 426 CG TYR A 28 7.812 -2.365 4.499 1.00 0.00 C ATOM 427 CD1 TYR A 28 7.694 -1.516 5.592 1.00 0.00 C ATOM 428 CD2 TYR A 28 8.428 -3.598 4.689 1.00 0.00 C ATOM 429 CE1 TYR A 28 8.173 -1.884 6.836 1.00 0.00 C ATOM 430 CE2 TYR A 28 8.908 -3.971 5.929 1.00 0.00 C ATOM 431 CZ TYR A 28 8.779 -3.111 6.999 1.00 0.00 C ATOM 432 OH TYR A 28 9.258 -3.479 8.235 1.00 0.00 O ATOM 0 H TYR A 28 5.606 -3.978 3.480 1.00 0.00 H new ATOM 0 HA TYR A 28 5.392 -1.024 3.547 1.00 0.00 H new ATOM 0 HB2 TYR A 28 7.664 -2.658 2.391 1.00 0.00 H new ATOM 0 HB3 TYR A 28 7.675 -0.977 2.884 1.00 0.00 H new ATOM 0 HD1 TYR A 28 7.221 -0.553 5.468 1.00 0.00 H new ATOM 0 HD2 TYR A 28 8.532 -4.274 3.853 1.00 0.00 H new ATOM 0 HE1 TYR A 28 8.073 -1.213 7.676 1.00 0.00 H new ATOM 0 HE2 TYR A 28 9.382 -4.932 6.060 1.00 0.00 H new ATOM 0 HH TYR A 28 9.655 -4.373 8.179 1.00 0.00 H new ATOM 442 N VAL A 29 4.913 -0.728 1.119 1.00 0.00 N ATOM 443 CA VAL A 29 4.460 -0.586 -0.261 1.00 0.00 C ATOM 444 C VAL A 29 4.583 0.859 -0.758 1.00 0.00 C ATOM 445 O VAL A 29 4.025 1.782 -0.166 1.00 0.00 O ATOM 446 CB VAL A 29 2.998 -1.054 -0.408 1.00 0.00 C ATOM 447 CG1 VAL A 29 2.116 -0.401 0.646 1.00 0.00 C ATOM 448 CG2 VAL A 29 2.476 -0.758 -1.804 1.00 0.00 C ATOM 0 H VAL A 29 4.898 0.136 1.661 1.00 0.00 H new ATOM 0 HA VAL A 29 5.107 -1.215 -0.872 1.00 0.00 H new ATOM 0 HB VAL A 29 2.969 -2.133 -0.256 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.089 -0.745 0.525 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.474 -0.672 1.639 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.152 0.682 0.530 1.00 0.00 H new ATOM 0 HG21 VAL A 29 1.443 -1.096 -1.886 1.00 0.00 H new ATOM 0 HG22 VAL A 29 2.522 0.315 -1.990 1.00 0.00 H new ATOM 0 HG23 VAL A 29 3.088 -1.280 -2.540 1.00 0.00 H new ATOM 458 N GLU A 30 5.312 1.036 -1.858 1.00 0.00 N ATOM 459 CA GLU A 30 5.517 2.353 -2.459 1.00 0.00 C ATOM 460 C GLU A 30 4.294 2.809 -3.254 1.00 0.00 C ATOM 461 O GLU A 30 3.513 1.992 -3.742 1.00 0.00 O ATOM 462 CB GLU A 30 6.744 2.322 -3.371 1.00 0.00 C ATOM 463 CG GLU A 30 6.735 1.167 -4.358 1.00 0.00 C ATOM 464 CD GLU A 30 7.993 1.109 -5.201 1.00 0.00 C ATOM 465 OE1 GLU A 30 9.052 0.724 -4.662 1.00 0.00 O ATOM 466 OE2 GLU A 30 7.920 1.450 -6.400 1.00 0.00 O ATOM 0 H GLU A 30 5.775 0.276 -2.356 1.00 0.00 H new ATOM 0 HA GLU A 30 5.675 3.067 -1.650 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.801 3.261 -3.922 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.642 2.258 -2.757 1.00 0.00 H new ATOM 0 HG2 GLU A 30 6.624 0.230 -3.813 1.00 0.00 H new ATOM 0 HG3 GLU A 30 5.868 1.260 -5.012 1.00 0.00 H new ATOM 473 N VAL A 31 4.140 4.127 -3.376 1.00 0.00 N ATOM 474 CA VAL A 31 3.022 4.718 -4.107 1.00 0.00 C ATOM 475 C VAL A 31 3.359 4.880 -5.588 1.00 0.00 C ATOM 476 O VAL A 31 4.502 5.166 -5.946 1.00 0.00 O ATOM 477 CB VAL A 31 2.635 6.091 -3.521 1.00 0.00 C ATOM 478 CG1 VAL A 31 3.783 7.080 -3.664 1.00 0.00 C ATOM 479 CG2 VAL A 31 1.375 6.626 -4.187 1.00 0.00 C ATOM 0 H VAL A 31 4.782 4.810 -2.974 1.00 0.00 H new ATOM 0 HA VAL A 31 2.177 4.038 -4.004 1.00 0.00 H new ATOM 0 HB VAL A 31 2.428 5.962 -2.459 1.00 0.00 H new ATOM 0 HG11 VAL A 31 3.489 8.042 -3.244 1.00 0.00 H new ATOM 0 HG12 VAL A 31 4.656 6.703 -3.131 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.027 7.204 -4.719 1.00 0.00 H new ATOM 0 HG21 VAL A 31 1.120 7.595 -3.758 1.00 0.00 H new ATOM 0 HG22 VAL A 31 1.548 6.737 -5.257 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.553 5.929 -4.023 1.00 0.00 H new ATOM 489 N LEU A 32 2.357 4.695 -6.444 1.00 0.00 N ATOM 490 CA LEU A 32 2.550 4.817 -7.885 1.00 0.00 C ATOM 491 C LEU A 32 1.799 6.021 -8.450 1.00 0.00 C ATOM 492 O LEU A 32 2.407 7.019 -8.840 1.00 0.00 O ATOM 493 CB LEU A 32 2.086 3.542 -8.593 1.00 0.00 C ATOM 494 CG LEU A 32 2.879 2.279 -8.248 1.00 0.00 C ATOM 495 CD1 LEU A 32 2.200 1.051 -8.837 1.00 0.00 C ATOM 496 CD2 LEU A 32 4.310 2.389 -8.757 1.00 0.00 C ATOM 0 H LEU A 32 1.405 4.460 -6.164 1.00 0.00 H new ATOM 0 HA LEU A 32 3.615 4.965 -8.063 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.037 3.371 -8.349 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.141 3.703 -9.670 1.00 0.00 H new ATOM 0 HG LEU A 32 2.907 2.175 -7.163 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.775 