USER MOD reduce.3.24.130724 H: found=0, std=0, add=427, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 426 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 LYS N :NH3+ 155:sc= 0 (180deg=-0.00752) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.271) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= -2.25! USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -12.1! C(o=-12!,f=-9!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 97:sc= 0.904 USER MOD Single : A 29 SER OG : rot 83:sc= 0.0401 USER MOD Single : A 30 ASN : amide:sc= -2.33! C(o=-2.3!,f=-1.7!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= -1.09! K(o=-1.1!,f=-0.2) USER MOD Single : A 41 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 42 SER OG : rot 80:sc= 0.16 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= -0.05 (180deg=-0.05) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -17.254 -2.307 5.770 1.00 0.00 N ATOM 2 CA LYS A 1 -16.662 -0.952 5.583 1.00 0.00 C ATOM 3 C LYS A 1 -17.378 -0.243 4.444 1.00 0.00 C ATOM 4 O LYS A 1 -17.442 -0.754 3.324 1.00 0.00 O ATOM 5 CB LYS A 1 -15.169 -1.094 5.262 1.00 0.00 C ATOM 6 CG LYS A 1 -14.364 -1.321 6.556 1.00 0.00 C ATOM 7 CD LYS A 1 -14.007 0.028 7.193 1.00 0.00 C ATOM 8 CE LYS A 1 -13.190 -0.208 8.458 1.00 0.00 C ATOM 9 NZ LYS A 1 -12.841 1.103 9.071 1.00 0.00 N ATOM 0 H1 LYS A 1 -16.552 -2.935 6.210 1.00 0.00 H new ATOM 0 H2 LYS A 1 -18.091 -2.239 6.384 1.00 0.00 H new ATOM 0 H3 LYS A 1 -17.533 -2.694 4.846 1.00 0.00 H new ATOM 0 HA LYS A 1 -16.777 -0.366 6.495 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -15.015 -1.929 4.578 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -14.812 -0.197 4.756 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -14.946 -1.921 7.256 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -13.455 -1.881 6.336 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -13.439 0.636 6.489 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -14.915 0.581 7.432 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -13.759 -0.813 9.164 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -12.283 -0.764 8.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -12.283 0.945 9.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -12.283 1.664 8.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -13.713 1.617 9.311 1.00 0.00 H new ATOM 25 N ASP A 2 -17.909 0.942 4.731 1.00 0.00 N ATOM 26 CA ASP A 2 -18.614 1.725 3.722 1.00 0.00 C ATOM 27 C ASP A 2 -17.698 2.804 3.159 1.00 0.00 C ATOM 28 O ASP A 2 -18.124 3.634 2.355 1.00 0.00 O ATOM 29 CB ASP A 2 -19.857 2.368 4.338 1.00 0.00 C ATOM 30 CG ASP A 2 -20.849 1.286 4.754 1.00 0.00 C ATOM 31 OD1 ASP A 2 -20.714 0.170 4.278 1.00 0.00 O ATOM 32 OD2 ASP A 2 -21.728 1.588 5.543 1.00 0.00 O ATOM 0 H ASP A 2 -17.865 1.380 5.651 1.00 0.00 H new ATOM 0 HA ASP A 2 -18.918 1.063 2.911 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -19.576 2.968 5.203 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -20.322 3.043 3.620 1.00 0.00 H new ATOM 37 N ILE A 3 -16.441 2.788 3.589 1.00 0.00 N ATOM 38 CA ILE A 3 -15.473 3.773 3.122 1.00 0.00 C ATOM 39 C ILE A 3 -15.455 3.823 1.595 1.00 0.00 C ATOM 40 O ILE A 3 -15.563 2.794 0.927 1.00 0.00 O ATOM 41 CB ILE A 3 -14.071 3.423 3.648 1.00 0.00 C ATOM 42 CG1 ILE A 3 -13.163 4.648 3.524 1.00 0.00 C ATOM 43 CG2 ILE A 3 -13.479 2.264 2.839 1.00 0.00 C ATOM 44 CD1 ILE A 3 -11.795 4.337 4.132 1.00 0.00 C ATOM 0 H ILE A 3 -16.071 2.110 4.255 1.00 0.00 H new ATOM 0 HA ILE A 3 -15.765 4.752 3.501 1.00 0.00 H new ATOM 0 HB ILE A 3 -14.146 3.124 4.694 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -13.052 4.926 2.476 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -13.613 5.500 4.033 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -12.486 2.024 3.220 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -14.124 1.390 2.931 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -13.406 2.552 1.790 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -11.150 5.211 4.043 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -11.914 4.080 5.185 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -11.344 3.498 3.603 1.00 0.00 H new ATOM 56 N ASP A 4 -15.329 5.024 1.049 1.00 0.00 N ATOM 57 CA ASP A 4 -15.301 5.200 -0.398 1.00 0.00 C ATOM 58 C ASP A 4 -14.089 4.502 -1.014 1.00 0.00 C ATOM 59 O ASP A 4 -14.184 3.910 -2.088 1.00 0.00 O ATOM 60 CB ASP A 4 -15.265 6.702 -0.723 1.00 0.00 C ATOM 61 CG ASP A 4 -16.681 7.275 -0.729 1.00 0.00 C ATOM 62 OD1 ASP A 4 -17.552 6.643 -1.303 1.00 0.00 O ATOM 63 OD2 ASP A 4 -16.872 8.336 -0.155 1.00 0.00 O ATOM 0 H ASP A 4 -15.245 5.889 1.583 1.00 0.00 H new ATOM 0 HA ASP A 4 -16.198 4.750 -0.823 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -14.656 7.226 0.013 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -14.797 6.860 -1.695 1.00 0.00 H new ATOM 68 N GLY A 5 -12.952 4.572 -0.330 1.00 0.00 N ATOM 69 CA GLY A 5 -11.734 3.941 -0.826 1.00 0.00 C ATOM 70 C GLY A 5 -11.615 2.526 -0.301 1.00 0.00 C ATOM 71 O GLY A 5 -11.021 2.291 0.748 1.00 0.00 O ATOM 0 H GLY A 5 -12.848 5.055 0.562 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -11.741 3.931 -1.916 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -10.865 4.523 -0.518 1.00 0.00 H new ATOM 75 N ARG A 6 -12.191 1.589 -1.034 1.00 0.00 N ATOM 76 CA ARG A 6 -12.167 0.183 -0.649 1.00 0.00 C ATOM 77 C ARG A 6 -11.791 -0.695 -1.840 1.00 0.00 C ATOM 78 O ARG A 6 -12.369 -1.762 -2.042 1.00 0.00 O ATOM 79 CB ARG A 6 -13.541 -0.215 -0.103 1.00 0.00 C ATOM 80 CG ARG A 6 -14.648 0.503 -0.888 1.00 0.00 C ATOM 81 CD ARG A 6 -14.728 -0.055 -2.311 1.00 0.00 C ATOM 82 NE ARG A 6 -15.969 0.362 -2.940 1.00 0.00 N ATOM 83 CZ ARG A 6 -16.206 0.096 -4.217 1.00 0.00 C ATOM 84 NH1 ARG A 6 -15.324 -0.562 -4.921 1.00 0.00 N ATOM 85 NH2 ARG A 6 -17.320 0.488 -4.767 1.00 0.00 N ATOM 0 H ARG A 6 -12.685 1.776 -1.906 1.00 0.00 H new ATOM 0 HA ARG A 6 -11.415 0.037 0.126 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -13.672 -1.294 -0.178 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -13.609 0.041 0.954 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -15.605 0.373 -0.383 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -14.447 1.574 -0.919 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -13.878 0.296 -2.896 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -14.671 -1.143 -2.287 1.00 0.00 H new ATOM 0 HE ARG A 6 -16.667 0.866 -2.392 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -14.454 -0.871 -4.488 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -15.506 -0.767 -5.904 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -18.009 0.999 -4.215 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -17.503 0.284 -5.749 1.00 0.00 H new ATOM 99 N LYS A 7 -10.822 -0.246 -2.632 1.00 0.00 N ATOM 100 CA LYS A 7 -10.390 -1.010 -3.803 1.00 0.00 C ATOM 101 C LYS A 7 -8.870 -1.161 -3.836 1.00 0.00 C ATOM 102 O LYS A 7 -8.183 -0.466 -4.584 1.00 0.00 O ATOM 103 CB LYS A 7 -10.862 -0.309 -5.080 1.00 0.00 C ATOM 104 CG LYS A 7 -10.901 -1.316 -6.248 1.00 0.00 C ATOM 105 CD LYS A 7 -12.261 -2.023 -6.283 1.00 0.00 C ATOM 106 CE LYS A 7 -12.169 -3.277 -7.149 1.00 0.00 C ATOM 107 NZ LYS A 7 -11.696 -2.901 -8.511 1.00 0.00 N ATOM 0 H LYS A 7 -10.324 0.633 -2.489 1.00 0.00 H new ATOM 0 HA LYS A 7 -10.832 -2.004 -3.741 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -11.852 0.120 -4.925 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -10.191 0.516 -5.322 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -10.726 -0.799 -7.191 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -10.103 -2.050 -6.134 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -12.569 -2.290 -5.272 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -13.021 -1.350 -6.680 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -11.483 -3.995 -6.699 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -13.143 -3.763 -7.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -11.902 -3.674 -9.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -12.185 -2.038 -8.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -10.671 -2.729 -8.487 1.00 0.00 H new ATOM 121 N PRO A 8 -8.346 -2.071 -3.058 1.00 0.00 N ATOM 122 CA PRO A 8 -6.885 -2.344 -3.006 1.00 0.00 C ATOM 123 C PRO A 8 -6.378 -2.904 -4.328 1.00 0.00 C ATOM 124 O PRO A 8 -7.147 -3.480 -5.100 1.00 0.00 O ATOM 125 CB PRO A 8 -6.734 -3.381 -1.868 1.00 0.00 C ATOM 126 CG PRO A 8 -8.025 -3.327 -1.116 1.00 0.00 C ATOM 127 CD PRO A 8 -9.084 -2.935 -2.133 1.00 0.00 C ATOM 0 HA PRO A 8 -6.302 -1.440 -2.829 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -6.552 -4.379 -2.266 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -5.891 -3.137 -1.222 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -8.255 -4.292 -0.665 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -7.974 -2.600 -0.305 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -9.500 -3.806 -2.639 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -9.917 -2.409 -1.667 1.00 0.00 H new ATOM 135 N LEU A 9 -5.087 -2.727 -4.585 1.00 0.00 N ATOM 136 CA LEU A 9 -4.487 -3.226 -5.825 1.00 0.00 C ATOM 137 C LEU A 9 -3.276 -4.099 -5.521 1.00 0.00 C ATOM 138 O LEU A 9 -2.280 -3.619 -4.989 1.00 0.00 O ATOM 139 CB LEU A 9 -4.059 -2.042 -6.696 1.00 0.00 C ATOM 140 CG LEU A 9 -3.924 -2.490 -8.160 1.00 0.00 C ATOM 141 CD1 LEU A 9 -3.614 -1.279 -9.042 1.00 0.00 C ATOM 142 CD2 LEU A 9 -2.803 -3.533 -8.301 1.00 0.00 C ATOM 0 H LEU A 9 -4.438 -2.247 -3.961 1.00 0.00 H new ATOM 0 HA LEU A 9 -5.226 -3.827 -6.355 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -4.792 -1.239 -6.619 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -3.109 -1.642 -6.340 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.864 -2.941 -8.477 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -3.519 -1.599 -10.079 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.422 -0.552 -8.959 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.680 -0.821 -8.716 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -2.721 -3.840 -9.344 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -1.858 -3.098 -7.975 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -3.035 -4.402 -7.685 1.00 0.00 H new ATOM 154 N LEU A 10 -3.360 -5.376 -5.885 1.00 0.00 N ATOM 155 CA LEU A 10 -2.251 -6.301 -5.663 1.00 0.00 C ATOM 156 C LEU A 10 -1.358 -6.317 -6.895 1.00 0.00 C ATOM 157 O LEU A 10 -1.846 -6.474 -8.014 1.00 0.00 O ATOM 158 CB LEU A 10 -2.791 -7.702 -5.374 1.00 0.00 C ATOM 159 CG LEU A 10 -1.647 -8.605 -4.878 1.00 0.00 C ATOM 160 CD1 LEU A 10 -2.230 -9.827 -4.179 1.00 0.00 C ATOM 161 CD2 LEU A 10 -0.735 -9.040 -6.052 1.00 0.00 C ATOM 0 H LEU A 10 -4.177 -5.792 -6.332 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.666 -5.974 -4.803 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -3.579 -7.651 -4.623 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -3.236 -8.124 -6.275 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.037 -8.041 -4.172 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -1.420 -10.466 -3.828 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -2.834 -9.507 -3.330 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.854 -10.383 -4.879 1.00 0.00 H new ATOM 0 HD21 LEU A 10 0.065 -9.677 -5.675 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -1.324 -9.592 -6.785 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -0.304 -8.157 -6.524 1.00 0.00 H new ATOM 173 N ILE A 11 -0.049 -6.135 -6.690 1.00 0.00 N ATOM 174 CA ILE A 11 0.900 -6.099 -7.806 1.00 0.00 C ATOM 175 C ILE A 11 1.713 -7.387 -7.871 1.00 0.00 C ATOM 176 O ILE A 11 1.817 -8.016 -8.926 1.00 0.00 O ATOM 177 CB ILE A 11 1.838 -4.885 -7.639 1.00 0.00 C ATOM 178 CG1 ILE A 11 2.032 -4.590 -6.148 1.00 0.00 C ATOM 179 CG2 ILE A 11 1.242 -3.653 -8.309 1.00 0.00 C ATOM 180 CD1 ILE A 11 3.170 -3.574 -5.942 1.00 0.00 C ATOM 0 H ILE A 11 0.374 -6.011 -5.770 1.00 0.00 H new ATOM 0 HA ILE A 11 0.344 -6.006 -8.739 1.00 0.00 H new ATOM 0 HB ILE A 11 2.795 -5.120 -8.105 1.00 0.00 H new ATOM 0 HG12 ILE A 11 1.107 -4.199 -5.725 1.00 0.00 H new ATOM 0 HG13 ILE A 11 2.260 -5.513 -5.615 1.00 0.00 H new ATOM 0 HG21 ILE A 11 1.917 -2.807 -8.181 1.00 0.00 H new ATOM 0 HG22 ILE A 11 1.103 -3.849 -9.372 1.00 0.00 H new ATOM 0 HG23 ILE A 11 0.279 -3.421 -7.854 1.00 0.00 H new ATOM 0 HD11 ILE A 11 3.293 -3.377 -4.877 1.00 0.00 H new ATOM 0 HD12 ILE A 11 4.098 -3.980 -6.346 1.00 0.00 H new ATOM 0 HD13 ILE A 11 2.926 -2.645 -6.457 1.00 0.00 H new ATOM 192 N GLY A 12 2.280 -7.776 -6.736 1.00 0.00 N ATOM 193 CA GLY A 12 3.077 -8.987 -6.667 1.00 0.00 C ATOM 194 C GLY A 12 3.204 -9.464 -5.233 1.00 0.00 C ATOM 195 O GLY A 12 2.454 -9.037 -4.356 1.00 0.00 O ATOM 0 H GLY A 12 2.201 -7.269 -5.854 1.00 0.00 H new ATOM 0 HA2 GLY A 12 2.617 -9.766 -7.275 1.00 0.00 H new ATOM 0 HA3 GLY A 12 4.067 -8.801 -7.083 1.00 0.00 H new ATOM 199 N THR A 13 4.154 -10.362 -5.002 1.00 0.00 N ATOM 200 CA THR A 13 4.369 -10.910 -3.666 1.00 0.00 C ATOM 201 C THR A 13 5.360 -10.049 -2.891 1.00 0.00 C ATOM 202 O THR A 13 6.154 -9.315 -3.480 1.00 0.00 O ATOM 203 CB THR A 13 4.899 -12.346 -3.754 1.00 0.00 C ATOM 204 OG1 THR A 13 4.154 -13.065 -4.728 1.00 0.00 O ATOM 205 CG2 THR A 13 4.743 -13.035 -2.391 1.00 0.00 C ATOM 0 H THR A 13 4.785 -10.725 -5.717 1.00 0.00 H new ATOM 0 HA THR A 13 3.413 -10.914 -3.143 1.00 0.00 H new ATOM 0 HB THR A 13 5.952 -12.326 -4.036 1.00 0.00 H new ATOM 0 HG1 THR A 13 4.493 -13.983 -4.787 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.120 -14.056 -2.454 1.00 0.00 H new ATOM 0 HG22 THR A 13 5.308 -12.485 -1.639 1.00 0.00 H new ATOM 0 HG23 THR A 13 3.690 -13.054 -2.111 1.00 0.00 H new ATOM 213 N CYS A 14 5.316 -10.148 -1.569 1.00 0.00 N ATOM 214 CA CYS A 14 6.222 -9.379 -0.727 1.00 0.00 C ATOM 215 C CYS A 14 7.647 -9.895 -0.879 1.00 0.00 C ATOM 216 O CYS A 14 8.552 -9.460 -0.167 1.00 0.00 O ATOM 217 CB CYS A 14 5.788 -9.489 0.734 1.00 0.00 C ATOM 218 SG CYS A 14 6.587 -8.185 1.703 1.00 0.00 S ATOM 0 H CYS A 14 4.668 -10.749 -1.060 1.00 0.00 H new ATOM 0 HA CYS A 14 6.189 -8.334 -1.037 1.00 0.00 H new ATOM 0 HB2 CYS A 14 4.704 -9.401 0.810 1.00 0.00 H new ATOM 0 HB3 CYS A 14 6.056 -10.468 1.131 1.00 0.00 H new ATOM 223 N ILE A 15 7.844 -10.824 -1.817 1.00 0.00 N ATOM 224 CA ILE A 15 9.164 -11.391 -2.054 1.00 0.00 C ATOM 225 C ILE A 15 9.888 -10.586 -3.125 1.00 0.00 C ATOM 226 O ILE A 15 11.059 -10.244 -2.969 1.00 0.00 O ATOM 227 CB ILE A 15 9.030 -12.851 -2.499 1.00 0.00 C ATOM 228 CG1 ILE A 15 8.410 -13.671 -1.364 1.00 0.00 C ATOM 229 CG2 ILE A 15 10.415 -13.413 -2.827 1.00 0.00 C ATOM 230 CD1 ILE A 15 8.032 -15.058 -1.883 1.00 0.00 C ATOM 0 H ILE A 15 7.109 -11.195 -2.419 1.00 0.00 H new ATOM 0 HA ILE A 15 9.741 -11.352 -1.130 1.00 0.00 H new ATOM 0 HB ILE A 15 8.394 -12.905 -3.383 1.00 0.00 H new ATOM 0 HG12 ILE A 15 9.116 -13.760 -0.538 1.00 0.00 H new ATOM 0 HG13 ILE A 15 7.527 -13.164 -0.975 1.00 0.00 H new ATOM 0 HG21 ILE A 15 10.321 -14.452 -3.144 1.00 0.00 H new ATOM 0 HG22 ILE A 15 10.864 -12.828 -3.630 1.00 0.00 H new ATOM 0 HG23 ILE A 15 11.048 -13.360 -1.941 1.00 0.00 H new ATOM 0 HD11 ILE A 15 7.591 -15.641 -1.075 1.00 0.00 H new ATOM 0 HD12 ILE A 15 7.311 -14.959 -2.694 1.00 0.00 H new ATOM 0 HD13 ILE A 15 8.924 -15.565 -2.251 1.00 0.00 H new ATOM 242 N GLU A 16 9.176 -10.279 -4.210 1.00 0.00 N ATOM 243 CA GLU A 16 9.754 -9.503 -5.307 1.00 0.00 C ATOM 244 C GLU A 16 9.517 -8.009 -5.102 1.00 0.00 C ATOM 245 O GLU A 16 10.098 -7.177 -5.798 1.00 0.00 O ATOM 246 CB GLU A 16 9.153 -9.945 -6.638 1.00 0.00 C ATOM 247 CG GLU A 16 7.642 -10.092 -6.492 1.00 0.00 C ATOM 248 CD GLU A 16 7.008 -10.319 -7.859 1.00 0.00 C ATOM 249 OE1 GLU A 16 7.604 -11.024 -8.657 1.00 0.00 O ATOM 250 OE2 GLU A 16 5.935 -9.785 -8.089 1.00 0.00 O ATOM 0 H GLU A 16 8.204 -10.554 -4.352 1.00 0.00 H new ATOM 0 HA GLU A 16 10.829 -9.683 -5.321 1.00 0.00 H new ATOM 0 HB2 GLU A 16 9.384 -9.215 -7.414 1.00 0.00 H new ATOM 0 HB3 GLU A 16 9.592 -10.892 -6.951 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.411 -10.928 -5.831 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.224 -9.197 -6.032 1.00 0.00 H new ATOM 257 N PHE A 17 8.659 -7.681 -4.142 1.00 0.00 N ATOM 258 CA PHE A 17 8.341 -6.292 -3.832 1.00 0.00 C ATOM 259 C PHE A 17 8.160 -6.103 -2.328 1.00 0.00 C ATOM 260 O PHE A 17 7.036 -6.085 -1.834 1.00 0.00 O ATOM 261 CB PHE A 17 7.064 -5.876 -4.562 1.00 0.00 C ATOM 262 CG PHE A 17 7.302 -5.948 -6.059 1.00 0.00 C ATOM 263 CD1 PHE A 17 8.291 -5.155 -6.659 1.00 0.00 C ATOM 264 CD2 PHE A 17 6.541 -6.812 -6.845 1.00 0.00 C ATOM 265 CE1 PHE A 17 8.513 -5.228 -8.033 1.00 0.00 C ATOM 266 CE2 PHE A 17 6.762 -6.888 -8.223 1.00 0.00 C ATOM 267 CZ PHE A 17 7.749 -6.094 -8.819 1.00 0.00 C ATOM 0 H PHE A 17 8.169 -8.362 -3.562 1.00 0.00 H new ATOM 0 HA PHE A 17 9.169 -5.666 -4.164 1.00 0.00 H new ATOM 0 HB2 PHE A 17 6.240 -6.531 -4.280 1.00 0.00 H new ATOM 0 HB3 PHE A 17 6.779 -4.864 -4.275 1.00 0.00 H new ATOM 0 HD1 PHE A 17 8.883 -4.485 -6.054 1.00 0.00 H new ATOM 0 HD2 PHE A 17 5.778 -7.425 -6.388 1.00 0.00 H new ATOM 0 HE1 PHE A 17 9.276 -4.615 -8.490 1.00 0.00 H new ATOM 0 HE2 PHE A 17 6.171 -7.560 -8.828 1.00 0.00 H new ATOM 0 HZ PHE A 17 7.919 -6.151 -9.884 1.00 0.00 H new ATOM 277 N PRO A 18 9.246 -5.951 -1.601 1.00 0.00 N ATOM 278 CA PRO A 18 9.210 -5.742 -0.123 1.00 0.00 C ATOM 279 C PRO A 18 8.563 -4.411 0.246 1.00 0.00 C ATOM 280 O PRO A 18 8.027 -3.720 -0.603 1.00 0.00 O ATOM 281 CB PRO A 18 10.694 -5.785 0.306 1.00 0.00 C ATOM 282 CG PRO A 18 11.443 -6.336 -0.872 1.00 0.00 C ATOM 283 CD PRO A 18 10.624 -5.970 -2.103 1.00 0.00 C ATOM 0 HA PRO A 18 8.609 -6.498 0.382 1.00 0.00 H new ATOM 0 HB2 PRO A 18 11.054 -4.790 0.568 1.00 0.00 H new ATOM 0 HB3 PRO A 18 10.829 -6.415 1.185 1.00 0.00 H new ATOM 0 HG2 PRO A 18 12.445 -5.911 -0.930 1.00 0.00 H new ATOM 0 HG3 PRO A 18 11.560 -7.417 -0.789 1.00 0.00 H new ATOM 0 HD2 PRO A 18 10.918 -5.001 -2.508 1.00 0.00 H new ATOM 0 HD3 PRO A 18 10.751 -6.701 -2.902 1.00 0.00 H new ATOM 291 N THR A 19 8.615 -4.062 1.518 1.00 0.00 N ATOM 292 CA THR A 19 8.008 -2.818 1.977 1.00 0.00 C ATOM 293 C THR A 19 8.401 -1.641 1.095 1.00 0.00 C ATOM 294 O THR A 19 7.540 -0.948 0.560 1.00 0.00 O ATOM 295 CB THR A 19 8.449 -2.530 3.412 1.00 0.00 C ATOM 296 OG1 THR A 19 9.862 -2.623 3.509 1.00 0.00 O ATOM 297 CG2 THR A 19 7.806 -3.541 4.358 1.00 0.00 C ATOM 0 H THR A 19 9.066 -4.613 2.248 1.00 0.00 H new ATOM 0 HA THR A 19 6.926 -2.940 1.927 1.00 0.00 H new ATOM 0 HB THR A 19 8.135 -1.523 3.688 1.00 0.00 H new ATOM 0 HG1 THR A 19 10.140 -2.436 4.430 1.00 0.00 H new ATOM 0 HG21 THR A 19 8.122 -3.334 5.381 1.00 0.00 H new ATOM 0 HG22 THR A 19 6.721 -3.464 4.290 1.00 0.00 H new ATOM 0 HG23 THR A 19 8.116 -4.548 4.079 1.00 0.00 H new ATOM 305 N GLU A 20 9.694 -1.417 0.964 1.00 0.00 N ATOM 306 CA GLU A 20 10.211 -0.301 0.167 1.00 0.00 C ATOM 307 C GLU A 20 9.541 -0.227 -1.205 1.00 0.00 C ATOM 308 O GLU A 20 8.745 0.675 -1.478 1.00 0.00 O ATOM 309 CB GLU A 20 11.750 -0.451 -0.026 1.00 0.00 C ATOM 310 CG GLU A 20 12.241 -1.738 0.640 1.00 0.00 C ATOM 311 CD GLU A 20 12.120 -1.614 2.154 1.00 0.00 C ATOM 312 OE1 GLU A 20 12.006 -0.496 2.628 1.00 0.00 O ATOM 313 OE2 GLU A 20 12.142 -2.639 2.816 1.00 0.00 O ATOM 0 H GLU A 20 10.416 -1.992 1.398 1.00 0.00 H new ATOM 0 HA GLU A 20 9.988 0.618 0.709 1.00 0.00 H new ATOM 0 HB2 GLU A 20 11.991 -0.468 -1.089 1.00 0.00 H new ATOM 0 HB3 GLU A 20 12.264 0.409 0.404 1.00 0.00 H new ATOM 0 HG2 GLU A 20 11.655 -2.587 0.287 1.00 0.00 H new ATOM 0 HG3 GLU A 20 13.278 -1.929 0.363 1.00 0.00 H new ATOM 320 N LYS A 21 9.890 -1.168 -2.065 1.00 0.00 N ATOM 321 CA LYS A 21 9.350 -1.184 -3.416 1.00 0.00 C ATOM 322 C LYS A 21 7.844 -1.314 -3.414 1.00 0.00 C ATOM 323 O LYS A 21 7.159 -0.650 -4.187 1.00 0.00 O ATOM 324 CB LYS A 21 9.949 -2.345 -4.214 1.00 0.00 C ATOM 325 CG LYS A 21 11.404 -2.047 -4.523 1.00 0.00 C ATOM 326 CD LYS A 21 11.967 -3.077 -5.516 1.00 0.00 C ATOM 327 CE LYS A 21 12.159 -4.425 -4.831 1.00 0.00 C ATOM 328 NZ LYS A 21 13.023 -5.297 -5.678 1.00 0.00 N ATOM 0 H LYS A 21 10.540 -1.926 -1.856 1.00 0.00 H new ATOM 0 HA LYS A 21 9.616 -0.235 -3.881 1.00 0.00 H new ATOM 0 HB2 LYS A 21 9.869 -3.271 -3.645 1.00 0.00 H new ATOM 0 HB3 LYS A 21 9.392 -2.490 -5.139 1.00 0.00 H new ATOM 0 HG2 LYS A 21 11.495 -1.044 -4.940 1.00 0.00 H new ATOM 0 HG3 LYS A 21 11.988 -2.064 -3.603 1.00 0.00 H new ATOM 0 HD2 LYS A 21 11.288 -3.185 -6.362 1.00 0.00 H new ATOM 0 HD3 LYS A 21 12.919 -2.725 -5.914 1.00 0.00 H new ATOM 0 HE2 LYS A 21 12.616 -4.285 -3.851 1.00 0.00 H new ATOM 0 HE3 LYS A 21 11.193 -4.902 -4.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 13.153 -6.216 -5.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 12.570 -5.441 -6.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 13.949 -4.843 -5.813 1.00 0.00 H new ATOM 342 N CYS A 22 7.325 -2.179 -2.574 1.00 0.00 N ATOM 343 CA CYS A 22 5.895 -2.385 -2.533 1.00 0.00 C ATOM 344 C CYS A 22 5.148 -1.055 -2.554 1.00 0.00 C ATOM 345 O CYS A 22 4.343 -0.793 -3.449 1.00 0.00 O ATOM 346 CB CYS A 22 5.503 -3.154 -1.276 1.00 0.00 C ATOM 347 SG CYS A 22 3.699 -3.317 -1.181 1.00 0.00 S ATOM 0 H CYS A 22 7.863 -2.745 -1.918 1.00 0.00 H new ATOM 0 HA CYS A 22 5.621 -2.961 -3.417 1.00 0.00 H new ATOM 0 HB2 CYS A 22 5.965 -4.141 -1.286 1.00 0.00 H new ATOM 0 HB3 CYS A 22 5.876 -2.636 -0.392 1.00 0.00 H new ATOM 352 N ASN A 23 5.414 -0.227 -1.553 1.00 0.00 N ATOM 353 CA ASN A 23 4.755 1.064 -1.460 1.00 0.00 C ATOM 354 C ASN A 23 5.150 1.951 -2.632 1.00 0.00 C ATOM 355 O ASN A 23 4.294 2.432 -3.358 1.00 0.00 O ATOM 356 CB ASN A 23 5.137 1.755 -0.144 1.00 0.00 C ATOM 357 CG ASN A 23 6.629 2.043 -0.116 1.00 0.00 C ATOM 358 OD1 ASN A 23 7.391 1.331 0.527 1.00 0.00 O ATOM 359 ND2 ASN A 23 7.096 3.068 -0.752 1.00 0.00 N ATOM 0 H ASN A 23 6.075 -0.425 -0.802 1.00 0.00 H new ATOM 0 HA ASN A 23 3.677 0.902 -1.486 1.00 0.00 H new ATOM 0 HB2 ASN A 23 4.578 2.685 -0.037 1.00 0.00 H new ATOM 0 HB3 ASN A 23 4.866 1.121 0.700 1.00 0.00 H new ATOM 0 HD21 ASN A 23 8.093 3.279 -0.716 1.00 0.00 H new ATOM 0 HD22 ASN A 23 6.467 3.665 -1.289 1.00 0.00 H new ATOM 366 N LYS A 24 6.443 2.161 -2.818 1.00 0.00 N ATOM 367 CA LYS A 24 6.912 3.020 -3.900 1.00 0.00 C ATOM 368 C LYS A 24 6.208 2.669 -5.207 1.00 0.00 C ATOM 369 O LYS A 24 5.791 3.554 -5.957 1.00 0.00 O ATOM 370 CB LYS A 24 8.438 2.859 -4.053 1.00 0.00 C ATOM 371 CG LYS A 24 9.176 3.938 -3.254 1.00 0.00 C ATOM 372 CD LYS A 24 10.684 3.692 -3.332 1.00 0.00 C ATOM 373 CE LYS A 24 11.411 4.757 -2.511 1.00 0.00 C ATOM 374 NZ LYS A 24 12.879 4.513 -2.572 1.00 0.00 N ATOM 0 H LYS A 24 7.181 1.755 -2.243 1.00 0.00 H new ATOM 0 HA LYS A 24 6.680 4.057 -3.659 1.00 0.00 H new ATOM 0 HB2 LYS A 24 8.742 1.871 -3.707 1.00 0.00 H new ATOM 0 HB3 LYS A 24 8.713 2.926 -5.106 1.00 0.00 H new ATOM 0 HG2 LYS A 24 8.937 4.925 -3.650 1.00 0.00 H new ATOM 0 HG3 LYS A 24 8.848 3.923 -2.215 1.00 0.00 H new ATOM 0 HD2 LYS A 24 10.922 2.698 -2.953 1.00 0.00 H new ATOM 0 HD3 LYS A 24 11.017 3.726 -4.369 1.00 0.00 H new ATOM 0 HE2 LYS A 24 11.180 5.750 -2.897 1.00 0.00 H new ATOM 0 HE3 LYS A 24 11.070 4.730 -1.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 13.375 5.237 -2.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 13.091 3.572 -2.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 13.198 4.560 -3.561 1.00 0.00 H new ATOM 388 N THR A 25 6.073 1.381 -5.462 1.00 0.00 N ATOM 389 CA THR A 25 5.416 0.922 -6.669 1.00 0.00 C ATOM 390 C THR A 25 3.943 1.307 -6.646 1.00 0.00 C ATOM 391 O THR A 25 3.362 1.669 -7.672 1.00 0.00 O ATOM 392 CB THR A 25 5.556 -0.588 -6.811 1.00 0.00 C ATOM 393 OG1 THR A 25 6.908 -0.961 -6.580 1.00 0.00 O ATOM 394 CG2 THR A 25 5.146 -1.009 -8.224 1.00 0.00 C ATOM 0 H THR A 25 6.409 0.637 -4.851 1.00 0.00 H new ATOM 0 HA THR A 25 5.894 1.400 -7.524 1.00 0.00 H new ATOM 0 HB THR A 25 4.912 -1.082 -6.084 1.00 0.00 H new ATOM 0 HG1 THR A 25 7.012 -1.254 -5.651 1.00 0.00 H new ATOM 0 HG21 THR A 25 5.246 -2.090 -8.325 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.110 -0.722 -8.403 1.00 0.00 H new ATOM 0 HG23 THR A 25 5.790 -0.515 -8.952 1.00 0.00 H new ATOM 402 N CYS A 26 3.342 1.227 -5.466 1.00 0.00 N ATOM 403 CA CYS A 26 1.936 1.575 -5.323 1.00 0.00 C ATOM 404 C CYS A 26 1.736 3.071 -5.546 1.00 0.00 C ATOM 405 O CYS A 26 0.708 3.505 -6.064 1.00 0.00 O ATOM 406 CB CYS A 26 1.437 1.193 -3.927 1.00 0.00 C ATOM 407 SG CYS A 26 1.139 -0.588 -3.825 1.00 0.00 S ATOM 0 H CYS A 26 3.800 0.928 -4.605 1.00 0.00 H new ATOM 0 HA CYS A 26 1.366 1.024 -6.071 1.00 0.00 H new ATOM 0 HB2 CYS A 26 2.172 1.488 -3.178 1.00 0.00 H new ATOM 0 HB3 CYS A 26 0.518 1.735 -3.702 1.00 0.00 H new ATOM 412 N ILE A 27 2.729 3.848 -5.142 1.00 0.00 N ATOM 413 CA ILE A 27 2.670 5.297 -5.283 1.00 0.00 C ATOM 414 C ILE A 27 2.563 5.685 -6.741 1.00 0.00 C ATOM 415 O ILE A 27 1.757 6.537 -7.115 1.00 0.00 O ATOM 416 CB ILE A 27 3.937 5.922 -4.678 1.00 0.00 C ATOM 417 CG1 ILE A 27 4.066 5.511 -3.199 1.00 0.00 C ATOM 418 CG2 ILE A 27 3.874 7.449 -4.804 1.00 0.00 C ATOM 419 CD1 ILE A 27 3.310 6.478 -2.295 1.00 0.00 C ATOM 0 H ILE A 27 3.587 3.500 -4.713 1.00 0.00 H new ATOM 0 HA ILE A 27 1.789 5.665 -4.757 1.00 0.00 H new ATOM 0 HB ILE A 27 4.811 5.561 -5.220 1.00 0.00 H new ATOM 0 HG12 ILE A 27 3.678 4.502 -3.063 1.00 0.00 H new ATOM 0 HG13 ILE A 27 5.118 5.489 -2.915 1.00 0.00 H new ATOM 0 HG21 ILE A 27 4.775 7.887 -4.374 