USER MOD reduce.3.24.130724 H: found=0, std=0, add=336, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 339 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 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot -80:sc= 1.23 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= 0.803 K(o=0.8,f=0) USER MOD Single : A 98 ASN : amide:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 106 GLN : amide:sc= 0.867 K(o=0.87,f=-0.038) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 71 -7.379 7.177 8.773 1.00 1.00 N ATOM 2 CA MET A 71 -6.615 7.325 7.496 1.00 1.00 C ATOM 3 C MET A 71 -6.953 8.659 6.810 1.00 1.00 C ATOM 4 O MET A 71 -8.098 9.106 6.861 1.00 1.00 O ATOM 5 CB MET A 71 -6.860 6.120 6.554 1.00 1.00 C ATOM 6 CG MET A 71 -5.943 6.090 5.320 1.00 1.00 C ATOM 7 SD MET A 71 -4.165 6.083 5.682 1.00 1.00 S ATOM 8 CE MET A 71 -3.513 6.129 3.992 1.00 1.00 C ATOM 0 HA MET A 71 -5.552 7.336 7.736 1.00 1.00 H new ATOM 0 HB2 MET A 71 -6.722 5.198 7.118 1.00 1.00 H new ATOM 0 HB3 MET A 71 -7.898 6.138 6.222 1.00 1.00 H new ATOM 0 HG2 MET A 71 -6.181 5.204 4.731 1.00 1.00 H new ATOM 0 HG3 MET A 71 -6.168 6.957 4.698 1.00 1.00 H new ATOM 0 HE1 MET A 71 -2.423 6.130 4.022 1.00 1.00 H new ATOM 0 HE2 MET A 71 -3.860 5.253 3.444 1.00 1.00 H new ATOM 0 HE3 MET A 71 -3.863 7.032 3.492 1.00 1.00 H new ATOM 20 N SER A 72 -5.966 9.312 6.181 1.00 1.00 N ATOM 21 CA SER A 72 -6.105 10.645 5.553 1.00 1.00 C ATOM 22 C SER A 72 -7.063 10.703 4.350 1.00 1.00 C ATOM 23 O SER A 72 -7.700 11.733 4.119 1.00 1.00 O ATOM 24 CB SER A 72 -4.722 11.147 5.120 1.00 1.00 C ATOM 25 OG SER A 72 -4.109 10.204 4.246 1.00 1.00 O ATOM 0 H SER A 72 -5.027 8.925 6.089 1.00 1.00 H new ATOM 0 HA SER A 72 -6.550 11.284 6.316 1.00 1.00 H new ATOM 0 HB2 SER A 72 -4.817 12.110 4.619 1.00 1.00 H new ATOM 0 HB3 SER A 72 -4.093 11.304 5.996 1.00 1.00 H new ATOM 0 HG SER A 72 -3.228 10.535 3.974 1.00 1.00 H new ATOM 31 N THR A 73 -7.196 9.600 3.606 1.00 1.00 N ATOM 32 CA THR A 73 -8.098 9.443 2.444 1.00 1.00 C ATOM 33 C THR A 73 -8.767 8.059 2.408 1.00 1.00 C ATOM 34 O THR A 73 -8.351 7.137 3.111 1.00 1.00 O ATOM 35 CB THR A 73 -7.381 9.709 1.112 1.00 1.00 C ATOM 36 OG1 THR A 73 -6.400 8.731 0.828 1.00 1.00 O ATOM 37 CG2 THR A 73 -6.725 11.088 1.003 1.00 1.00 C ATOM 0 H THR A 73 -6.660 8.754 3.799 1.00 1.00 H new ATOM 0 HA THR A 73 -8.876 10.196 2.572 1.00 1.00 H new ATOM 0 HB THR A 73 -8.187 9.665 0.380 1.00 1.00 H new ATOM 0 HG1 THR A 73 -5.970 8.938 -0.028 1.00 1.00 H new ATOM 0 HG21 THR A 73 -6.244 11.186 0.030 1.00 1.00 H new ATOM 0 HG22 THR A 73 -7.485 11.862 1.112 1.00 1.00 H new ATOM 0 HG23 THR A 73 -5.979 11.199 1.790 1.00 1.00 H new ATOM 45 N VAL A 74 -9.810 7.904 1.582 1.00 1.00 N ATOM 46 CA VAL A 74 -10.543 6.640 1.349 1.00 1.00 C ATOM 47 C VAL A 74 -10.909 6.479 -0.139 1.00 1.00 C ATOM 48 O VAL A 74 -10.986 7.484 -0.852 1.00 1.00 O ATOM 49 CB VAL A 74 -11.823 6.549 2.218 1.00 1.00 C ATOM 50 CG1 VAL A 74 -11.497 6.407 3.710 1.00 1.00 C ATOM 51 CG2 VAL A 74 -12.779 7.738 2.045 1.00 1.00 C ATOM 0 H VAL A 74 -10.185 8.679 1.035 1.00 1.00 H new ATOM 0 HA VAL A 74 -9.876 5.828 1.640 1.00 1.00 H new ATOM 0 HB VAL A 74 -12.326 5.653 1.856 1.00 1.00 H new ATOM 0 HG11 VAL A 74 -12.424 6.347 4.281 1.00 1.00 H new ATOM 0 HG12 VAL A 74 -10.913 5.501 3.870 1.00 1.00 H new ATOM 0 HG13 VAL A 74 -10.923 7.272 4.041 1.00 1.00 H new ATOM 0 HG21 VAL A 74 -13.650 7.601 2.686 1.00 1.00 H new ATOM 0 HG22 VAL A 74 -12.267 8.660 2.321 1.00 1.00 H new ATOM 0 HG23 VAL A 74 -13.100 7.799 1.005 1.00 1.00 H new ATOM 61 N PRO A 75 -11.138 5.246 -0.642 1.00 1.00 N ATOM 62 CA PRO A 75 -11.631 5.002 -2.004 1.00 1.00 C ATOM 63 C PRO A 75 -12.892 5.802 -2.392 1.00 1.00 C ATOM 64 O PRO A 75 -13.735 6.124 -1.551 1.00 1.00 O ATOM 65 CB PRO A 75 -11.890 3.498 -2.084 1.00 1.00 C ATOM 66 CG PRO A 75 -10.920 2.912 -1.064 1.00 1.00 C ATOM 67 CD PRO A 75 -10.904 3.973 0.033 1.00 1.00 C ATOM 0 HA PRO A 75 -10.884 5.346 -2.719 1.00 1.00 H new ATOM 0 HB2 PRO A 75 -12.924 3.256 -1.839 1.00 1.00 H new ATOM 0 HB3 PRO A 75 -11.701 3.111 -3.085 1.00 1.00 H new ATOM 0 HG2 PRO A 75 -11.261 1.947 -0.689 1.00 1.00 H new ATOM 0 HG3 PRO A 75 -9.929 2.756 -1.491 1.00 1.00 H new ATOM 0 HD2 PRO A 75 -11.676 3.777 0.777 1.00 1.00 H new ATOM 0 HD3 PRO A 75 -9.949 3.978 0.558 1.00 1.00 H new ATOM 75 N LYS A 76 -13.039 6.042 -3.700 1.00 1.00 N ATOM 76 CA LYS A 76 -14.202 6.686 -4.344 1.00 1.00 C ATOM 77 C LYS A 76 -14.797 5.844 -5.478 1.00 1.00 C ATOM 78 O LYS A 76 -16.013 5.829 -5.645 1.00 1.00 O ATOM 79 CB LYS A 76 -13.836 8.090 -4.846 1.00 1.00 C ATOM 80 CG LYS A 76 -13.521 9.102 -3.732 1.00 