0.160 -8.584 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.193 0.961 -8.429 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.145 1.151 -9.921 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.858 1.482 -8.502 1.00 0.00 H new ATOM 0 HD22 LEU A 32 4.302 2.516 -9.840 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.796 3.248 -8.294 1.00 0.00 H new ATOM 508 N ASP A 33 0.472 5.921 -8.493 1.00 0.00 N ATOM 509 CA ASP A 33 -0.368 6.993 -9.023 1.00 0.00 C ATOM 510 C ASP A 33 -0.137 8.308 -8.282 1.00 0.00 C ATOM 511 O ASP A 33 0.504 9.219 -8.806 1.00 0.00 O ATOM 512 CB ASP A 33 -1.844 6.603 -8.938 1.00 0.00 C ATOM 513 CG ASP A 33 -2.758 7.671 -9.505 1.00 0.00 C ATOM 514 OD1 ASP A 33 -3.141 8.587 -8.748 1.00 0.00 O ATOM 515 OD2 ASP A 33 -3.090 7.592 -10.706 1.00 0.00 O ATOM 0 H ASP A 33 -0.046 5.106 -8.166 1.00 0.00 H new ATOM 0 HA ASP A 33 -0.092 7.140 -10.067 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -2.002 5.669 -9.478 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -2.109 6.418 -7.897 1.00 0.00 H new ATOM 520 N ALA A 34 -0.670 8.400 -7.065 1.00 0.00 N ATOM 521 CA ALA A 34 -0.533 9.604 -6.251 1.00 0.00 C ATOM 522 C ALA A 34 -1.186 10.804 -6.933 1.00 0.00 C ATOM 523 O ALA A 34 -0.551 11.508 -7.718 1.00 0.00 O ATOM 524 CB ALA A 34 0.935 9.889 -5.961 1.00 0.00 C ATOM 0 H ALA A 34 -1.202 7.652 -6.621 1.00 0.00 H new ATOM 0 HA ALA A 34 -1.047 9.432 -5.305 1.00 0.00 H new ATOM 0 HB1 ALA A 34 1.018 10.790 -5.353 1.00 0.00 H new ATOM 0 HB2 ALA A 34 1.370 9.047 -5.422 1.00 0.00 H new ATOM 0 HB3 ALA A 34 1.470 10.034 -6.900 1.00 0.00 H new ATOM 530 N ALA A 35 -2.463 11.027 -6.630 1.00 0.00 N ATOM 531 CA ALA A 35 -3.207 12.140 -7.212 1.00 0.00 C ATOM 532 C ALA A 35 -4.124 12.793 -6.181 1.00 0.00 C ATOM 533 O ALA A 35 -3.877 13.916 -5.741 1.00 0.00 O ATOM 534 CB ALA A 35 -4.016 11.665 -8.409 1.00 0.00 C ATOM 0 H ALA A 35 -3.004 10.451 -5.985 1.00 0.00 H new ATOM 0 HA ALA A 35 -2.487 12.888 -7.544 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -4.566 12.505 -8.833 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -3.344 11.254 -9.162 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -4.719 10.895 -8.091 1.00 0.00 H new ATOM 540 N HIS A 36 -5.183 12.082 -5.799 1.00 0.00 N ATOM 541 CA HIS A 36 -6.137 12.597 -4.822 1.00 0.00 C ATOM 542 C HIS A 36 -5.993 11.867 -3.484 1.00 0.00 C ATOM 543 O HIS A 36 -5.915 10.640 -3.451 1.00 0.00 O ATOM 544 CB HIS A 36 -7.567 12.445 -5.346 1.00 0.00 C ATOM 545 CG HIS A 36 -8.438 13.631 -5.066 1.00 0.00 C ATOM 546 ND1 HIS A 36 -8.916 13.937 -3.809 1.00 0.00 N ATOM 547 CD2 HIS A 36 -8.916 14.594 -5.891 1.00 0.00 C ATOM 548 CE1 HIS A 36 -9.651 15.034 -3.873 1.00 0.00 C ATOM 549 NE2 HIS A 36 -9.664 15.451 -5.125 1.00 0.00 N ATOM 0 H HIS A 36 -5.401 11.150 -6.151 1.00 0.00 H new ATOM 0 HA HIS A 36 -5.925 13.655 -4.665 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -7.534 12.275 -6.422 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -8.017 11.560 -4.897 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -8.741 14.672 -6.954 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -10.154 15.508 -3.043 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -10.152 16.278 -5.468 1.00 0.00 H new ATOM 558 N PRO A 37 -5.968 12.613 -2.359 1.00 0.00 N ATOM 559 CA PRO A 37 -5.826 12.026 -1.017 1.00 0.00 C ATOM 560 C PRO A 37 -6.825 10.901 -0.759 1.00 0.00 C ATOM 561 O PRO A 37 -6.618 10.064 0.119 1.00 0.00 O ATOM 562 CB PRO A 37 -6.111 13.211 -0.095 1.00 0.00 C ATOM 563 CG PRO A 37 -5.695 14.387 -0.877 1.00 0.00 C ATOM 564 CD PRO A 37 -6.079 14.085 -2.296 1.00 0.00 C ATOM 0 HA PRO A 37 -4.847 11.569 -0.871 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -7.167 13.263 0.171 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -5.551 13.134 0.837 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -6.191 15.290 -0.521 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -4.622 14.557 -0.789 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -7.090 14.424 -2.522 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -5.412 14.572 -3.008 1.00 0.00 H new ATOM 572 N LEU A 38 -7.910 10.897 -1.528 1.00 0.00 N ATOM 573 CA LEU A 38 -8.948 9.879 -1.391 1.00 0.00 C ATOM 574 C LEU A 38 -8.355 8.471 -1.429 1.00 0.00 C ATOM 