1.00 0.00 H new ATOM 0 HG22 ILE A 27 3.804 7.725 -5.856 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.999 7.822 -4.272 1.00 0.00 H new ATOM 0 HD11 ILE A 27 3.417 6.165 -1.257 1.00 0.00 H new ATOM 0 HD12 ILE A 27 3.717 7.482 -2.415 1.00 0.00 H new ATOM 0 HD13 ILE A 27 2.254 6.480 -2.566 1.00 0.00 H new ATOM 431 N GLU A 28 3.393 5.070 -7.561 1.00 0.00 N ATOM 432 CA GLU A 28 3.399 5.374 -8.982 1.00 0.00 C ATOM 433 C GLU A 28 2.084 4.933 -9.630 1.00 0.00 C ATOM 434 O GLU A 28 1.618 5.531 -10.601 1.00 0.00 O ATOM 435 CB GLU A 28 4.603 4.686 -9.691 1.00 0.00 C ATOM 436 CG GLU A 28 5.515 4.054 -8.648 1.00 0.00 C ATOM 437 CD GLU A 28 6.738 3.443 -9.317 1.00 0.00 C ATOM 438 OE1 GLU A 28 6.713 3.291 -10.526 1.00 0.00 O ATOM 439 OE2 GLU A 28 7.679 3.131 -8.606 1.00 0.00 O ATOM 0 H GLU A 28 4.068 4.362 -7.272 1.00 0.00 H new ATOM 0 HA GLU A 28 3.502 6.453 -9.096 1.00 0.00 H new ATOM 0 HB2 GLU A 28 4.244 3.925 -10.384 1.00 0.00 H new ATOM 0 HB3 GLU A 28 5.158 5.417 -10.279 1.00 0.00 H new ATOM 0 HG2 GLU A 28 5.826 4.806 -7.923 1.00 0.00 H new ATOM 0 HG3 GLU A 28 4.972 3.286 -8.097 1.00 0.00 H new ATOM 446 N SER A 29 1.502 3.875 -9.084 1.00 0.00 N ATOM 447 CA SER A 29 0.263 3.330 -9.600 1.00 0.00 C ATOM 448 C SER A 29 -0.899 4.241 -9.256 1.00 0.00 C ATOM 449 O SER A 29 -2.043 3.937 -9.579 1.00 0.00 O ATOM 450 CB SER A 29 0.019 1.935 -9.022 1.00 0.00 C ATOM 451 OG SER A 29 0.900 1.010 -9.643 1.00 0.00 O ATOM 0 H SER A 29 1.875 3.376 -8.277 1.00 0.00 H new ATOM 0 HA SER A 29 0.343 3.257 -10.685 1.00 0.00 H new ATOM 0 HB2 SER A 29 0.181 1.942 -7.944 1.00 0.00 H new ATOM 0 HB3 SER A 29 -1.016 1.636 -9.187 1.00 0.00 H new ATOM 0 HG SER A 29 1.774 1.043 -9.201 1.00 0.00 H new ATOM 457 N ASN A 30 -0.593 5.353 -8.596 1.00 0.00 N ATOM 458 CA ASN A 30 -1.622 6.311 -8.209 1.00 0.00 C ATOM 459 C ASN A 30 -2.440 5.790 -7.034 1.00 0.00 C ATOM 460 O ASN A 30 -3.668 5.743 -7.096 1.00 0.00 O ATOM 461 CB ASN A 30 -2.550 6.584 -9.398 1.00 0.00 C ATOM 462 CG ASN A 30 -1.754 6.558 -10.696 1.00 0.00 C ATOM 463 OD1 ASN A 30 -0.854 7.372 -10.889 1.00 0.00 O ATOM 464 ND2 ASN A 30 -2.036 5.662 -11.604 1.00 0.00 N ATOM 0 H ASN A 30 0.354 5.612 -8.319 1.00 0.00 H new ATOM 0 HA ASN A 30 -1.130 7.235 -7.905 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -3.341 5.835 -9.432 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -3.034 7.553 -9.278 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -1.508 5.637 -12.477 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -2.784 4.988 -11.440 1.00 0.00 H new ATOM 471 N PHE A 31 -1.754 5.398 -5.964 1.00 0.00 N ATOM 472 CA PHE A 31 -2.422 4.880 -4.773 1.00 0.00 C ATOM 473 C PHE A 31 -1.768 5.426 -3.508 1.00 0.00 C ATOM 474 O PHE A 31 -0.636 5.908 -3.541 1.00 0.00 O ATOM 475 CB PHE A 31 -2.357 3.354 -4.763 1.00 0.00 C ATOM 476 CG PHE A 31 -3.333 2.796 -5.775 1.00 0.00 C ATOM 477 CD1 PHE A 31 -4.650 2.519 -5.396 1.00 0.00 C ATOM 478 CD2 PHE A 31 -2.922 2.561 -7.087 1.00 0.00 C ATOM 479 CE1 PHE A 31 -5.557 2.006 -6.331 1.00 0.00 C ATOM 480 CE2 PHE A 31 -3.828 2.050 -8.027 1.00 0.00 C ATOM 481 CZ PHE A 31 -5.146 1.772 -7.648 1.00 0.00 C ATOM 0 H PHE A 31 -0.737 5.429 -5.897 1.00 0.00 H new ATOM 0 HA PHE A 31 -3.463 5.201 -4.796 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.346 3.022 -4.997 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -2.594 2.977 -3.768 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -4.968 2.701 -4.380 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.904 2.773 -7.379 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -6.573 1.791 -6.036 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -3.509 1.871 -9.043 1.00 0.00 H new ATOM 0 HZ PHE A 31 -5.845 1.377 -8.371 1.00 0.00 H new ATOM 491 N ALA A 32 -2.490 5.337 -2.395 1.00 0.00 N ATOM 492 CA ALA A 32 -1.976 5.815 -1.118 1.00 0.00 C ATOM 493 C ALA A 32 -0.842 4.916 -0.625 1.00 0.00 C ATOM 494 O ALA A 32 -0.643 4.759 0.578 1.00 0.00 O ATOM 495 CB ALA A 32 -3.105 5.847 -0.076 1.00 0.00 C ATOM 0 H ALA A 32 -3.429 4.940 -2.352 1.00 0.00 H new ATOM 0 HA ALA A 32 -1.587 6.823 -1.258 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -2.712 6.205 0.875 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -3.896 6.515 -0.417 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -3.509 4.843 0.054 1.00 0.00 H new ATOM 501 N GLY A 33 -0.109 4.326 -1.562 1.00 0.00 N ATOM 502 CA GLY A 33 0.994 3.441 -1.219 1.00 0.00 C ATOM 503 C GLY A 33 0.484 2.036 -0.937 1.00 0.00 C ATOM 504 O GLY A 33 -0.706 1.766 -1.076 1.00 0.00 O ATOM 0 H GLY A 33 -0.260 4.445 -2.564 1.00 0.00 H new ATOM 0 HA2 GLY A 33 1.715 3.415 -2.036 1.00 0.00 H new ATOM 0 HA3 GLY A 33 1.518 3.826 -0.344 1.00 0.00 H new ATOM 508 N GLY A 34 1.393 1.143 -0.547 1.00 0.00 N ATOM 509 CA GLY A 34 1.029 -0.244 -0.254 1.00 0.00 C ATOM 510 C GLY A 34 1.906 -0.814 0.852 1.00 0.00 C ATOM 511 O GLY A 34 2.800 -0.137 1.359 1.00 0.00 O ATOM 0 H GLY A 34 2.384 1.354 -0.427 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.018 -0.294 0.045 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.133 -0.849 -1.154 1.00 0.00 H new ATOM 515 N LYS A 35 1.636 -2.059 1.229 1.00 0.00 N ATOM 516 CA LYS A 35 2.398 -2.713 2.282 1.00 0.00 C ATOM 517 C LYS A 35 2.304 -4.227 2.138 1.00 0.00 C ATOM 518 O LYS A 35 1.695 -4.728 1.195 1.00 0.00 O ATOM 519 CB LYS A 35 1.857 -2.281 3.646 1.00 0.00 C ATOM 520 CG LYS A 35 0.484 -2.935 3.901 1.00 0.00 C ATOM 521 CD LYS A 35 -0.324 -2.076 4.867 1.00 0.00 C ATOM 522 CE LYS A 35 0.434 -1.930 6.190 1.00 0.00 C ATOM 523 NZ LYS A 35 -0.465 -1.334 7.219 1.00 0.00 N ATOM 0 H LYS A 35 0.897 -2.632 0.822 1.00 0.00 H new ATOM 0 HA LYS A 35 3.445 -2.421 2.200 1.00 0.00 H new ATOM 0 HB2 LYS A 35 2.557 -2.568 4.431 1.00 0.00 H new ATOM 0 HB3 LYS A 35 1.764 -1.196 3.682 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -0.056 -3.048 2.961 1.00 0.00 H new ATOM 0 HG3 LYS A 35 0.618 -3.935 4.313 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -0.505 -1.094 4.431 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -1.299 -2.530 5.044 1.00 0.00 H new ATOM 0 HE2 LYS A 35 0.792 -2.904 6.525 1.00 0.00 H new ATOM 0 HE3 LYS A 35 1.312 -1.299 6.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 0.052 -1.236 8.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -0.785 -0.398 6.