1.00 C ATOM 81 CD LYS A 76 -13.304 10.492 -4.354 1.00 1.00 C ATOM 82 CE LYS A 76 -12.811 11.550 -3.351 1.00 1.00 C ATOM 83 NZ LYS A 76 -13.860 11.946 -2.366 1.00 1.00 N ATOM 0 H LYS A 76 -12.319 5.782 -4.375 1.00 1.00 H new ATOM 0 HA LYS A 76 -14.974 6.772 -3.580 1.00 1.00 H new ATOM 0 HB2 LYS A 76 -12.971 8.013 -5.505 1.00 1.00 H new ATOM 0 HB3 LYS A 76 -14.661 8.474 -5.446 1.00 1.00 H new ATOM 0 HG2 LYS A 76 -14.340 9.136 -3.014 1.00 1.00 H new ATOM 0 HG3 LYS A 76 -12.630 8.793 -3.185 1.00 1.00 H new ATOM 0 HD2 LYS A 76 -12.580 10.408 -5.165 1.00 1.00 H new ATOM 0 HD3 LYS A 76 -14.240 10.832 -4.796 1.00 1.00 H new ATOM 0 HE2 LYS A 76 -11.945 11.161 -2.816 1.00 1.00 H new ATOM 0 HE3 LYS A 76 -12.479 12.434 -3.896 1.00 1.00 H new ATOM 0 HZ1 LYS A 76 -13.474 12.660 -1.716 1.00 1.00 H new ATOM 0 HZ2 LYS A 76 -14.678 12.344 -2.871 1.00 1.00 H new ATOM 0 HZ3 LYS A 76 -14.160 11.111 -1.824 1.00 1.00 H new ATOM 97 N TYR A 77 -13.976 5.082 -6.201 1.00 1.00 N ATOM 98 CA TYR A 77 -14.378 4.300 -7.380 1.00 1.00 C ATOM 99 C TYR A 77 -13.778 2.889 -7.333 1.00 1.00 C ATOM 100 O TYR A 77 -12.668 2.712 -6.823 1.00 1.00 O ATOM 101 CB TYR A 77 -13.912 5.010 -8.664 1.00 1.00 C ATOM 102 CG TYR A 77 -14.274 6.478 -8.811 1.00 1.00 C ATOM 103 CD1 TYR A 77 -13.480 7.452 -8.182 1.00 1.00 C ATOM 104 CD2 TYR A 77 -15.328 6.882 -9.653 1.00 1.00 C ATOM 105 CE1 TYR A 77 -13.748 8.821 -8.369 1.00 1.00 C ATOM 106 CE2 TYR A 77 -15.569 8.250 -9.884 1.00 1.00 C ATOM 107 CZ TYR A 77 -14.789 9.227 -9.229 1.00 1.00 C ATOM 108 OH TYR A 77 -15.025 10.556 -9.423 1.00 1.00 O ATOM 0 H TYR A 77 -12.985 4.986 -5.980 1.00 1.00 H new ATOM 0 HA TYR A 77 -15.465 4.218 -7.378 1.00 1.00 H new ATOM 0 HB2 TYR A 77 -12.827 4.921 -8.726 1.00 1.00 H new ATOM 0 HB3 TYR A 77 -14.325 4.472 -9.517 1.00 1.00 H new ATOM 0 HD1 TYR A 77 -12.658 7.148 -7.551 1.00 1.00 H new ATOM 0 HD2 TYR A 77 -15.955 6.139 -10.124 1.00 1.00 H new ATOM 0 HE1 TYR A 77 -13.155 9.562 -7.853 1.00 1.00 H new ATOM 0 HE2 TYR A 77 -16.352 8.552 -10.564 1.00 1.00 H new ATOM 0 HH TYR A 77 -15.775 10.668 -10.044 1.00 1.00 H new ATOM 118 N ARG A 78 -14.473 1.898 -7.906 1.00 1.00 N ATOM 119 CA ARG A 78 -13.982 0.517 -8.060 1.00 1.00 C ATOM 120 C ARG A 78 -14.493 -0.130 -9.350 1.00 1.00 C ATOM 121 O ARG A 78 -15.694 -0.336 -9.514 1.00 1.00 O ATOM 122 CB ARG A 78 -14.360 -0.321 -6.824 1.00 1.00 C ATOM 123 CG ARG A 78 -13.615 -1.667 -6.837 1.00 1.00 C ATOM 124 CD ARG A 78 -13.763 -2.432 -5.517 1.00 1.00 C ATOM 125 NE ARG A 78 -12.735 -3.488 -5.410 1.00 1.00 N ATOM 126 CZ ARG A 78 -12.662 -4.458 -4.516 1.00 1.00 C ATOM 127 NH1 ARG A 78 -13.565 -4.623 -3.592 1.00 1.00 N ATOM 128 NH2 ARG A 78 -11.657 -5.284 -4.537 1.00 1.00 N ATOM 0 H ARG A 78 -15.411 2.033 -8.284 1.00 1.00 H new ATOM 0 HA ARG A 78 -12.895 0.552 -8.137 1.00 1.00 H new ATOM 0 HB2 ARG A 78 -14.114 0.229 -5.916 1.00 1.00 H new ATOM 0 HB3 ARG A 78 -15.436 -0.494 -6.810 1.00 1.00 H new ATOM 0 HG2 ARG A 78 -13.995 -2.281 -7.654 1.00 1.00 H new ATOM 0 HG3 ARG A 78 -12.558 -1.492 -7.035 1.00 1.00 H new ATOM 0 HD2 ARG A 78 -13.672 -1.742 -4.678 1.00 1.00 H new ATOM 0 HD3 ARG A 78 -14.756 -2.877 -5.457 1.00 1.00 H new ATOM 0 HE ARG A 78 -11.993 -3.465 -6.110 1.00 1.00 H new ATOM 0 HH11 ARG A 78 -14.364 -3.991 -3.541 1.00 1.00 H new ATOM 0 HH12 ARG A 78 -13.473 -5.384 -2.919 1.00 1.00 H new ATOM 0 HH21 ARG A 78 -10.928 -5.182 -5.243 1.00 1.00 H new ATOM 0 HH22 ARG A 78 -11.598 -6.034 -3.848 1.00 1.00 H new ATOM 142 N ASP A 79 -13.574 -0.469 -10.248 1.00 1.00 N ATOM 143 CA ASP A 79 -13.840 -1.118 -11.534 1.00 1.00 C ATOM 144 C ASP A 79 -14.441 -2.533 -11.352 1.00 1.00 C ATOM 145 O ASP A 79 -13.775 -3.397 -10.768 1.00 1.00 O ATOM 146 CB ASP A 79 -12.522 -1.232 -12.305 1.00 1.00 C ATOM 147 CG ASP A 79 -12.713 -2.042 -13.592 1.00 1.00 C ATOM 148 OD1 ASP A 79 -13.514 -1.625 -14.463 1.00 1.00 O ATOM 149 OD2 ASP A 79 -12.097 -3.126 -13.701 1.00 1.00 O ATOM 0 H ASP A 79 -12.581 -0.293 -10.096 1.00 1.00 H new ATOM 0 HA ASP A 79 -14.565 -0.514 -12.079 1.00 1.00 H new ATOM 0 HB2 ASP A 79 -12.150 -0.237 -12.548 1.00 1.00 H new ATOM 0 HB3 ASP A 79 -11.769 -1.709 -11.678 1.00 1.00 H new ATOM 154 N PRO A 80 -15.657 -2.829 -11.855 1.00 1.00 N ATOM 155 CA PRO A 80 -16.290 -4.139 -11.677 1.00 1.00 C ATOM 156 C PRO A 80 -15.646 -5.266 -12.509 1.00 1.00 C ATOM 157 O PRO A 80 -15.790 -6.440 -12.159 1.00 1.00 O ATOM 158 CB PRO A 80 -17.758 -3.927 -12.062 1.00 1.00 C ATOM 159 CG PRO A 80 -17.701 -2.781 -13.067 1.00 1.00 C ATOM 160 CD PRO A 80 -16.566 -1.914 -12.527 1.00 1.00 C ATOM 0 HA PRO A 80 -16.168 -4.478 -10.648 1.00 1.00 H new ATOM 0 HB2 PRO A 80 -18.191 -4.825 -12.502 1.00 1.00 H new ATOM 0 HB3 PRO A 80 -18.367 -3.671 -11.195 1.00 1.00 H new ATOM 0 HG2 PRO A 80 -17.493 -3.138 -14.076 1.00 1.00 H new ATOM 0 HG3 PRO A 80 -18.643 -2.234 -13.110 1.00 1.00 H new ATOM 0 HD2 PRO A 80 -16.061 -1.383 -13.334 1.00 1.00 H new ATOM 0 HD3 PRO A 80 -16.944 -1.160 -11.837 1.00 1.00 H new ATOM 168 N ALA A 81 -14.938 -4.942 -13.600 1.00 1.00 N ATOM 169 CA ALA A 81 -14.327 -5.929 -14.495 1.00 1.00 C ATOM 170 C ALA A 81 -13.048 -6.583 -13.923 1.00 1.00 C ATOM 171 O ALA A 81 -12.773 -7.750 -14.218 1.00 1.00 O ATOM 172 CB ALA A 81 -14.053 -5.243 -15.839 1.00 1.00 C ATOM 0 H ALA A 81 -14.773 -3.977 -13.887 1.00 1.00 H new ATOM 0 HA ALA A 81 -15.026 -6.757 -14.619 1.00 1.00 H new ATOM 0 HB1 ALA A 81 -13.597 -5.957 -16.525 1.00 1.00 H new ATOM 0 HB2 ALA A 81 -14.991 -4.882 -16.261 1.00 1.00 H new ATOM 0 HB3 ALA A 81 -13.376 -4.402 -15.687 1.00 1.00 H new ATOM 178 N THR A 82 -12.284 -5.858 -13.095 1.00 1.00 N ATOM 179 CA THR A 82 -10.966 -6.284 -12.574 1.00 1.00 C ATOM 180 C THR A 82 -10.782 -6.102 -11.061 1.00 1.00 C ATOM 181 O THR A 82 -9.863 -6.688 -10.486 1.00 1.00 O ATOM 182 CB THR A 82 -9.815 -5.570 -13.282 1.00 1.00 C ATOM 183 OG1 THR A 82 -9.814 -4.184 -13.025 1.00 1.00 O ATOM 184 CG2 THR A 82 -9.842 -5.821 -14.786 1.00 1.00 C ATOM 0 H THR A 82 -12.566 -4.938 -12.758 1.00 1.00 H new ATOM 0 HA THR A 82 -10.944 -7.354 -12.783 1.00 1.00 H new ATOM 0 HB THR A 82 -8.895 -5.990 -12.875 1.00 1.00 H new ATOM 0 HG1 THR A 82 -10.471 -3.744 -13.604 1.00 1.00 H new ATOM 0 HG21 THR A 82 -9.010 -5.298 -15.257 1.00 1.00 H new ATOM 0 HG22 THR A 82 -9.754 -6.890 -14.978 1.00 1.00 H new ATOM 0 HG23 THR A 82 -10.781 -5.454 -15.199 1.00 1.00 H new ATOM 192 N GLY A 83 -11.628 -5.305 -10.402 1.00 1.00 N ATOM 193 CA GLY A 83 -11.573 -5.033 -8.957 1.00 1.00 C ATOM 194 C GLY A 83 -10.673 -3.855 -8.551 1.00 1.00 C ATOM 195 O GLY A 83 -10.616 -3.542 -7.358 1.00 1.00 O ATOM 0 H GLY A 83 -12.392 -4.816 -10.869 1.00 1.00 H new ATOM 0 HA2 GLY A 83 -12.584 -4.837 -8.601 1.00 1.00 H new ATOM 0 HA3 GLY A 83 -11.223 -5.930 -8.447 1.00 1.00 H new ATOM 199 N LYS A 84 -9.988 -3.205 -9.504 1.00 1.00 N ATOM 200 CA LYS A 84 -9.112 -2.030 -9.287 1.00 1.00 C ATOM 201 C LYS A 84 -9.871 -0.842 -8.682 1.00 1.00 C ATOM 202 O LYS A 84 -11.046 -0.642 -8.975 1.00 1.00 O ATOM 203 CB LYS A 84 -8.465 -1.627 -10.623 1.00 1.00 C ATOM 204 CG LYS A 84 -7.414 -2.663 -11.040 1.00 1.00 C ATOM 205 CD LYS A 84 -6.773 -2.290 -12.384 1.00 1.00 C ATOM 206 CE LYS A 84 -5.753 -3.362 -12.795 1.00 1.00 C ATOM 207 NZ LYS A 84 -5.103 -3.037 -14.095 1.00 1.00 N ATOM 0 H LYS A 84 -10.026 -3.488 -10.483 1.00 1.00 H new ATOM 0 HA LYS A 84 -8.342 -2.312 -8.569 1.00 1.00 H new ATOM 0 HB2 LYS A 84 -9.230 -1.544 -11.395 1.00 1.00 H new ATOM 0 HB3 LYS A 84 -8.000 -0.646 -10.528 1.00 1.00 H new ATOM 0 HG2 LYS A 84 -6.643 -2.732 -10.273 1.00 1.00 H new ATOM 0 HG3 LYS A 84 -7.878 -3.646 -11.115 1.00 1.00 H new ATOM 0 HD2 LYS A 84 -7.543 -2.196 -13.150 1.00 1.00 H new ATOM 0 HD3 LYS A 84 -6.282 -1.320 -12.305 1.00 1.00 H new ATOM 0 HE2 LYS A 84 -4.991 -3.455 -12.021 1.00 1.00 H new ATOM 0 HE3 LYS A 84 -6.251 -4.329 -12.869 1.00 1.00 H new ATOM 0 HZ1 LYS A 84 -4.421 -3.784 -14.339 1.00 1.00 H new ATOM 0 HZ2 LYS A 84 -5.827 -2.973 -14.839 1.00 1.00 H new ATOM 0 HZ3 LYS A 84 -4.606 -2.127 -14.017 1.00 1.00 H new ATOM 221 N THR A 85 -9.192 -0.024 -7.881 1.00 1.00 N ATOM 222 CA THR A 85 -9.780 1.100 -7.115 1.00 1.00 C ATOM 223 C THR A 85 -9.100 2.442 -7.399 1.00 1.00 C ATOM 224 O THR A 85 -7.948 2.494 -7.837 1.00 1.00 O ATOM 225 CB THR A 85 -9.711 0.841 -5.596 1.00 1.00 C ATOM 226 OG1 THR A 85 -8.403 0.459 -5.212 1.00 1.00 O ATOM 227 CG2 THR A 85 -10.673 -0.257 -5.146 1.00 1.00 C ATOM 0 H THR A 85 -8.187 -0.118 -7.735 1.00 1.00 H new ATOM 0 HA THR A 85 -10.817 1.158 -7.446 1.00 1.00 H new ATOM 0 HB THR A 85 -9.996 1.778 -5.118 1.00 1.00 H new ATOM 0 HG1 THR A 85 -8.379 0.301 -4.245 1.00 1.00 H new ATOM 0 HG21 THR A 85 -10.584 -0.399 -4.069 1.00 1.00 H new ATOM 0 HG22 THR A 85 -11.695 0.032 -5.391 1.00 1.00 H new ATOM 0 HG23 THR A 85 -10.427 -1.188 -5.657 1.00 1.00 H new ATOM 235 N TRP A 86 -9.811 3.542 -7.115 1.00 1.00 N ATOM 236 CA TRP A 86 -9.276 4.912 -7.135 1.00 1.00 C ATOM 237 C TRP A 86 -9.959 5.799 -6.081 1.00 1.00 C ATOM 238 O TRP A 86 -11.063 5.488 -5.632 1.00 1.00 O ATOM 239 CB TRP A 86 -9.388 5.484 -8.555 1.00 1.00 C ATOM 240 CG TRP A 86 -8.680 6.791 -8.765 1.00 1.00 C ATOM 241 CD1 TRP A 86 -7.359 7.006 -8.570 1.00 1.00 C ATOM 242 CD2 TRP A 86 -9.235 8.084 -9.153 1.00 1.00 C ATOM 243 NE1 TRP A 86 -7.073 8.341 -8.774 1.00 1.00 N ATOM 244 CE2 TRP