575 O LEU A 38 -8.341 7.768 -0.419 1.00 0.00 O ATOM 576 CB LEU A 38 -9.990 10.028 -2.502 1.00 0.00 C ATOM 577 CG LEU A 38 -10.604 11.424 -2.639 1.00 0.00 C ATOM 578 CD1 LEU A 38 -11.603 11.454 -3.785 1.00 0.00 C ATOM 579 CD2 LEU A 38 -11.272 11.848 -1.339 1.00 0.00 C ATOM 0 H LEU A 38 -8.094 11.589 -2.254 1.00 0.00 H new ATOM 0 HA LEU A 38 -9.427 10.024 -0.423 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -9.527 9.758 -3.451 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -10.792 9.312 -2.324 1.00 0.00 H new ATOM 0 HG LEU A 38 -9.803 12.131 -2.858 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -12.030 12.453 -3.869 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -11.097 11.196 -4.715 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -12.399 10.734 -3.593 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -11.702 12.843 -1.458 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -12.061 11.140 -1.088 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -10.532 11.866 -0.539 1.00 0.00 H new ATOM 591 N ARG A 39 -7.867 8.067 -2.599 1.00 0.00 N ATOM 592 CA ARG A 39 -7.284 6.741 -2.767 1.00 0.00 C ATOM 593 C ARG A 39 -6.159 6.760 -3.798 1.00 0.00 C ATOM 594 O ARG A 39 -6.309 7.320 -4.885 1.00 0.00 O ATOM 595 CB ARG A 39 -8.366 5.742 -3.187 1.00 0.00 C ATOM 596 CG ARG A 39 -9.141 6.173 -4.422 1.00 0.00 C ATOM 597 CD ARG A 39 -10.397 5.337 -4.616 1.00 0.00 C ATOM 598 NE ARG A 39 -10.096 3.919 -4.787 1.00 0.00 N ATOM 599 CZ ARG A 39 -10.995 3.017 -5.168 1.00 0.00 C ATOM 600 NH1 ARG A 39 -12.244 3.386 -5.419 1.00 0.00 N ATOM 601 NH2 ARG A 39 -10.647 1.745 -5.300 1.00 0.00 N ATOM 0 H ARG A 39 -7.864 8.639 -3.443 1.00 0.00 H new ATOM 0 HA ARG A 39 -6.861 6.432 -1.811 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -7.902 4.774 -3.378 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -9.063 5.604 -2.360 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -9.414 7.225 -4.332 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -8.504 6.083 -5.302 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -11.053 5.466 -3.755 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -10.941 5.699 -5.489 1.00 0.00 H new ATOM 0 HE ARG A 39 -9.144 3.603 -4.604 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -12.517 4.364 -5.320 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -12.932 2.692 -5.711 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -9.688 1.456 -5.109 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -11.339 1.055 -5.592 1.00 0.00 H new ATOM 615 N TRP A 40 -5.031 6.145 -3.451 1.00 0.00 N ATOM 616 CA TRP A 40 -3.879 6.094 -4.347 1.00 0.00 C ATOM 617 C TRP A 40 -3.573 4.662 -4.774 1.00 0.00 C ATOM 618 O TRP A 40 -3.841 3.712 -4.039 1.00 0.00 O ATOM 619 CB TRP A 40 -2.646 6.696 -3.669 1.00 0.00 C ATOM 620 CG TRP A 40 -2.763 8.164 -3.388 1.00 0.00 C ATOM 621 CD1 TRP A 40 -3.406 9.098 -4.147 1.00 0.00 C ATOM 622 CD2 TRP A 40 -2.210 8.868 -2.269 1.00 0.00 C ATOM 623 NE1 TRP A 40 -3.290 10.338 -3.569 1.00 0.00 N ATOM 624 CE2 TRP A 40 -2.561 10.223 -2.414 1.00 0.00 C ATOM 625 CE3 TRP A 40 -1.454 8.483 -1.159 1.00 0.00 C ATOM 626 CZ2 TRP A 40 -2.181 11.194 -1.490 1.00 0.00 C ATOM 627 CZ3 TRP A 40 -1.078 9.447 -0.242 1.00 0.00 C ATOM 628 CH2 TRP A 40 -1.442 10.788 -0.413 1.00 0.00 C ATOM 0 H TRP A 40 -4.890 5.675 -2.557 1.00 0.00 H new ATOM 0 HA TRP A 40 -4.127 6.677 -5.234 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -2.466 6.170 -2.732 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -1.776 6.526 -4.303 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -3.930 8.892 -5.069 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -3.682 11.204 -3.939 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -1.168 7.451 -1.020 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -2.460 12.229 -1.619 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -0.494 9.161 0.620 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -1.133 11.517 0.321 1.00 0.00 H new ATOM 639 N LEU A 41 -3.010 4.520 -5.970 1.00 0.00 N ATOM 640 CA LEU A 41 -2.645 3.210 -6.498 1.00 0.00 C ATOM 641 C LEU A 41 -1.243 2.832 -6.034 1.00 0.00 C ATOM 642 O LEU A 41 -0.269 3.510 -6.364 1.00 0.00 O ATOM 643 CB LEU A 41 -2.712 3.214 -8.028 1.00 0.00 C ATOM 644 CG LEU A 41 -2.091 1.996 -8.717 1.00 0.00 C ATOM 645 CD1 LEU A 41 -2.819 0.721 -8.319 1.00 0.00 C ATOM 646 CD2 LEU A 41 -2.112 2.175 -10.228 1.00 0.00 C ATOM 0 H LEU A 41 -2.796 5.299 -6.593 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.353 2.472 -6.122 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.757 3.286 -8.329 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -2.212 4.111 -8.394 1.00 0.00 H new ATOM 0 HG LEU A 41 -1.054 1.909 -8.392 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.361 -0.131 -8.821 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.752 0.586 -7.239 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.867 0.794 -8.611 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.667 1.301 -10.704 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.142 2.288 -10.567 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.542 3.064 -10.497 1.00 0.00 H new ATOM 658 N VAL A 42 -1.144 1.749 -5.271 1.00 0.00 N ATOM 659 CA VAL A 42 0.143 1.301 -4.754 1.00 0.00 C ATOM 660 C VAL A 42 0.418 -0.160 -5.105 1.00 0.00 C ATOM 661 O VAL A 42 -0.507 -0.962 -5.239 1.00 0.00 O ATOM 662 CB VAL A 42 0.214 1.478 -3.224 1.00 0.00 C ATOM 663 CG1 VAL A 42 -0.077 2.920 -2.838 1.00 0.00 C ATOM 664 CG2 VAL A 42 -0.751 0.529 -2.526 1.00 0.00 C ATOM 0 H VAL A 42 -1.936 1.167 -4.998 1.00 0.00 H new ATOM 0 HA VAL A 42 0.905 1.921 -5.227 1.00 0.00 H new ATOM 0 HB VAL A 42 1.225 1.234 -2.899 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -0.022 3.025 -1.754 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.658 3.577 -3.304 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.076 3.193 -3.179 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.684 0.671 -1.447 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.769 0.736 -2.857 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -0.492 -0.500 -2.773 1.00 0.00 H new ATOM 674 N ARG A 43 1.698 -0.494 -5.249 1.00 0.00 N ATOM 675 CA ARG A 43 2.110 -1.855 -5.580 1.00 0.00 C ATOM 676 C ARG A 43 3.102 -2.382 -4.548 1.00 0.00 C ATOM 677 O ARG A 43 4.220 -1.877 -4.437 1.00 0.00 O ATOM 678 CB ARG A 43 2.741 -1.900 -6.974 1.00 0.00 C ATOM 679 CG ARG A 43 3.240 -3.280 -7.372 1.00 0.00 C ATOM 680 CD ARG A 43 3.919 -3.257 -8.731 1.00 0.00 C ATOM 681 NE ARG A 43 2.988 -2.923 -9.805 1.00 0.00 N ATOM 682 CZ ARG A 43 2.875 -3.622 -10.931 1.00 0.00 C ATOM 683 NH1 ARG A 43 3.628 -4.697 -11.125 1.00 0.00 N ATOM 684 NH2 ARG A 43 2.010 -3.249 -11.862 1.00 0.00 N ATOM 0 H ARG A 43 2.471 0.163 -5.141 1.00 0.00 H new ATOM 0 HA ARG A 43 1.223 -2.488 -5.572 1.00 0.00 H new ATOM 0 HB2 ARG A 43 2.008 -1.563 -7.707 1.00 0.00 H new ATOM 0 HB3 ARG A 43 3.574 -1.197 -7.010 1.00 0.00 H new ATOM 0 HG2 ARG A 43 3.940 -3.645 -6.621 1.00 0.00 H new ATOM 0 HG3 ARG A 43 2.403 -3.978 -7.394 1.00 0.00 H new ATOM 0 HD2 ARG A 43 4.732 -2.531 -8.717 1.00 0.00 H new ATOM 0 HD3 ARG A 43 4.366 -4.231 -8.929 1.00 0.00 H new ATOM 0 HE ARG A 43 2.389 -2.106 -9.685 1.00 0.00 H new ATOM 0 HH11 ARG A 43 4.295 -4.988 -10.410 1.00 0.00 H new ATOM 0 HH12 ARG A 43 3.540 -5.232 -11.989 1.00 0.00 H new ATOM 0 HH21 ARG A 43 1.428 -2.424 -11.717 1.00 0.00 H new ATOM 0 HH22 ARG A 43 1.925 -3.787 -12.725 1.00 0.00 H new ATOM 698 N THR A 44 2.688 -3.395 -3.793 1.00 0.00 N ATOM 699 CA THR A 44 3.544 -3.981 -2.767 1.00 0.00 C ATOM 700 C THR A 44 4.799 -4.594 -3.380 1.00 0.00 C ATOM 701 O THR A 44 4.750 -5.188 -4.458 1.00 0.00 O ATOM 702 CB THR A 44 2.802 -5.060 -1.958 1.00 0.00 C ATOM 703 OG1 THR A 44 2.464 -6.165 -2.806 1.00 0.00 O ATOM 704 CG2 THR A 44 1.536 -4.492 -1.334 1.00 0.00 C ATOM 0 H THR A 44 1.767 -3.826 -3.872 1.00 0.00 H new ATOM 0 HA THR A 44 3.828 -3.170 -2.097 1.00 0.00 H new ATOM 0 HB THR A 44 3.462 -5.402 -1.161 1.00 0.00 H new ATOM 0 HG1 THR A 44 1.844 -5.865 -3.503 1.00 0.00 H new ATOM 0 HG21 THR A 44 1.028 -5.272 -0.767 1.00 0.00 H new ATOM 0 HG22 THR A 44 1.796 -3.670 -0.667 1.00 0.00 H new ATOM 0 HG23 THR A 44 0.875 -4.126 -2.120 1.00 0.00 H new ATOM 712 N LYS A 45 5.921 -4.447 -2.683 1.00 0.00 N ATOM 713 CA LYS A 45 7.193 -4.979 -3.156 1.00 0.00 C ATOM 714 C LYS A 45 7.233 -6.505 -3.034 1.00 0.00 C ATOM 715 O LYS A 45 6.917 -7.054 -1.979 1.00 0.00 O ATOM 716 CB LYS A 45 8.347 -4.367 -2.360 1.00 0.00 C ATOM 717 CG LYS A 45 8.442 -2.855 -2.490 1.00 