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -1.289 -1.952 7.360 1.00 0.00 H new ATOM 537 N CYS A 36 2.905 -4.950 3.081 1.00 0.00 N ATOM 538 CA CYS A 36 2.876 -6.414 3.056 1.00 0.00 C ATOM 539 C CYS A 36 1.972 -6.949 4.159 1.00 0.00 C ATOM 540 O CYS A 36 2.181 -6.663 5.337 1.00 0.00 O ATOM 541 CB CYS A 36 4.289 -6.965 3.240 1.00 0.00 C ATOM 542 SG CYS A 36 5.241 -6.678 1.728 1.00 0.00 S ATOM 0 H CYS A 36 3.416 -4.550 3.868 1.00 0.00 H new ATOM 0 HA CYS A 36 2.483 -6.736 2.092 1.00 0.00 H new ATOM 0 HB2 CYS A 36 4.774 -6.480 4.087 1.00 0.00 H new ATOM 0 HB3 CYS A 36 4.250 -8.031 3.463 1.00 0.00 H new ATOM 547 N VAL A 37 0.963 -7.725 3.768 1.00 0.00 N ATOM 548 CA VAL A 37 0.019 -8.300 4.735 1.00 0.00 C ATOM 549 C VAL A 37 -0.294 -9.750 4.390 1.00 0.00 C ATOM 550 O VAL A 37 -0.040 -10.204 3.275 1.00 0.00 O ATOM 551 CB VAL A 37 -1.277 -7.478 4.759 1.00 0.00 C ATOM 552 CG1 VAL A 37 -1.068 -6.201 5.588 1.00 0.00 C ATOM 553 CG2 VAL A 37 -1.660 -7.108 3.323 1.00 0.00 C ATOM 0 H VAL A 37 0.775 -7.971 2.796 1.00 0.00 H new ATOM 0 HA VAL A 37 0.481 -8.272 5.722 1.00 0.00 H new ATOM 0 HB VAL A 37 -2.076 -8.065 5.212 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -1.991 -5.621 5.602 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -0.793 -6.470 6.608 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -0.271 -5.605 5.143 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -2.580 -6.524 3.331 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.860 -6.520 2.873 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -1.813 -8.017 2.741 1.00 0.00 H new ATOM 563 N HIS A 38 -0.852 -10.468 5.362 1.00 0.00 N ATOM 564 CA HIS A 38 -1.212 -11.872 5.170 1.00 0.00 C ATOM 565 C HIS A 38 -2.664 -11.990 4.717 1.00 0.00 C ATOM 566 O HIS A 38 -3.467 -11.085 4.939 1.00 0.00 O ATOM 567 CB HIS A 38 -1.008 -12.656 6.474 1.00 0.00 C ATOM 568 CG HIS A 38 -1.319 -11.769 7.647 1.00 0.00 C ATOM 569 ND1 HIS A 38 -2.573 -11.737 8.235 1.00 0.00 N ATOM 570 CD2 HIS A 38 -0.550 -10.878 8.353 1.00 0.00 C ATOM 571 CE1 HIS A 38 -2.523 -10.855 9.249 1.00 0.00 C ATOM 572 NE2 HIS A 38 -1.312 -10.304 9.367 1.00 0.00 N ATOM 0 H HIS A 38 -1.065 -10.102 6.290 1.00 0.00 H new ATOM 0 HA HIS A 38 -0.566 -12.292 4.399 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -1.654 -13.534 6.487 1.00 0.00 H new ATOM 0 HB3 HIS A 38 0.019 -13.015 6.538 1.00 0.00 H new ATOM 0 HD2 HIS A 38 0.488 -10.656 8.153 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -3.360 -10.621 9.890 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -1.010 -9.612 10.053 1.00 0.00 H new ATOM 580 N ILE A 39 -2.990 -13.110 4.075 1.00 0.00 N ATOM 581 CA ILE A 39 -4.349 -13.345 3.583 1.00 0.00 C ATOM 582 C ILE A 39 -5.031 -14.442 4.390 1.00 0.00 C ATOM 583 O ILE A 39 -4.533 -15.565 4.485 1.00 0.00 O ATOM 584 CB ILE A 39 -4.296 -13.755 2.113 1.00 0.00 C ATOM 585 CG1 ILE A 39 -3.467 -12.729 1.327 1.00 0.00 C ATOM 586 CG2 ILE A 39 -5.715 -13.805 1.542 1.00 0.00 C ATOM 587 CD1 ILE A 39 -4.006 -11.306 1.555 1.00 0.00 C ATOM 0 H ILE A 39 -2.335 -13.868 3.883 1.00 0.00 H new ATOM 0 HA ILE A 39 -4.922 -12.424 3.691 1.00 0.00 H new ATOM 0 HB ILE A 39 -3.836 -14.740 2.028 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.424 -12.782 1.638 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.496 -12.968 0.264 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -5.675 -14.098 0.493 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -6.306 -14.532 2.099 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -6.176 -12.821 1.627 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -3.405 -10.594 0.989 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -5.042 -11.252 1.221 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -3.953 -11.063 2.616 1.00 0.00 H new ATOM 599 N GLY A 40 -6.180 -14.106 4.963 1.00 0.00 N ATOM 600 CA GLY A 40 -6.938 -15.064 5.756 1.00 0.00 C ATOM 601 C GLY A 40 -6.039 -15.853 6.685 1.00 0.00 C ATOM 602 O GLY A 40 -6.406 -16.934 7.135 1.00 0.00 O ATOM 0 H GLY A 40 -6.605 -13.182 4.894 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -7.693 -14.538 6.340 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -7.467 -15.748 5.093 1.00 0.00 H new ATOM 606 N GLN A 41 -4.867 -15.308 6.959 1.00 0.00 N ATOM 607 CA GLN A 41 -3.912 -15.966 7.837 1.00 0.00 C ATOM 608 C GLN A 41 -3.282 -17.173 7.143 1.00 0.00 C ATOM 609 O GLN A 41 -3.012 -18.193 7.774 1.00 0.00 O ATOM 610 CB GLN A 41 -4.608 -16.415 9.133 1.00 0.00 C ATOM 611 CG GLN A 41 -3.575 -16.591 10.241 1.00 0.00 C ATOM 612 CD GLN A 41 -4.268 -17.008 11.534 1.00 0.00 C ATOM 613 OE1 GLN A 41 -5.474 -16.813 11.684 1.00 0.00 O ATOM 614 NE2 GLN A 41 -3.573 -17.578 12.481 1.00 0.00 N ATOM 0 H GLN A 41 -4.552 -14.412 6.587 1.00 0.00 H new ATOM 0 HA GLN A 41 -3.124 -15.254 8.080 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -5.352 -15.677 9.431 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -5.138 -17.352 8.966 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -2.843 -17.344 9.951 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -3.030 -15.659 10.394 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -2.574 -17.738 12.354 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -4.029 -17.863 13.348 1.00 0.00 H new ATOM 623 N SER A 42 -3.051 -17.050 5.840 1.00 0.00 N ATOM 624 CA SER A 42 -2.455 -18.142 5.067 1.00 0.00 C ATOM 625 C SER A 42 -0.937 -18.098 5.148 1.00 0.00 C ATOM 626 O SER A 42 -0.245 -18.959 4.608 1.00 0.00 O ATOM 627 CB SER A 42 -2.879 -18.031 3.608 1.00 0.00 C ATOM 628 OG SER A 42 -4.254 -18.370 3.487 1.00 0.00 O ATOM 0 H SER A 42 -3.264 -16.213 5.297 1.00 0.00 H new ATOM 0 HA SER A 42 -2.804 -19.086 5.487 1.00 0.00 H new ATOM 0 HB2 SER A 42 -2.710 -17.017 3.245 1.00 0.00 H new ATOM 0 HB3 SER A 42 -2.274 -18.695 2.991 1.00 0.00 H new ATOM 0 HG SER A 42 -4.804 -17.601 3.745 1.00 0.00 H new ATOM 634 N LEU A 43 -0.432 -17.091 5.827 1.00 0.00 N ATOM 635 CA LEU A 43 0.997 -16.920 5.992 1.00 0.00 C ATOM 636 C LEU A 43 1.646 -16.528 4.675 1.00 0.00 C ATOM 637 O LEU A 43 2.828 -16.774 4.462 1.00 0.00 O ATOM 638 CB LEU A 43 1.624 -18.227 6.522 1.00 0.00 C ATOM 639 CG LEU A 43 2.673 -17.930 7.604 1.00 0.00 C ATOM 640 CD1 LEU A 43 3.805 -17.072 7.008 1.00 0.00 C ATOM 641 CD2 LEU A 43 2.006 -17.207 8.802 1.00 0.00 C ATOM 0 H LEU A 43 -0.996 -16.371 6.278 1.00 0.00 H new ATOM 0 HA LEU A 43 1.170 -16.121 6.713 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.845 -18.869 6.932 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.087 -18.773 5.700 1.00 0.00 H new ATOM 0 HG LEU A 43 3.100 -18.866 7.963 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.547 -16.863 7.778 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.276 -17.611 6.186 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.393 -16.133 6.637 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.756 -17.000 9.565 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.566 -16.270 8.462 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.227 -17.843 9.222 1.00 0.00 H new ATOM 653 N ASP A 44 0.875 -15.900 3.808 1.00 0.00 N ATOM 654 CA ASP A 44 1.390 -15.451 2.521 1.00 0.00 C ATOM 655 C ASP A 44 1.428 -13.933 2.499 1.00 0.00 C ATOM 656 O ASP A 44 0.389 -13.290 2.594 1.00 0.00 O ATOM 657 CB ASP A 44 0.488 -15.970 1.404 1.00 0.00 C ATOM 658 CG ASP A 44 1.078 -15.597 0.052 1.00 0.00 C ATOM 659 OD1 ASP A 44 2.230 -15.927 -0.180 1.00 0.00 O ATOM 660 OD2 ASP A 44 0.373 -14.986 -0.732 1.00 0.00 O ATOM 0 H ASP A 44 -0.110 -15.688 3.968 1.00 0.00 H new ATOM 0 HA ASP A 44 2.398 -15.837 2.371 1.00 0.00 H new ATOM 0 HB2 ASP A 44 0.385 -17.052 1.480 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -0.511 -15.547 1.505 1.00 0.00 H new ATOM 665 N PHE A 45 2.619 -13.361 2.369 1.00 0.00 N ATOM 666 CA PHE A 45 2.756 -11.911 2.337 1.00 0.00 C ATOM 667 C PHE A 45 2.641 -11.420 0.904 1.00 0.00 C ATOM 668 O PHE A 45 3.315 -11.935 0.010 1.00 0.00 O ATOM 669 CB PHE A 45 4.106 -11.498 2.923 1.00 0.00 C ATOM 670 CG PHE A 45 4.151 -11.836 4.395 1.00 0.00 C ATOM 671 CD1 PHE A 45 3.468 -11.033 5.319 1.00 0.00 C ATOM 672 CD2 PHE A 45 4.877 -12.948 4.838 1.00 0.00 C ATOM 673 CE1 PHE A 45 3.511 -11.343 6.682 1.00 0.00 C ATOM 674 CE2 PHE A 45 4.921 -13.257 6.202 1.00 0.00 C ATOM 675 CZ PHE A 45 4.239 -12.455 7.123 1.00 0.00 C ATOM 0 H PHE A 45 3.496 -13.874 2.285 1.00 0.00 H new ATOM 0 HA PHE A 45 1.962 -11.464 2.935 1.00 0.00 H new ATOM 0 HB2 PHE A 45 4.912 -12.010 2.398 1.00 0.00 H new ATOM 0 HB3 PHE A 45 4.262 -10.429 2.781 1.00 0.00 H new ATOM 0 HD1 PHE A 45 2.908 -10.175 4.978 1.00 0.00 H new ATOM 0 HD2 PHE A 45 5.403 -13.567 4.127 1.00 0.00 H new ATOM 0 HE1 PHE A 45 2.983 -10.725 7.394 1.00 0.00 H new ATOM 0 HE2 PHE A 45 5.481 -14.115 6.544 1.00 0.00 H new ATOM 0 HZ PHE A 45 4.274 -12.694 8.176 1.00 0.00 H new ATOM 685 N VAL A 46 1.781 -10.430 0.685 1.00 0.00 N ATOM 686 CA VAL A 46 1.576 -9.876 -0.651 1.00 0.00 C ATOM 687 C VAL A 46 1.595 -8.359 -0.603 1.00 0.00 C ATOM 688 O VAL A 46 1.304 -7.759 0.432 1.00 0.00 O ATOM 689 CB VAL A 46 0.243 -10.360 -1.211 1.00 0.00 C ATOM 690 CG1 VAL A 46 0.279 -11.883 -1.373 1.00 0.00 C ATOM 691 CG2 VAL A 46 -0.879 -9.977 -0.244 1.00 0.00 C ATOM 0 H VAL A 46 1.215 -9.995 1.414 1.00 0.00 H new ATOM 0 HA VAL A 46 2.384 -10.215 -1.299 1.00 0.00 H new ATOM 0 HB VAL A 46 0.064 -9.897 -2.181 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -0.674 -12.229 -1.773 1.00 0.00 H new ATOM 0 HG12 VAL A 46 1.081 -12.157 -2.058 1.00 0.00 H new ATOM 0 HG13 VAL A 46 0.455 -12.348 -0.403 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -1.834 -10.321 -0.640 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -0.699 -10.443 0.725 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -0.904 -8.894 -0.127 1.00 0.00 H new ATOM 701 N CYS A 47 1.943 -7.746 -1.733 1.00 0.00 N ATOM 702 CA CYS A 47 2.011 -6.293 -1.825 1.00 0.00 C ATOM 703 C CYS A 47 0.708 -5.747 -2.382 1.00 0.00 C ATOM 704 O CYS A 47 0.329 -6.072 -3.510 1.00 0.00 O ATOM 705 CB CYS A 47 3.174 -5.884 -2.736 1.00 0.00 C ATOM 706 SG CYS A 47 3.157 -4.088 -2.968 1.00 0.00 S ATOM 0 H CYS A 47 2.182 -8.235 -2.596 1.00 0.00 H new ATOM 0 HA CYS A 47 2.173 -5.882 -0.829 1.00 0.00 H new ATOM 0 HB2 CYS A 47 4.121 -6.196 -2.296 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.089 -6.387 -3.699 1.00 0.00 H new ATOM 711 N VAL A 48 0.019 -4.924 -1.587 1.00 0.00 N ATOM 712 CA VAL A 48 -1.254 -4.348 -2.014 1.00 0.00 C ATOM 713 C VAL A 48 -1.256 -2.847 -1.790 1.00 0.00 C ATOM 714 O VAL A 48 -0.688 -2.353 -0.816 1.00 0.00 O ATOM 715 CB VAL A 48 -2.409 -4.991 -1.242 1.00 0.00 C ATOM 716 CG1 VAL A 48 -2.447 -4.448 0.190 1.00 0.00 C ATOM 717 CG2 VAL A 48 -3.730 -4.672 -1.943 1.00 0.00 C ATOM 0 H VAL A 48 0.320 -4.645 -0.653 1.00 0.00 H new ATOM 0 HA VAL A 48 -1.384 -4.545 -3.078 1.00 0.00 H new ATOM 0 HB VAL A 48 -2.262 -6.071 -1.211 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -3.272 -4.910 0.733 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -1.507 -4.679 0.692 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -2.589 -3.368 0.166 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -4.553 -5.130 -1.394 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -3.872 -3.592 -1.977 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -3.708 -5.067 -2.959 1.00 0.00 H new ATOM 727 N CYS A 49 -1.895 -2.125 -2.699 1.00 0.00 N ATOM 728 CA CYS A 49 -1.960 -0.676 -2.594 1.00 0.00 C ATOM 729 C CYS A 49 -3.278 -0.263 -1.972 1.00 0.00 C ATOM 730 O CYS A 49 -4.189 -1.081 -1.839 1.00 0.00 O ATOM 731 CB CYS A 49 -1.814 -0.033 -3.974 1.00 0.00 C ATOM 732 SG CYS A 49 -0.529 -0.883 -4.918 1.00 0.00 S ATOM 0 H CYS A 49 -2.372 -2.516 -3.511 1.00 0.00 H new ATOM 0 HA CYS A 49 -1.141 -0.335 -1.961 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -2.762 -0.081 -4.509 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -1.561 1.022 -3.868 1.00 0.00 H new ATOM 737 N PHE A 50 -3.372 1.010 -1.578 1.00 0.00 N ATOM 738 CA PHE A 50 -4.590 1.521 -0.953 1.00 0.00 C ATOM 739 C PHE A 50 -5.150 2.705 -1.748 1.00 0.00 C ATOM 740 O PHE A 50 -4.391 3.525 -2.265 1.00 0.00 O ATOM 741 CB PHE A 50 -4.289 1.973 0.482 1.00 0.00 C ATOM 742 CG PHE A 50 -4.235 0.769 1.390 1.00 0.00 C ATOM 743 CD1 PHE A 50 -5.413 0.269 1.958 1.00 0.00 C ATOM 744 CD2 PHE A 50 -3.010 0.153 1.658 1.00 0.00 C ATOM 745 CE1 PHE A 50 -5.362 -0.853 2.797 1.00 0.00 C ATOM 746 CE2 PHE A 50 -2.957 -0.965 2.495 1.00 0.00 C ATOM 747 CZ PHE A 50 -4.132 -1.468 3.067 1.00 0.00 C ATOM 0 H PHE A 50 -2.626 1.698 -1.680 1.00 0.00 H new ATOM 0 HA PHE A 50 -5.330 0.721 -0.940 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -3.340 2.508 0.514 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -5.058 2.666 0.825 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -6.359 0.747 1.750 