A 86 -8.192 9.056 -9.127 1.00 1.00 C ATOM 245 CE3 TRP A 86 -10.523 8.540 -9.491 1.00 1.00 C ATOM 246 CZ2 TRP A 86 -8.423 10.417 -9.387 1.00 1.00 C ATOM 247 CZ3 TRP A 86 -10.776 9.902 -9.729 1.00 1.00 C ATOM 248 CH2 TRP A 86 -9.734 10.840 -9.665 1.00 1.00 C ATOM 0 H TRP A 86 -10.798 3.504 -6.859 1.00 1.00 H new ATOM 0 HA TRP A 86 -8.220 4.890 -6.864 1.00 1.00 H new ATOM 0 HB2 TRP A 86 -8.989 4.753 -9.258 1.00 1.00 H new ATOM 0 HB3 TRP A 86 -10.443 5.615 -8.796 1.00 1.00 H new ATOM 0 HD1 TRP A 86 -6.638 6.249 -8.297 1.00 1.00 H new ATOM 0 HE1 TRP A 86 -6.143 8.748 -8.675 1.00 1.00 H new ATOM 0 HE3 TRP A 86 -11.333 7.830 -9.569 1.00 1.00 H new ATOM 0 HZ2 TRP A 86 -7.608 11.125 -9.373 1.00 1.00 H new ATOM 0 HZ3 TRP A 86 -11.779 10.229 -9.963 1.00 1.00 H new ATOM 0 HH2 TRP A 86 -9.940 11.887 -9.829 1.00 1.00 H new ATOM 259 N SER A 87 -9.330 6.911 -5.692 1.00 1.00 N ATOM 260 CA SER A 87 -9.728 7.738 -4.532 1.00 1.00 C ATOM 261 C SER A 87 -9.718 9.265 -4.726 1.00 1.00 C ATOM 262 O SER A 87 -9.918 9.998 -3.756 1.00 1.00 O ATOM 263 CB SER A 87 -8.789 7.377 -3.369 1.00 1.00 C ATOM 264 OG SER A 87 -7.436 7.627 -3.737 1.00 1.00 O ATOM 0 H SER A 87 -8.512 7.276 -6.180 1.00 1.00 H new ATOM 0 HA SER A 87 -10.777 7.504 -4.350 1.00 1.00 H new ATOM 0 HB2 SER A 87 -9.048 7.962 -2.487 1.00 1.00 H new ATOM 0 HB3 SER A 87 -8.914 6.327 -3.103 1.00 1.00 H new ATOM 0 HG SER A 87 -6.846 7.396 -2.990 1.00 1.00 H new ATOM 270 N GLY A 88 -9.532 9.770 -5.951 1.00 1.00 N ATOM 271 CA GLY A 88 -9.638 11.210 -6.243 1.00 1.00 C ATOM 272 C GLY A 88 -8.311 11.984 -6.304 1.00 1.00 C ATOM 273 O GLY A 88 -8.338 13.215 -6.395 1.00 1.00 O ATOM 0 H GLY A 88 -9.305 9.199 -6.765 1.00 1.00 H new ATOM 0 HA2 GLY A 88 -10.150 11.330 -7.198 1.00 1.00 H new ATOM 0 HA3 GLY A 88 -10.269 11.669 -5.482 1.00 1.00 H new ATOM 277 N ARG A 89 -7.158 11.294 -6.247 1.00 1.00 N ATOM 278 CA ARG A 89 -5.801 11.885 -6.260 1.00 1.00 C ATOM 279 C ARG A 89 -4.852 11.148 -7.217 1.00 1.00 C ATOM 280 O ARG A 89 -5.087 9.992 -7.574 1.00 1.00 O ATOM 281 CB ARG A 89 -5.220 11.909 -4.830 1.00 1.00 C ATOM 282 CG ARG A 89 -6.004 12.816 -3.872 1.00 1.00 C ATOM 283 CD ARG A 89 -5.285 12.947 -2.525 1.00 1.00 C ATOM 284 NE ARG A 89 -6.031 13.831 -1.607 1.00 1.00 N ATOM 285 CZ ARG A 89 -5.614 14.301 -0.443 1.00 1.00 C ATOM 286 NH1 ARG A 89 -4.452 13.984 0.057 1.00 1.00 N ATOM 287 NH2 ARG A 89 -6.369 15.099 0.253 1.00 1.00 N ATOM 0 H ARG A 89 -7.141 10.276 -6.189 1.00 1.00 H new ATOM 0 HA ARG A 89 -5.893 12.906 -6.629 1.00 1.00 H new ATOM 0 HB2 ARG A 89 -5.210 10.894 -4.432 1.00 1.00 H new ATOM 0 HB3 ARG A 89 -4.184 12.245 -4.872 1.00 1.00 H new ATOM 0 HG2 ARG A 89 -6.128 13.802 -4.319 1.00 1.00 H new ATOM 0 HG3 ARG A 89 -7.003 12.409 -3.717 1.00 1.00 H new ATOM 0 HD2 ARG A 89 -5.171 11.962 -2.073 1.00 1.00 H new ATOM 0 HD3 ARG A 89 -4.282 13.344 -2.682 1.00 1.00 H new ATOM 0 HE ARG A 89 -6.967 14.109 -1.902 1.00 1.00 H new ATOM 0 HH11 ARG A 89 -3.832 13.355 -0.453 1.00 1.00 H new ATOM 0 HH12 ARG A 89 -4.163 14.366 0.958 1.00 1.00 H new ATOM 0 HH21 ARG A 89 -7.289 15.366 -0.098 1.00 1.00 H new ATOM 0 HH22 ARG A 89 -6.041 15.458 1.150 1.00 1.00 H new ATOM 301 N GLY A 90 -3.774 11.818 -7.628 1.00 1.00 N ATOM 302 CA GLY A 90 -2.870 11.337 -8.683 1.00 1.00 C ATOM 303 C GLY A 90 -3.496 11.399 -10.087 1.00 1.00 C ATOM 304 O GLY A 90 -4.577 11.965 -10.280 1.00 1.00 O ATOM 0 H GLY A 90 -3.498 12.719 -7.236 1.00 1.00 H new ATOM 0 HA2 GLY A 90 -1.958 11.933 -8.672 1.00 1.00 H new ATOM 0 HA3 GLY A 90 -2.581 10.309 -8.465 1.00 1.00 H new ATOM 308 N ARG A 91 -2.806 10.828 -11.083 1.00 1.00 N ATOM 309 CA ARG A 91 -3.304 10.721 -12.470 1.00 1.00 C ATOM 310 C ARG A 91 -4.579 9.865 -12.548 1.00 1.00 C ATOM 311 O ARG A 91 -4.712 8.866 -11.839 1.00 1.00 O ATOM 312 CB ARG A 91 -2.220 10.161 -13.398 1.00 1.00 C ATOM 313 CG ARG A 91 -0.955 11.032 -13.449 1.00 1.00 C ATOM 314 CD ARG A 91 0.050 10.478 -14.470 1.00 1.00 C ATOM 315 NE ARG A 91 1.285 11.289 -14.506 1.00 1.00 N ATOM 316 CZ ARG A 91 1.529 12.359 -15.246 1.00 1.00 C ATOM 317 NH1 ARG A 91 0.647 12.852 -16.073 1.00 1.00 N ATOM 318 NH2 ARG A 91 2.680 12.964 -15.164 1.00 1.00 N ATOM 0 H ARG A 91 -1.879 10.423 -10.953 1.00 1.00 H new ATOM 0 HA ARG A 91 -3.559 11.727 -12.805 1.00 1.00 H new ATOM 0 HB2 ARG A 91 -1.950 9.159 -13.066 1.00 1.00 H new ATOM 0 HB3 ARG A 91 -2.627 10.064 -14.404 1.00 1.00 H new ATOM 0 HG2 ARG A 91 -1.223 12.055 -13.714 1.00 1.00 H new ATOM 0 HG3 ARG A 91 -0.494 11.069 -12.462 1.00 1.00 H new ATOM 0 HD2 ARG A 91 0.297 9.447 -14.217 1.00 1.00 H new ATOM 0 HD3 ARG A 91 -0.406 10.463 -15.460 1.00 1.00 H new ATOM 0 HE ARG A 91 2.038 