0.00 C ATOM 718 CD LYS A 45 9.532 -2.285 -1.596 1.00 0.00 C ATOM 719 CE LYS A 45 10.917 -2.729 -2.043 1.00 0.00 C ATOM 720 NZ LYS A 45 11.239 -2.249 -3.414 1.00 0.00 N ATOM 0 H LYS A 45 5.975 -3.963 -1.787 1.00 0.00 H new ATOM 0 HA LYS A 45 7.298 -4.716 -4.208 1.00 0.00 H new ATOM 0 HB2 LYS A 45 8.229 -4.626 -1.308 1.00 0.00 H new ATOM 0 HB3 LYS A 45 9.284 -4.812 -2.695 1.00 0.00 H new ATOM 0 HG2 LYS A 45 8.646 -2.590 -3.528 1.00 0.00 H new ATOM 0 HG3 LYS A 45 7.484 -2.406 -2.229 1.00 0.00 H new ATOM 0 HD2 LYS A 45 9.478 -1.196 -1.606 1.00 0.00 H new ATOM 0 HD3 LYS A 45 9.362 -2.603 -0.567 1.00 0.00 H new ATOM 0 HE2 LYS A 45 11.662 -2.353 -1.342 1.00 0.00 H new ATOM 0 HE3 LYS A 45 10.975 -3.817 -2.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 12.260 -2.346 -3.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 10.716 -2.816 -4.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 10.966 -1.250 -3.505 1.00 0.00 H new ATOM 734 N PRO A 46 7.625 -7.212 -4.114 1.00 0.00 N ATOM 735 CA PRO A 46 7.707 -8.676 -4.108 1.00 0.00 C ATOM 736 C PRO A 46 8.923 -9.179 -3.338 1.00 0.00 C ATOM 737 O PRO A 46 9.838 -8.411 -3.037 1.00 0.00 O ATOM 738 CB PRO A 46 7.832 -9.028 -5.590 1.00 0.00 C ATOM 739 CG PRO A 46 8.485 -7.840 -6.207 1.00 0.00 C ATOM 740 CD PRO A 46 8.012 -6.645 -5.422 1.00 0.00 C ATOM 0 HA PRO A 46 6.847 -9.134 -3.619 1.00 0.00 H new ATOM 0 HB2 PRO A 46 8.430 -9.928 -5.734 1.00 0.00 H new ATOM 0 HB3 PRO A 46 6.856 -9.219 -6.035 1.00 0.00 H new ATOM 0 HG2 PRO A 46 9.571 -7.928 -6.166 1.00 0.00 H new ATOM 0 HG3 PRO A 46 8.212 -7.748 -7.258 1.00 0.00 H new ATOM 0 HD2 PRO A 46 8.799 -5.898 -5.317 1.00 0.00 H new ATOM 0 HD3 PRO A 46 7.170 -6.154 -5.910 1.00 0.00 H new ATOM 806 N PRO A 51 4.587 -12.962 -6.523 1.00 0.00 N ATOM 807 CA PRO A 51 4.141 -12.026 -7.561 1.00 0.00 C ATOM 808 C PRO A 51 3.717 -10.682 -6.978 1.00 0.00 C ATOM 809 O PRO A 51 3.094 -10.623 -5.918 1.00 0.00 O ATOM 810 CB PRO A 51 2.943 -12.738 -8.200 1.00 0.00 C ATOM 811 CG PRO A 51 2.509 -13.743 -7.190 1.00 0.00 C ATOM 812 CD PRO A 51 3.763 -14.183 -6.502 1.00 0.00 C ATOM 0 HA PRO A 51 4.936 -11.793 -8.269 1.00 0.00 H new ATOM 0 HB2 PRO A 51 2.141 -12.035 -8.427 1.00 0.00 H new ATOM 0 HB3 PRO A 51 3.223 -13.217 -9.138 1.00 0.00 H new ATOM 0 HG2 PRO A 51 1.804 -13.308 -6.481 1.00 0.00 H new ATOM 0 HG3 PRO A 51 2.005 -14.585 -7.665 1.00 0.00 H new ATOM 0 HD2 PRO A 51 3.569 -14.524 -5.485 1.00 0.00 H new ATOM 0 HD3 PRO A 51 4.246 -15.007 -7.027 1.00 0.00 H new ATOM 820 N SER A 52 4.057 -9.607 -7.681 1.00 0.00 N ATOM 821 CA SER A 52 3.716 -8.260 -7.234 1.00 0.00 C ATOM 822 C SER A 52 2.239 -7.962 -7.476 1.00 0.00 C ATOM 823 O SER A 52 1.736 -8.122 -8.589 1.00 0.00 O ATOM 824 CB SER A 52 4.583 -7.225 -7.954 1.00 0.00 C ATOM 825 OG SER A 52 4.397 -7.288 -9.357 1.00 0.00 O ATOM 0 H SER A 52 4.568 -9.642 -8.563 1.00 0.00 H new ATOM 0 HA SER A 52 3.908 -8.201 -6.163 1.00 0.00 H new ATOM 0 HB2 SER A 52 4.334 -6.226 -7.596 1.00 0.00 H new ATOM 0 HB3 SER A 52 5.633 -7.397 -7.716 1.00 0.00 H new ATOM 0 HG SER A 52 3.522 -7.684 -9.554 1.00 0.00 H new ATOM 831 N ARG A 53 1.552 -7.528 -6.426 1.00 0.00 N ATOM 832 CA ARG A 53 0.134 -7.199 -6.519 1.00 0.00 C ATOM 833 C ARG A 53 -0.109 -5.746 -6.126 1.00 0.00 C ATOM 834 O ARG A 53 0.389 -5.279 -5.102 1.00 0.00 O ATOM 835 CB ARG A 53 -0.688 -8.128 -5.627 1.00 0.00 C ATOM 836 CG ARG A 53 -0.557 -9.595 -6.001 1.00 0.00 C ATOM 837 CD ARG A 53 -1.682 -10.420 -5.404 1.00 0.00 C ATOM 838 NE ARG A 53 -1.507 -11.848 -5.655 1.00 0.00 N ATOM 839 CZ ARG A 53 -2.481 -12.745 -5.538 1.00 0.00 C ATOM 840 NH1 ARG A 53 -3.700 -12.362 -5.179 1.00 0.00 N ATOM 841 NH2 ARG A 53 -2.239 -14.025 -5.780 1.00 0.00 N ATOM 0 H ARG A 53 1.955 -7.395 -5.498 1.00 0.00 H new ATOM 0 HA ARG A 53 -0.180 -7.335 -7.554 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -0.376 -7.995 -4.591 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -1.737 -7.839 -5.683 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -0.564 -9.698 -7.086 1.00 0.00 H new ATOM 0 HG3 ARG A 53 0.402 -9.977 -5.651 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -1.729 -10.244 -4.329 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -2.633 -10.092 -5.823 1.00 0.00 H new ATOM 0 HE ARG A 53 -0.583 -12.176 -5.937 