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -2.103 0.541 1.218 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -6.269 -1.243 3.235 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -2.010 -1.441 2.701 1.00 0.00 H new ATOM 0 HZ PHE A 50 -4.090 -2.330 3.716 1.00 0.00 H new ATOM 757 N PRO A 51 -6.454 2.815 -1.845 1.00 0.00 N ATOM 758 CA PRO A 51 -7.114 3.933 -2.587 1.00 0.00 C ATOM 759 C PRO A 51 -6.869 5.283 -1.912 1.00 0.00 C ATOM 760 O PRO A 51 -6.824 5.376 -0.686 1.00 0.00 O ATOM 761 CB PRO A 51 -8.611 3.557 -2.566 1.00 0.00 C ATOM 762 CG PRO A 51 -8.766 2.632 -1.407 1.00 0.00 C ATOM 763 CD PRO A 51 -7.444 1.895 -1.261 1.00 0.00 C ATOM 0 HA PRO A 51 -6.723 4.048 -3.598 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -9.237 4.441 -2.450 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -8.909 3.075 -3.497 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -9.004 3.185 -0.498 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -9.584 1.932 -1.577 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -7.221 1.680 -0.216 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -7.460 0.940 -1.787 1.00 0.00 H new ATOM 771 N LYS A 52 -6.722 6.327 -2.722 1.00 0.00 N ATOM 772 CA LYS A 52 -6.500 7.672 -2.197 1.00 0.00 C ATOM 773 C LYS A 52 -7.826 8.407 -2.059 1.00 0.00 C ATOM 774 O LYS A 52 -8.293 8.654 -0.951 1.00 0.00 O ATOM 775 CB LYS A 52 -5.575 8.449 -3.126 1.00 0.00 C ATOM 776 CG LYS A 52 -4.159 7.886 -3.017 1.00 0.00 C ATOM 777 CD LYS A 52 -3.205 8.711 -3.889 1.00 0.00 C ATOM 778 CE LYS A 52 -3.558 8.532 -5.372 1.00 0.00 C ATOM 779 NZ LYS A 52 -2.377 8.881 -6.206 1.00 0.00 N ATOM 0 H LYS A 52 -6.752 6.269 -3.740 1.00 0.00 H new ATOM 0 HA LYS A 52 -6.035 7.592 -1.215 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -5.929 8.376 -4.154 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -5.579 9.506 -2.861 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -3.828 7.907 -1.979 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -4.147 6.843 -3.334 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -3.270 9.764 -3.616 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -2.176 8.399 -3.712 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -3.861 7.503 -5.563 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -4.404 9.167 -5.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -2.614 8.760 -7.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -2.108 9.870 -6.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -1.582 8.257 -5.961 1.00 0.00 H new ATOM 793 N TYR A 53 -8.431 8.756 -3.196 1.00 0.00 N ATOM 794 CA TYR A 53 -9.711 9.468 -3.194 1.00 0.00 C ATOM 795 C TYR A 53 -10.701 8.788 -4.135 1.00 0.00 C ATOM 796 O TYR A 53 -11.520 9.451 -4.766 1.00 0.00 O ATOM 797 CB TYR A 53 -9.499 10.918 -3.641 1.00 0.00 C ATOM 798 CG TYR A 53 -8.433 11.557 -2.783 1.00 0.00 C ATOM 799 CD1 TYR A 53 -8.774 12.151 -1.562 1.00 0.00 C ATOM 800 CD2 TYR A 53 -7.102 11.553 -3.211 1.00 0.00 C ATOM 801 CE1 TYR A 53 -7.782 12.742 -0.770 1.00 0.00 C ATOM 802 CE2 TYR A 53 -6.110 12.141 -2.420 1.00 0.00 C ATOM 803 CZ TYR A 53 -6.448 12.737 -1.199 1.00 0.00 C ATOM 804 OH TYR A 53 -5.471 13.320 -0.420 1.00 0.00 O ATOM 0 H TYR A 53 -8.058 8.559 -4.125 1.00 0.00 H new ATOM 0 HA TYR A 53 -10.115 9.452 -2.182 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -9.203 10.947 -4.690 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -10.432 11.476 -3.557 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -9.802 12.153 -1.231 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -6.840 11.095 -4.153 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -8.045 13.202 0.171 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -5.082 12.135 -2.751 1.00 0.00 H new ATOM 0 HH TYR A 53 -4.602 13.228 -0.863 1.00 0.00 H new ATOM 814 N TYR A 54 -10.620 7.462 -4.225 1.00 0.00 N ATOM 815 CA TYR A 54 -11.513 6.707 -5.092 1.00 0.00 C ATOM 816 C TYR A 54 -12.960 6.882 -4.647 1.00 0.00 C ATOM 817 O TYR A 54 -13.272 6.755 -3.464 1.00 0.00 O ATOM 818 CB TYR A 54 -11.145 5.224 -5.047 1.00 0.00 C ATOM 819 CG TYR A 54 -11.892 4.488 -6.131 1.00 0.00 C ATOM 820 CD1 TYR A 54 -11.446 4.555 -7.454 1.00 0.00 C ATOM 821 CD2 TYR A 54 -13.033 3.739 -5.814 1.00 0.00 C ATOM 822 CE1 TYR A 54 -12.138 3.875 -8.462 1.00 0.00 C ATOM 823 CE2 TYR A 54 -13.725 3.058 -6.821 1.00 0.00 C ATOM 824 CZ TYR A 54 -13.279 3.127 -8.145 1.00 0.00 C ATOM 825 OH TYR A 54 -13.961 2.455 -9.141 1.00 0.00 O ATOM 0 H TYR A 54 -9.948 6.893 -3.710 1.00 0.00 H new ATOM 0 HA TYR A 54 -11.407 7.081 -6.110 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -10.071 5.101 -5.183 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -11.393 4.806 -4.071 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -10.566 5.132 -7.698 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -13.378 3.687 -4.792 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -11.793 3.927 -9.484 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -14.603 2.479 -6.576 1.00 0.00 H new ATOM 0 HH TYR A 54 -14.728 1.984 -8.752 1.00 0.00 H new ATOM 835 N ILE A 55 -13.837 7.177 -5.603 1.00 0.00 N ATOM 836 CA ILE A 55 -15.258 7.372 -5.304 1.00 0.00 C ATOM 837 C ILE A 55 -16.118 6.901 -6.473 1.00 0.00 C ATOM 838 O ILE A 55 -17.253 6.527 -6.231 1.00 0.00 O ATOM 839 CB ILE A 55 -15.530 8.862 -5.024 1.00 0.00 C ATOM 840 CG1 ILE A 55 -14.667 9.727 -5.964 1.00 0.00 C ATOM 841 CG2 ILE A 55 -15.184 9.189 -3.566 1.00 0.00 C ATOM 842 CD1 ILE A 55 -15.288 11.119 -6.096 1.00 0.00 C ATOM 843 OXT ILE A 55 -15.629 6.918 -7.590 1.00 0.00 O ATOM 0 H ILE A 55 -13.593 7.286 -6.587 1.00 0.00 H new ATOM 0 HA ILE A 55 -15.515 6.784 -4.423 1.00 0.00 H new ATOM 0 HB ILE A 55 -16.585 9.074 -5.198 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -13.653 9.806 -5.573 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -14.595 9.256 -6.944 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -15.378 10.244 -3.374 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -15.797 8.580 -2.901 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -14.131 8.975 -3.385 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -14.676 11.729 -6.761 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -16.294 11.031 -6.507 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -15.337 11.590 -5.114 1.00 0.00 H new TER 855 ILE A 55