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -3.891 -11.378 -4.992 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -4.446 -13.052 -5.090 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -1.304 -14.324 -6.057 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -2.988 -14.712 -5.690 1.00 0.00 H new ATOM 855 N GLN A 54 -0.877 -5.035 -6.946 1.00 0.00 N ATOM 856 CA GLN A 54 -1.179 -3.632 -6.683 1.00 0.00 C ATOM 857 C GLN A 54 -2.672 -3.415 -6.457 1.00 0.00 C ATOM 858 O GLN A 54 -3.507 -3.930 -7.202 1.00 0.00 O ATOM 859 CB GLN A 54 -0.690 -2.753 -7.838 1.00 0.00 C ATOM 860 CG GLN A 54 -0.489 -3.505 -9.144 1.00 0.00 C ATOM 861 CD GLN A 54 -1.797 -3.947 -9.773 1.00 0.00 C ATOM 862 OE1 GLN A 54 -2.295 -5.037 -9.496 1.00 0.00 O ATOM 863 NE2 GLN A 54 -2.358 -3.098 -10.627 1.00 0.00 N ATOM 0 H GLN A 54 -1.301 -5.406 -7.796 1.00 0.00 H new ATOM 0 HA GLN A 54 -0.654 -3.347 -5.771 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -1.409 -1.950 -8.000 1.00 0.00 H new ATOM 0 HB3 GLN A 54 0.252 -2.285 -7.551 1.00 0.00 H new ATOM 0 HG2 GLN A 54 0.050 -2.868 -9.846 1.00 0.00 H new ATOM 0 HG3 GLN A 54 0.136 -4.380 -8.962 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -1.909 -2.204 -10.827 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -3.238 -3.340 -11.083 1.00 0.00 H new ATOM 872 N GLY A 55 -2.996 -2.648 -5.420 1.00 0.00 N ATOM 873 CA GLY A 55 -4.383 -2.363 -5.103 1.00 0.00 C ATOM 874 C GLY A 55 -4.556 -1.010 -4.441 1.00 0.00 C ATOM 875 O GLY A 55 -3.627 -0.494 -3.819 1.00 0.00 O ATOM 0 H GLY A 55 -2.318 -2.217 -4.791 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -4.976 -2.396 -6.017 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -4.770 -3.140 -4.443 1.00 0.00 H new ATOM 879 N TRP A 56 -5.747 -0.434 -4.575 1.00 0.00 N ATOM 880 CA TRP A 56 -6.039 0.868 -3.985 1.00 0.00 C ATOM 881 C TRP A 56 -6.248 0.750 -2.479 1.00 0.00 C ATOM 882 O TRP A 56 -7.109 -0.002 -2.020 1.00 0.00 O ATOM 883 CB TRP A 56 -7.281 1.480 -4.633 1.00 0.00 C ATOM 884 CG TRP A 56 -7.172 1.607 -6.122 1.00 0.00 C ATOM 885 CD1 TRP A 56 -7.420 0.633 -7.046 1.00 0.00 C ATOM 886 CD2 TRP A 56 -6.787 2.772 -6.860 1.00 0.00 C ATOM 887 NE1 TRP A 56 -7.212 1.121 -8.313 1.00 0.00 N ATOM 888 CE2 TRP A 56 -6.823 2.431 -8.225 1.00 0.00 C ATOM 889 CE3 TRP A 56 -6.415 4.071 -6.499 1.00 0.00 C ATOM 890 CZ2 TRP A 56 -6.503 3.342 -9.229 1.00 0.00 C ATOM 891 CZ3 TRP A 56 -6.098 4.974 -7.497 1.00 0.00 C ATOM 892 CH2 TRP A 56 -6.143 4.605 -8.848 1.00 0.00 C ATOM 0 H TRP A 56 -6.526 -0.849 -5.087 1.00 0.00 H new ATOM 0 HA TRP A 56 -5.183 1.518 -4.167 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -8.149 0.866 -4.390 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -7.458 2.466 -4.203 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -7.734 -0.374 -6.815 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -7.328 0.594 -9.178 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -6.376 4.363 -5.460 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -6.538 3.061 -10.271 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -5.811 5.981 -7.231 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -5.888 5.333 -9.604 1.00 0.00 H new ATOM 903 N VAL A 57 -5.457 1.496 -1.716 1.00 0.00 N ATOM 904 CA VAL A 57 -5.558 1.478 -0.262 1.00 0.00 C ATOM 905 C VAL A 57 -5.822 2.875 0.289 1.00 0.00 C ATOM 906 O VAL A 57 -5.647 3.872 -0.411 1.00 0.00 O ATOM 907 CB VAL A 57 -4.278 0.912 0.385 1.00 0.00 C ATOM 908 CG1 VAL A 57 -4.010 -0.500 -0.111 1.00 0.00 C ATOM 909 CG2 VAL A 57 -3.087 1.818 0.103 1.00 0.00 C ATOM 0 H VAL A 57 -4.738 2.121 -2.081 1.00 0.00 H new ATOM 0 HA VAL A 57 -6.397 0.829 -0.012 1.00 0.00 H new ATOM 0 HB VAL A 57 -4.427 0.873 1.464 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.103 -0.884 0.356 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -4.851 -1.143 0.148 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -3.883 -0.487 -1.194 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.194 1.401 0.568 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -2.934 1.893 -0.974 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -3.279 2.810 0.512 1.00 0.00 H new ATOM 919 N SER A 58 -6.245 2.936 1.547 1.00 0.00 N ATOM 920 CA SER A 58 -6.535 4.209 2.197 1.00 0.00 C ATOM 921 C SER A 58 -5.279 4.782 2.861 1.00 0.00 C ATOM 922 O SER A 58 -4.798 4.238 3.856 1.00 0.00 O ATOM 923 CB SER A 58 -7.640 4.024 3.239 1.00 0.00 C ATOM 924 OG SER A 58 -7.324 2.977 4.139 1.00 0.00 O ATOM 0 H SER A 58 -6.395 2.118 2.137 1.00 0.00 H new ATOM 0 HA SER A 58 -6.872 4.914 1.437 1.00 0.00 H new ATOM 0 HB2 SER A 58 -7.781 4.953 3.792 1.00 0.00 H new ATOM 0 HB3 SER A 58 -8.583 3.805 2.738 1.00 0.00 H new ATOM 0 HG SER A 58 -6.375 3.028 4.380 1.00 0.00 H new ATOM 930 N PRO A 59 -4.729 5.891 2.321 1.00 0.00 N ATOM 931 CA PRO A 59 -3.522 6.522 2.872 1.00 0.00 C ATOM 932 C PRO A 59 -3.764 7.181 4.225 1.00 0.00 C ATOM 933 O PRO A 59 -2.825 7.629 4.883 1.00 0.00 O ATOM 934 CB PRO A 59 -3.162 7.579 1.826 1.00 0.00 C ATOM 935 CG PRO A 59 -4.447 7.892 1.143 1.00 0.00 C ATOM 936 CD PRO A 59 -5.237 6.613 1.137 1.00 0.00 C ATOM 0 HA PRO A 59 -2.735 5.789 3.053 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -2.735 8.467 2.292 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -2.421 7.202 1.121 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -4.986 8.681 1.668 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -4.272 8.247 0.127 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -6.308 6.802 1.211 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -5.076 6.045 0.221 1.00 0.00 H new ATOM 944 N ALA A 60 -5.027 7.239 4.636 1.00 0.00 N ATOM 945 CA ALA A 60 -5.384 7.847 5.914 1.00 0.00 C ATOM 946 C ALA A 60 -4.861 7.018 7.081 1.00 0.00 C ATOM 947 O ALA A 60 -4.829 7.483 8.221 1.00 0.00 O ATOM 948 CB ALA A 60 -6.892 8.015 6.015 1.00 0.00 C ATOM 0 H ALA A 60 -5.818 6.874 4.105 1.00 0.00 H new ATOM 0 HA ALA A 60 -4.917 8.830 5.964 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -7.144 8.470 6.973 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -7.242 8.656 5.206 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -7.373 7.040 5.938 1.00 0.00 H new ATOM 954 N TYR A 61 -4.451 5.788 6.789 1.00 0.00 N ATOM 955 CA TYR A 61 -3.924 4.890 7.812 1.00 0.00 C ATOM 956 C TYR A 61 -2.463 4.554 7.534 1.00 0.00 C ATOM 957 O TYR A 61 -1.894 3.652 8.149 1.00 0.00 O ATOM 958 CB TYR A 61 -4.756 3.607 7.867 1.00 0.00 C ATOM 959 CG TYR A 61 -6.219 3.844 8.168 1.00 0.00 C ATOM 960 CD1 TYR A 61 -6.663 4.000 9.474 1.00 0.00 C ATOM 961 CD2 TYR A 61 -7.155 3.911 7.144 1.00 0.00 C ATOM 962 CE1 TYR A 61 -7.999 4.218 9.752 1.00 0.00 C ATOM 963 CE2 TYR A 61 -8.493 4.129 7.414 1.00 0.00 C ATOM 964 CZ TYR A 61 -8.910 4.281 8.718 1.00 0.00 C ATOM 965 OH TYR A 61 -10.241 4.499 8.990 1.00 0.00 O ATOM 0 H TYR A 61 -4.473 5.389 5.851 1.00 0.00 H new ATOM 0 HA TYR A 61 -3.985 5.395 8.776 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -4.670 3.087 6.913 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -4.340 2.947 8.628 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -5.953 3.950 10.286 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -6.832 3.791 6.120 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -8.328 4.338 10.774 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -9.208 4.180 6.606 1.00 0.00 H new ATOM 0 HH TYR A 61 -10.748 4.517 8.151 1.00 0.00 H new ATOM 975 N LEU A 62 -1.862 5.288 6.604 1.00 0.00 N ATOM 976 CA LEU A 62 -0.466 5.073 6.236 1.00 0.00 C ATOM 977 C LEU A 62 0.410 6.234 6.694 1.00 0.00 C ATOM 978 O LEU A 62 -0.045 7.375 6.780 1.00 0.00 O ATOM 979 CB LEU A 62 -0.344 4.898 4.718 1.00 0.00 C ATOM 980 CG LEU A 62 -0.337 3.450 4.219 1.00 0.00 C ATOM 981 CD1 LEU A 62 -1.491 2.659 4.822 1.00 0.00 C ATOM 982 CD2 LEU A 62 -0.410 3.414 2.701 1.00 0.00 C ATOM 0 H LEU A 62 -2.321 6.040 6.089 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.121 4.167 6.735 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.171 5.424 4.242 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.575 5.382 4.387 1.00 0.00 H new ATOM 0 HG LEU A 62 0.596 2.986 4.538 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.463 1.634 4.451 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.401 2.654 5.908 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.436 3.121 4.539 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.404 2.378 2.361 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.328 3.900 2.369 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.449 3.938 2.283 1.00 0.00 H new ATOM 994 N ASP A 63 1.670 5.930 6.990 1.00 0.00 N ATOM 995 CA ASP A 63 2.624 6.943 7.433 1.00 0.00 C ATOM 996 C ASP A 63 3.769 7.069 6.434 1.00 0.00 C ATOM 997 O ASP A 63 4.197 6.079 5.841 1.00 0.00 O ATOM 998 CB ASP A 63 3.175 6.587 8.815 1.00 0.00 C ATOM 999 CG ASP A 63 2.080 6.423 9.852 1.00 0.00 C ATOM 1000 OD1 ASP A 63 1.540 5.302 9.972 1.00 0.00 O ATOM 1001 OD2 ASP A 63 1.763 7.414 10.543 1.00 0.00 O ATOM 0 H ASP A 63 2.056 4.988 6.931 1.00 0.00 H new ATOM 0 HA ASP A 63 2.105 7.899 7.496 1.00 0.00 H new ATOM 0 HB2 ASP A 63 3.748 5.662 8.747 1.00 0.00 H new ATOM 0 HB3 ASP A 63 3.865 7.366 9.140 1.00 0.00 H new ATOM 1006 N ARG A 64 4.264 8.289 6.249 1.00 0.00 N ATOM 1007 CA ARG A 64 5.358 8.529 5.314 1.00 0.00 C ATOM 1008 C ARG A 64 6.629 7.810 5.760 1.00 0.00 C ATOM 1009 O ARG A 64 7.016 7.875 6.927 1.00 0.00 O ATOM 1010 CB ARG A 64 5.626 10.030 5.158 1.00 0.00 C ATOM 1011 CG ARG A 64 6.062 10.724 6.441 1.00 0.00 C ATOM 1012 CD ARG A 64 4.872 11.230 7.241 1.00 0.00 C ATOM 1013 NE ARG A 64 5.289 11.954 8.439 1.00 0.00 N ATOM 1014 CZ ARG A 64 4.490 12.765 9.128 1.00 0.00 C ATOM 1015 NH1 ARG A 64 3.237 12.958 8.739 1.00 0.00 N ATOM 1016 NH2 ARG A 64 4.947 13.386 10.208 1.00 0.00 N ATOM 0 H ARG A 64 3.927 9.122 6.731 1.00 0.00 H new ATOM 0 HA ARG A 64 5.058 8.128 4.346 1.00 0.00 H new ATOM 0 HB2 ARG A 64 6.397 10.173 4.401 1.00 0.00 H new ATOM 0 HB3 ARG A 64 4.722 10.512 4.787 1.00 0.00 H new ATOM 0 HG2 ARG A 64 6.642 10.031 7.051 1.00 0.00 H new ATOM 0 HG3 ARG A 64 6.718 11.560 6.197 1.00 0.00 H new ATOM 0 HD2 ARG A 64 4.265 11.884 6.615 1.00 0.00 H new ATOM 0 HD3 ARG A 64 4.242 10.388 7.527 1.00 0.00 H new ATOM 0 HE ARG A 64 6.247 11.831 8.766 1.00 0.00 H new ATOM 0 HH11 ARG A 64 2.882 12.484 7.909 1.00 0.00 H new ATOM 0 HH12 ARG A 64 2.628 13.581 9.270 1.00 0.00 H new ATOM 0 HH21 ARG A 64 5.911 13.242 10.510 1.00 0.00 H new ATOM 0 HH22 ARG A 64 4.335 14.008 10.736 1.00 0.00 H new ATOM 1030 N ARG A 65 7.265 7.115 4.823 1.00 0.00 N ATOM 1031 CA ARG A 65 8.493 6.382 5.110 1.00 0.00 C ATOM 1032 C ARG A 65 9.455 6.452 3.928 1.00 0.00 C ATOM 1033 O ARG A 65 9.248 5.798 2.906 1.00 0.00 O ATOM 1034 CB ARG A 65 8.176 4.921 5.441 1.00 0.00 C ATOM 1035 CG ARG A 65 7.970 4.660 6.925 1.00 0.00 C ATOM 1036 CD ARG A 65 9.269 4.806 7.700 1.00 0.00 C ATOM 1037 NE ARG A 65 9.133 4.375 9.088 1.00 0.00 N ATOM 1038 CZ ARG A 65 10.097 4.500 9.996 1.00 0.00 C ATOM 1039 NH1 ARG A 65 11.257 5.053 9.665 1.00 0.00 N ATOM 1040 NH2 ARG A 65 9.902 4.075 11.237 1.00 0.00 N ATOM 0 H ARG A 65 6.949 7.044 3.856 1.00 0.00 H new ATOM 0 HA ARG A 65 8.971 6.846 5.973 1.00 0.00 H new ATOM 0 HB2 ARG A 65 7.278 4.622 4.901 1.00 0.00 H new ATOM 0 HB3 ARG A 65 8.989 4.291 5.080 1.00 0.00 H new ATOM 0 HG2 ARG A 65 7.230 5.356 7.319 1.00 0.00 H new ATOM 0 HG3 ARG A 65 7.571 3.656 7.067 1.00 0.00 H new ATOM 0 HD2 ARG A 65 10.048 4.219 7.214 1.00 0.00 H new ATOM 0 HD3 ARG A 65 9.591 5.847 7.674 1.00 0.00 H new ATOM 0 HE ARG A 65 8.250 3.955 9.378 1.00 0.00 H new ATOM 0 HH11 ARG A 65 11.411 5.383 8.712 1.00 0.00 H new ATOM 0 HH12 ARG A 65 11.995 5.148 10.363 1.00 0.00 H new ATOM 0 HH21 ARG A 65 9.011 3.651 11.497 1.00 0.00 H new ATOM 0 HH22 ARG A 65 10.643 4.172 11.932 1.00 0.00 H new ATOM 1054 N LEU A 66 10.507 7.251 4.076 1.00 0.00 N ATOM 1055 CA LEU A 66 11.500 7.410 3.020 1.00 0.00 C ATOM 1056 C LEU A 66 12.778 6.652 3.358 1.00 0.00 C ATOM 1057 O LEU A 66 13.222 6.651 4.507 1.00 0.00 O ATOM 1058 CB LEU A 66 11.820 8.891 2.798 1.00 0.00 C ATOM 1059 CG LEU A 66 10.689 9.726 2.191 1.00 0.00 C ATOM 1060 CD1 LEU A 66 9.580 9.957 3.208 1.00 0.00 C ATOM 1061 CD2 LEU A 66 11.229 11.051 1.678 1.00 0.00 C ATOM 0 H LEU A 66 10.694 7.798 4.916 1.00 0.00 H new ATOM 0 HA LEU A 66 11.080 6.997 2.103 1.00 0.00 H new ATOM 0 HB2 LEU A 66 12.100 9.332 3.755 1.00 0.00 H new ATOM 0 HB3 LEU A 66 12.691 8.963 2.147 1.00 0.00 H new ATOM 0 HG LEU A 66 10.267 9.174 1.351 1.00 0.00 H new ATOM 0 HD11 LEU A 66 8.788 10.552 2.754 1.00 0.00 H new ATOM 0 HD12 LEU A 66 9.174 8.997 3.528 1.00 0.00 H new ATOM 0 HD13 LEU A 66 9.983 10.487 4.071 1.00 0.00 H new ATOM 0 HD21 LEU A 66 10.414 11.634 1.249 1.00 0.00 H new ATOM 0 HD22 LEU A 66 11.677 11.605 2.503 1.00 0.00 H new ATOM 0 HD23 LEU A 66 11.983 10.865 0.914 1.00 0.00 H new