10.989 -13.887 1.00 1.00 H new ATOM 0 HH11 ARG A 91 -0.268 12.411 -16.166 1.00 1.00 H new ATOM 0 HH12 ARG A 91 0.873 13.679 -16.626 1.00 1.00 H new ATOM 0 HH21 ARG A 91 3.396 12.613 -14.528 1.00 1.00 H new ATOM 0 HH22 ARG A 91 2.865 13.788 -15.736 1.00 1.00 H new ATOM 332 N GLN A 92 -5.507 10.244 -13.432 1.00 1.00 N ATOM 333 CA GLN A 92 -6.773 9.527 -13.649 1.00 1.00 C ATOM 334 C GLN A 92 -6.532 8.096 -14.189 1.00 1.00 C ATOM 335 O GLN A 92 -5.776 7.946 -15.158 1.00 1.00 O ATOM 336 CB GLN A 92 -7.623 10.324 -14.658 1.00 1.00 C ATOM 337 CG GLN A 92 -9.072 9.816 -14.737 1.00 1.00 C ATOM 338 CD GLN A 92 -9.684 10.021 -16.121 1.00 1.00 C ATOM 339 OE1 GLN A 92 -10.119 11.105 -16.490 1.00 1.00 O ATOM 340 NE2 GLN A 92 -9.740 8.987 -16.939 1.00 1.00 N ATOM 0 H GLN A 92 -5.401 11.067 -14.025 1.00 1.00 H new ATOM 0 HA GLN A 92 -7.291 9.437 -12.694 1.00 1.00 H new ATOM 0 HB2 GLN A 92 -7.625 11.377 -14.375 1.00 1.00 H new ATOM 0 HB3 GLN A 92 -7.165 10.260 -15.645 1.00 1.00 H new ATOM 0 HG2 GLN A 92 -9.097 8.756 -14.485 1.00 1.00 H new ATOM 0 HG3 GLN A 92 -9.678 10.335 -13.994 1.00 1.00 H new ATOM 0 HE21 GLN A 92 -9.380 8.080 -16.640 1.00 1.00 H new ATOM 0 HE22 GLN A 92 -10.143 9.094 -17.870 1.00 1.00 H new ATOM 349 N PRO A 93 -7.173 7.044 -13.635 1.00 1.00 N ATOM 350 CA PRO A 93 -7.165 5.707 -14.235 1.00 1.00 C ATOM 351 C PRO A 93 -7.782 5.693 -15.643 1.00 1.00 C ATOM 352 O PRO A 93 -8.722 6.442 -15.925 1.00 1.00 O ATOM 353 CB PRO A 93 -7.964 4.803 -13.288 1.00 1.00 C ATOM 354 CG PRO A 93 -8.048 5.579 -11.977 1.00 1.00 C ATOM 355 CD PRO A 93 -7.923 7.043 -12.388 1.00 1.00 C ATOM 0 HA PRO A 93 -6.139 5.360 -14.358 1.00 1.00 H new ATOM 0 HB2 PRO A 93 -8.957 4.593 -13.687 1.00 1.00 H new ATOM 0 HB3 PRO A 93 -7.468 3.843 -13.147 1.00 1.00 H new ATOM 0 HG2 PRO A 93 -8.991 5.390 -11.464 1.00 1.00 H new ATOM 0 HG3 PRO A 93 -7.250 5.290 -11.293 1.00 1.00 H new ATOM 0 HD2 PRO A 93 -8.905 7.496 -12.522 1.00 1.00 H new ATOM 0 HD3 PRO A 93 -7.407 7.621 -11.621 1.00 1.00 H new ATOM 363 N ALA A 94 -7.316 4.791 -16.513 1.00 1.00 N ATOM 364 CA ALA A 94 -7.852 4.645 -17.874 1.00 1.00 C ATOM 365 C ALA A 94 -9.324 4.177 -17.889 1.00 1.00 C ATOM 366 O ALA A 94 -10.150 4.738 -18.611 1.00 1.00 O ATOM 367 CB ALA A 94 -6.944 3.685 -18.655 1.00 1.00 C ATOM 0 H ALA A 94 -6.559 4.143 -16.296 1.00 1.00 H new ATOM 0 HA ALA A 94 -7.856 5.623 -18.355 1.00 1.00 H new ATOM 0 HB1 ALA A 94 -7.327 3.565 -19.668 1.00 1.00 H new ATOM 0 HB2 ALA A 94 -5.934 4.092 -18.695 1.00 1.00 H new ATOM 0 HB3 ALA A 94 -6.925 2.716 -18.157 1.00 1.00 H new ATOM 373 N TRP A 95 -9.676 3.200 -17.036 1.00 1.00 N ATOM 374 CA TRP A 95 -11.054 2.700 -16.875 1.00 1.00 C ATOM 375 C TRP A 95 -12.044 3.770 -16.394 1.00 1.00 C ATOM 376 O TRP A 95 -13.236 3.676 -16.690 1.00 1.00 O ATOM 377 CB TRP A 95 -11.077 1.485 -15.934 1.00 1.00 C ATOM 378 CG TRP A 95 -10.433 1.644 -14.590 1.00 1.00 C ATOM 379 CD1 TRP A 95 -9.144 1.338 -14.304 1.00 1.00 C ATOM 380 CD2 TRP A 95 -11.042 2.054 -13.325 1.00 1.00 C ATOM 381 NE1 TRP A 95 -8.905 1.548 -12.962 1.00 1.00 N ATOM 382 CE2 TRP A 95 -10.041 1.972 -12.308 1.00 1.00 C ATOM 383 CE3 TRP A 95 -12.345 2.423 -12.912 1.00 1.00 C ATOM 384 CZ2 TRP A 95 -10.302 2.272 -10.967 1.00 1.00 C ATOM 385 CZ3 TRP A 95 -12.621 2.707 -11.561 1.00 1.00 C ATOM 386 CH2 TRP A 95 -11.604 2.638 -10.594 1.00 1.00 C ATOM 0 H TRP A 95 -9.004 2.729 -16.431 1.00 1.00 H new ATOM 0 HA TRP A 95 -11.388 2.401 -17.869 1.00 1.00 H new ATOM 0 HB2 TRP A 95 -12.117 1.199 -15.778 1.00 1.00 H new ATOM 0 HB3 TRP A 95 -10.591 0.654 -16.445 1.00 1.00 H new ATOM 0 HD1 TRP A 95 -8.415 0.984 -15.018 1.00 1.00 H new ATOM 0 HE1 TRP A 95 -8.001 1.407 -12.511 1.00 1.00 H new ATOM 0 HE3 TRP A 95 -13.138 2.487 -13.643 1.00 1.00 H new ATOM 0 HZ2 TRP A 95 -9.514 2.223 -10.230 1.00 1.00 H new ATOM 0 HZ3 TRP A 95 -13.623 2.980 -11.265 1.00 1.00 H new ATOM 0 HH2 TRP A 95 -11.825 2.867 -9.562 1.00 1.00 H new ATOM 397 N LEU A 96 -11.559 4.818 -15.712 1.00 1.00 N ATOM 398 CA LEU A 96 -12.393 5.934 -15.254 1.00 1.00 C ATOM 399 C LEU A 96 -13.008 6.764 -16.404 1.00 1.00 C ATOM 400 O LEU A 96 -13.971 7.497 -16.192 1.00 1.00 O ATOM 401 CB LEU A 96 -11.572 6.848 -14.328 1.00 1.00 C ATOM 402 CG LEU A 96 -12.443 7.454 -13.211 1.00 1.00 C ATOM 403 CD1 LEU A 96 -12.460 6.520 -12.002 1.00 1.00 C ATOM 404 CD2 LEU A 96 -11.909 8.812 -12.768 1.00 1.00 C ATOM 0 H LEU A 96 -10.575 4.914 -15.463 1.00 1.00 H new ATOM 0 HA LEU A 96 -13.231 5.494 -14.714 1.00 1.00 H new ATOM 0 HB2 LEU A 96 -10.755 6.278 -13.885 1.00 1.00 H new ATOM 0 HB3 LEU A 96 -11.121 7.649 -14.913 1.00 1.00 H new ATOM 0 HG LEU A 96 -13.450 7.581 -13.608 1.00 1.00 H new ATOM 0 HD11 LEU A 96 -13.077 6.954 -11.216 1.00 1.00 H new ATOM 0 HD12 LEU A 96 -12.871 5.554 -12.294 1.00 1.00 H new ATOM 0 HD13 LEU A 96 -11.444 6.385 -11.632 1.00 1.00 H new ATOM 0 HD21 LEU A 96 -12.545 9.213 -11.979 1.00 1.00 H new ATOM 0 HD22 LEU A 96 -10.892 8.698 -12.392 1.00 1.00 H new ATOM 0 HD23 LEU A 96 -11.907 9.497 -13.616 1.00 1.00 H new ATOM 416 N GLY A 97 -12.452 6.668 -17.620 1.00 1.00 N ATOM 417 CA GLY A 97 -12.854 7.467 -18.781 1.00 1.00 C ATOM 418 C GLY A 97 -14.225 7.124 -19.369 1.00 1.00 C ATOM 419 O GLY A 97 -14.919 8.002 -19.886 1.00 1.00 O ATOM 0 H GLY A 97 -11.694 6.018 -17.826 1.00 1.00 H new ATOM 0 HA2 GLY A 97 -12.853 8.519 -18.495 1.00 1.00 H new ATOM 0 HA3 GLY A 97 -12.102 7.348 -19.561 1.00 1.00 H new ATOM 423 N ASN A 98 -14.599 5.844 -19.309 1.00 1.00 N ATOM 424 CA ASN A 98 -15.772 5.283 -19.991 1.00 1.00 C ATOM 425 C ASN A 98 -17.108 5.910 -19.533 1.00 1.00 C ATOM 426 O ASN A 98 -17.843 6.458 -20.355 1.00 1.00 O ATOM 427 CB ASN A 98 -15.769 3.753 -19.808 1.00 1.00 C ATOM 428 CG ASN A 98 -14.628 3.075 -20.555 1.00 1.00 C ATOM 429 OD1 ASN A 98 -13.499 3.008 -20.091 1.00 1.00 O ATOM 430 ND2 ASN A 98 -14.877 2.558 -21.739 1.00 1.00 N ATOM 0 H ASN A 98 -14.082 5.149 -18.771 1.00 1.00 H new ATOM 0 HA ASN A 98 -15.695 5.530 -21.050 1.00 1.00 H new ATOM 0 HB2 ASN A 98 -15.693 3.518 -18.746 1.00 1.00 H new ATOM 0 HB3 ASN A 98 -16.719 3.347 -20.157 1.00 1.00 H new ATOM 0 HD21 ASN A 98 -14.130 2.104 -22.265 1.00 1.00 H new ATOM 0 HD22 ASN A 98 -15.817 2.611 -22.131 1.00 1.00 H new ATOM 437 N ASP A 99 -17.419 5.833 -18.233 1.00 1.00 N ATOM 438 CA ASP A 99 -18.642 6.388 -17.622 1.00 1.00 C ATOM 439 C ASP A 99 -18.511 6.452 -16.081 1.00 1.00 C ATOM 440 O ASP A 99 -18.851 5.474 -15.409 1.00 1.00 O ATOM 441 CB ASP A 99 -19.876 5.556 -18.023 1.00 1.00 C ATOM 442 CG ASP A 99 -21.186 6.089 -17.410 1.00 1.00 C ATOM 443 OD1 ASP A 99 -21.257 7.284 -17.033 1.00 1.00 O ATOM 444 OD2 ASP A 99 -22.175 5.319 -17.348 1.00 1.00 O ATOM 0 H ASP A 99 -16.813 5.371 -17.555 1.00 1.00 H new ATOM 0 HA ASP A 99 -18.773 7.404 -17.995 1.00 1.00 H new ATOM 0 HB2 ASP A 99 -19.966 5.550 -19.109 1.00 1.00 H new ATOM 0 HB3 ASP A 99 -19.728 4.523 -17.709 1.00 1.00 H new ATOM 449 N PRO A 100 -17.999 7.559 -15.498 1.00 1.00 N ATOM 450 CA PRO A 100 -17.753 7.710 -14.057 1.00 1.00 C ATOM 451 C PRO A 100 -18.845 7.197 -13.100 1.00 1.00 C ATOM 452 O PRO A 100 -18.533 6.647 -12.042 1.00 1.00 O ATOM 453 CB PRO A 100 -17.465 9.195 -13.847 1.00 1.00 C ATOM 454 CG PRO A 100 -16.806 9.605 -15.161 1.00 1.00 C ATOM 455 CD PRO A 100 -17.511 8.736 -16.205 1.00 1.00 C ATOM 0 HA PRO A 100 -16.920 7.060 -13.789 1.00 1.00 H new ATOM 0 HB2 PRO A 100 -18.378 9.761 -13.659 1.00 1.00 H new ATOM 0 HB3 PRO A 100 -16.806 9.362 -12.995 1.00 1.00 H new ATOM 0 HG2 PRO A 100 -16.944 10.667 -15.364 1.00 1.00 H new ATOM 0 HG3 PRO A 100 -15.732 9.420 -15.145 1.00 1.00 H new ATOM 0 HD2 PRO A 100 -18.334 9.279 -16.670 1.00 1.00 H new ATOM 0 HD3 PRO A 100 -16.824 8.453 -17.003 1.00 1.00 H new ATOM 463 N ALA A 101 -20.127 7.342 -13.462 1.00 1.00 N ATOM 464 CA ALA A 101 -21.257 6.879 -12.658 1.00 1.00 C ATOM 465 C ALA A 101 -21.366 5.343 -12.523 1.00 1.00 C ATOM 466 O ALA A 101 -21.927 4.860 -11.537 1.00 1.00 O ATOM 467 CB ALA A 101 -22.542 7.462 -13.259 1.00 1.00 C ATOM 0 H ALA A 101 -20.408 7.791 -14.334 1.00 1.00 H new ATOM 0 HA ALA A 101 -21.096 7.233 -11.640 1.00 1.00 H new ATOM 0 HB1 ALA A 101 -23.400 7.130 -12.675 1.00 1.00 H new ATOM 0 HB2 ALA A 101 -22.491 8.551 -13.241 1.00 1.00 H new ATOM 0 HB3 ALA A 101 -22.650 7.121 -14.289 1.00 1.00 H new ATOM 473 N ALA A 102 -20.829 4.570 -13.474 1.00 1.00 N ATOM 474 CA ALA A 102 -20.963 3.109 -13.527 1.00 1.00 C ATOM 475 C ALA A 102 -20.187 2.357 -12.421 1.00 1.00 C ATOM 476 O ALA A 102 -20.553 1.232 -12.067 1.00 1.00 O ATOM 477 CB ALA A 102 -20.510 2.634 -14.914 1.00 1.00 C ATOM 0 H ALA A 102 -20.278 4.950 -14.244 1.00 1.00 H new ATOM 0 HA ALA A 102 -22.012 2.874 -13.347 1.00 1.00 H new ATOM 0 HB1 ALA A 102 -20.602 1.550 -14.975 1.00 1.00 H new ATOM 0 HB2 ALA A 102 -21.136 3.095 -15.679 1.00 1.00 H new ATOM 0 HB3 ALA A 102 -19.471 2.920 -15.075 1.00 1.00 H new ATOM 483 N PHE A 103 -19.132 2.967 -11.871 1.00 1.00 N ATOM 484 CA PHE A 103 -18.186 2.340 -10.929 1.00 1.00 C ATOM 485 C PHE A 103 -17.877 3.201 -9.685 1.00 1.00 C ATOM 486 O PHE A 103 -16.937 2.907 -8.945 1.00 1.00 O ATOM 487 CB PHE A 103 -16.938 1.883 -11.713 1.00 1.00 C ATOM 488 CG PHE A 103 -16.455 2.850 -12.769 1.00 1.00 C ATOM 489 CD1 PHE A 103 -15.918 4.087 -12.379 1.00 1.00 C ATOM 490 CD2 PHE A 103 -16.604 2.544 -14.135 1.00 1.00 C ATOM 491 CE1 PHE A 103 -15.552 5.028 -13.349 1.00 1.00 C ATOM 492 CE2 PHE A 103 -16.232 3.487 -15.107 1.00 1.00 C ATOM 493 CZ PHE A 103 -15.721 4.733 -14.712 1.00 1.00 C ATOM 0 H PHE A 103 -18.902 3.940 -12.072 1.00 1.00 H new ATOM 0 HA PHE A 103 -18.657 1.460 -10.492 1.00 1.00 H new ATOM 0 HB2 PHE A 103 -16.128 1.707 -11.005 1.00 1.00 H new ATOM 0 HB3 PHE A 103 -17.157 0.928 -12.190 1.00 1.00 H new ATOM 0 HD1 PHE A 103 -15.787 4.313 -11.331 1.00 1.00 H new ATOM 0 HD2 PHE A 103 -17.003 1.586 -14.435 1.00 1.00 H new ATOM 0 HE1 PHE A 103 -15.140 5.980 -13.049 1.00 1.00 H new ATOM 0 HE2 PHE A 103 -16.339 3.254 -16.156 1.00 1.00 H new ATOM 0 HZ PHE A 103 -15.457 5.467 -15.458 1.00 1.00 H new ATOM 503 N LEU A 104 -18.647 4.269 -9.426 1.00 1.00 N ATOM 504 CA LEU A 104 -18.586 5.010 -8.155 1.00 1.00 C ATOM 505 C LEU A 104 -19.033 4.090 -7.002 1.00 1.00 C ATOM 506 O LEU A 104 -20.078 3.441 -7.096 1.00 1.00 O ATOM 507 CB LEU A 104 -19.485 6.261 -8.216 1.00 1.00 C ATOM 508 CG LEU A 104 -18.739 7.554 -8.578 1.00 1.00 C ATOM 509 CD1 LEU A 104 -19.743 8.674 -8.857 1.00 1.00 C ATOM 510 CD2 LEU A 104 -17.812 8.035 -7.454 1.00 1.00 C ATOM 0 H LEU A 104 -19.327 4.643 -10.088 1.00 1.00 H new ATOM 0 HA LEU A 104 -17.560 5.334 -7.981 1.00 1.00 H new ATOM 0 HB2 LEU A 104 -20.274 6.092 -8.949 1.00 1.00 H new ATOM 0 HB3 LEU A 104 -19.971 6.393 -7.249 1.00 1.00 H new ATOM 0 HG LEU A 104 -18.137 7.326 -9.458 1.00 1.00 H new ATOM 0 HD11 LEU A 104 -19.207 9.588 -9.113 1.00 1.00 H new ATOM 0 HD12 LEU A 104 -20.387 8.386 -9.688 1.00 1.00 H new ATOM 0 HD13 LEU A 104 -20.351 8.847 -7.969 1.00 1.00 H new ATOM 0 HD21 LEU A 104 -17.310 8.952 -7.763 1.00 1.00 H new ATOM 0 HD22 LEU A 104 -18.399 8.228 -6.556 1.00 1.00 H new ATOM 0 HD23 LEU A 104 -17.067 7.267 -7.243 1.00 1.00 H new ATOM 522 N ILE A 105 -18.273 4.049 -5.904 1.00 1.00 N ATOM 523 CA ILE A 105 -18.619 3.283 -4.697 1.00 1.00 C ATOM 524 C ILE A 105 -19.850 3.927 -4.032 1.00 1.00 C ATOM 525 O ILE A 105 -19.803 5.078 -3.592 1.00 1.00 O ATOM 526 CB ILE A 105 -17.410 3.159 -3.744 1.00 1.00 C ATOM 527 CG1 ILE A 105 -16.223 2.457 -4.451 1.00 1.00 C ATOM 528 CG2 ILE A 105 -17.843 2.341 -2.515 1.00 1.00 C ATOM 529 CD1 ILE A 105 -14.918 2.585 -3.659 1.00 1.00 C ATOM 0 H ILE A 105 -17.389 4.552 -5.824 1.00 1.00 H new ATOM 0 HA ILE A 105 -18.880 2.260 -4.969 1.00 1.00 H new ATOM 0 HB ILE A 105 -17.082 4.154 -3.442 1.00 1.00 H new ATOM 0 HG12 ILE A 105 -16.459 1.402 -4.591 1.00 1.00 H new ATOM 0 HG13 ILE A 105 -16.087 2.888 -5.443 1.00 1.00 H new ATOM 0 HG21 ILE A 105 -17.002 2.242 -1.829 1.00 1.00 H new ATOM 0 HG22 ILE A 105 -18.665 2.849 -2.011 1.00 1.00 H new ATOM 0 HG23 ILE A 105 -18.170 1.351 -2.833 1.00 1.00 H new ATOM 0 HD11 ILE A 105 -14.116 2.077 -4.195 1.00 1.00 H new ATOM 0 HD12 ILE A 105 -14.666 3.639 -3.541 1.00 1.00 H new ATOM 0 HD13 ILE A 105 -15.043 2.130 -2.676 1.00 1.00 H new ATOM 541 N GLN A 106 -20.973 3.201 -4.026 1.00 1.00 N ATOM 542 CA GLN A 106 -22.280 3.719 -3.595 1.00 1.00 C ATOM 543 C GLN A 106 -22.360 3.939 -2.062 1.00 1.00 C ATOM 544 O GLN A 106 -21.707 3.212 -1.305 1.00 1.00 O ATOM 545 CB GLN A 106 -23.387 2.753 -4.067 1.00 1.00 C ATOM 546 CG GLN A 106 -23.452 2.569 -5.595 1.00 1.00 C ATOM 547 CD GLN A 106 -23.735 3.870 -6.349 1.00 1.00 C ATOM 548 OE1 GLN A 106 -24.811 4.448 -6.265 1.00 1.00 O ATOM 549 NE2 GLN A 106 -22.793 4.383 -7.111 1.00 1.00 N ATOM 0 H GLN A 106 -21.002 2.226 -4.323 1.00 1.00 H new ATOM 0 HA GLN A 106 -22.420 4.699 -4.051 1.00 1.00 H new ATOM 0 HB2 GLN A 106 -23.228 1.780 -3.601 1.00 1.00 H new ATOM 0 HB3 GLN A 106 -24.350 3.122 -3.715 1.00 1.00 H new ATOM 0 HG2 GLN A 106 -22.507 2.153 -5.944 1.00 1.00 H new ATOM 0 HG3 GLN A 106 -24.228 1.842 -5.834 1.00 1.00 H new ATOM 0 HE21 GLN A 106 -21.891 3.914 -7.192 1.00 1.00 H new ATOM 0 HE22 GLN A 106 -22.965 5.250 -7.621 1.00 1.00 H new ATOM 558 N PRO A 107 -23.189 4.893 -1.584 1.00 1.00 N ATOM 559 CA PRO A 107 -23.332 5.209 -0.154 1.00 1.00 C ATOM 560 C PRO A 107 -24.258 4.255 0.634 1.00 1.00 C ATOM 561 O PRO A 107 -24.422 4.422 1.842 1.00 1.00 O ATOM 562 CB PRO A 107 -23.871 6.646 -0.135 1.00 1.00 C ATOM 563 CG PRO A 107 -24.741 6.704 -1.391 1.00 1.00 C ATOM 564 CD PRO A 107 -23.950 5.850 -2.381 1.00 1.00 C ATOM 0 HA PRO A 107 -22.373 5.092 0.351 1.00 1.00 H new ATOM 0 HB2 PRO A 107 -24.450 6.848 0.766 1.00 1.00 H new ATOM 0 HB3 PRO A 107 -23.065 7.380 -0.168 1.00 1.00 H new ATOM 0 HG2 PRO A 107 -25.738 6.301 -1.213 1.00 1.00 H new ATOM 0 HG3 PRO A 107 -24.870 7.726 -1.749 1.00 1.00 H new ATOM 0 HD2 PRO A 107 -24.619 5.336 -3.071 1.00 1.00 H new ATOM 0 HD3 PRO A 107 -23.285 6.469 -2.983 1.00 1.00 H new ATOM 572 N ASP A 108 -24.873 3.263 -0.032 1.00 1.00 N ATOM 573 CA ASP A 108 -25.931 2.377 0.505 1.00 1.00 C ATOM 574 C ASP A 108 -27.095 3.138 1.197 1.00 1.00 C ATOM 575 O ASP A 108 -27.688 2.672 2.176 1.00 1.00 O ATOM 576 CB ASP A 108 -25.291 1.272 1.364 1.00 1.00 C ATOM 577 CG ASP A 108 -26.257 0.117 1.692 1.00 1.00 C ATOM 578 OD1 ASP A 108 -26.970 -0.366 0.779 1.00 1.00 O ATOM 579 OD2 ASP A 108 -26.264 -0.362 2.855 1.00 1.00 O ATOM 0 H ASP A 108 -24.640 3.044 -1.000 1.00 1.00 H new ATOM 0 HA ASP A 108 -26.430 1.892 -0.334 1.00 1.00 H new ATOM 0 HB2 ASP A 108 -24.422 0.872 0.841 1.00 1.00 H new ATOM 0 HB3 ASP A 108 -24.929 1.709 2.295 1.00 1.00 H new ATOM 584 N LEU A 109 -27.416 4.330 0.673 1.00 1.00 N ATOM 585 CA LEU A 109 -28.456 5.256 1.148 1.00 1.00 C ATOM 586 C LEU A 109 -29.199 5.909 -0.042 1.00 1.00 C ATOM 587 O LEU A 109 -28.624 6.016 -1.132 1.00 1.00 O ATOM 588 CB LEU A 109 -27.792 6.349 2.014 1.00 1.00 C ATOM 589 CG LEU A 109 -27.330 5.893 3.413 1.00 1.00 C ATOM 590 CD1 LEU A 109 -26.539 7.020 4.080 1.00 1.00 C ATOM 591 CD2 LEU A 109 -28.507 5.542 4.327 1.00 1.00 C ATOM 0 H LEU A 109 -26.927 4.696 -0.144 1.00 1.00 H new ATOM 0 HA LEU A 109 -29.185 4.700 1.738 1.00 1.00 H new ATOM 0 HB2 LEU A 109 -26.930 6.742 1.475 1.00 1.00 H new ATOM 0 HB3 LEU A 109 -28.496 7.173 2.133 1.00 1.00 H new ATOM 0 HG LEU A 109 -26.718 5.002 3.273 1.00 1.00 H new ATOM 0 HD11 LEU A 109 -26.212 6.699 5.069 1.00 1.00 H new ATOM 0 HD12 LEU A 109 -25.668 7.263 3.471 1.00 1.00 H new ATOM 0 HD13 LEU A 109 -27.173 7.902 4.176 1.00 1.00 H new ATOM 0 HD21 LEU A 109 -28.131 5.227 5.300 1.00 1.00 H new ATOM 0 HD22 LEU A 109 -29.145 6.417 4.451 1.00 1.00 H new ATOM 0 HD23 LEU A 109 -29.085 4.732 3.882 1.00 1.00 H new ATOM 603 N PRO A 110 -30.451 6.378 0.141 1.00 1.00 N ATOM 604 CA PRO A 110 -31.199 7.085 -0.900 1.00 1.00 C ATOM 605 C PRO A 110 -30.613 8.471 -1.220 1.00 1.00 C ATOM 606 O PRO A 110 -29.940 9.100 -0.397 1.00 1.00 O ATOM 607 CB PRO A 110 -32.634 7.183 -0.366 1.00 1.00 C ATOM 608 CG PRO A 110 -32.455 7.184 1.150 1.00 1.00 C ATOM 609 CD PRO A 110 -31.251 6.268 1.358 1.00 1.00 C ATOM 0 HA PRO A 110 -31.151 6.549 -1.848 1.00 1.00 H new ATOM 0 HB2 PRO A 110 -33.129 8.091 -0.712 1.00 1.00 H new ATOM 0 HB3 PRO A 110 -33.243 6.342 -0.697 1.00 1.00 H new ATOM 0 HG2 PRO A 110 -32.269 8.187 1.533 1.00 1.00 H new ATOM 0 HG3 PRO A 110 -33.341 6.807 1.661 1.00 1.00 H new ATOM 0 HD2 PRO A 110 -30.676 6.571 2.233 1.00 1.00 H new ATOM 0 HD3 PRO A 110 -31.567 5.239 1.526 1.00 1.00 H new ATOM 617 N ALA A 111 -30.921 8.959 -2.424 1.00 1.00 N ATOM 618 CA ALA A 111 -30.524 10.270 -2.943 1.00 1.00 C ATOM 619 C ALA A 111 -31.627 10.880 -3.836 1.00 1.00 C ATOM 620 O ALA A 111 -32.464 10.152 -4.379 1.00 1.00 O ATOM 621 CB ALA A 111 -29.210 10.099 -3.720 1.00 1.00 C ATOM 0 H ALA A 111 -31.478 8.428 -3.093 1.00 1.00 H new ATOM 0 HA ALA A 111 -30.377 10.964 -2.115 1.00 1.00 H new ATOM 0 HB1 ALA A 111 -28.894 11.064 -4.117 1.00 1.00 H new ATOM 0 HB2 ALA A 111 -28.440 9.711 -3.053 1.00 1.00 H new ATOM 0 HB3 ALA A 111 -29.362 9.400 -4.543 1.00 1.00 H new ATOM 627 N ILE A 112 -31.603 12.215 -3.989 1.00 1.00 N ATOM 628 CA ILE A 112 -32.602 13.061 -4.679 1.00 1.00 C ATOM 629 C ILE A 112 -34.049 12.523 -4.611 1.00 1.00 C ATOM 630 O ILE A 112 -34.728 12.253 -5.603 1.00 1.00 O ATOM 631 CB ILE A 112 -32.072 13.490 -6.071 1.00 1.00 C ATOM 632 CG1 ILE A 112 -32.908 14.578 -6.782 1.00 1.00 C ATOM 633 CG2 ILE A 112 -31.840 12.310 -7.034 1.00 1.00 C ATOM 634 CD1 ILE A 112 -33.155 15.838 -5.948 1.00 1.00 C ATOM 0 H ILE A 112 -30.837 12.772 -3.611 1.00 1.00 H new ATOM 0 HA ILE A 112 -32.718 13.989 -4.119 1.00 1.00 H new ATOM 0 HB ILE A 112 -31.108 13.936 -5.825 1.00 1.00 H new ATOM 0 HG12 ILE A 112 -32.401 14.862 -7.704 1.00 1.00 H new ATOM 0 HG13 ILE A 112 -33.870 14.151 -7.065 1.00 1.00 H new ATOM 0 HG21 ILE A 112 -31.469 12.686 -7.988 1.00 1.00 H new ATOM 0 HG22 ILE A 112 -31.107 11.628 -6.603 1.00 1.00 H new ATOM 0 HG23 ILE A 112 -32.779 11.780 -7.193 1.00 1.00 H new ATOM 0 HD11 ILE A 112 -33.749 16.546 -6.526 1.00 1.00 H new ATOM 0 HD12 ILE A 112 -33.692 15.572 -5.037 1.00 1.00 H new ATOM 0 HD13 ILE A 112 -32.200 16.294 -5.686 1.00 1.00 H new ATOM 646 N LEU A 113 -34.497 12.341 -3.365 1.00 1.00 N ATOM 647 CA LEU A 113 -35.795 11.747 -3.012 1.00 1.00 C ATOM 648 C LEU A 113 -36.991 12.702 -3.245 1.00 1.00 C ATOM 649 O LEU A 113 -38.132 12.244 -3.368 1.00 1.00 O ATOM 650 CB LEU A 113 -35.706 11.277 -1.544 1.00 1.00 C ATOM 651 CG LEU A 113 -36.889 10.433 -1.029 1.00 1.00 C ATOM 652 CD1 LEU A 113 -37.096 9.143 -1.827 1.00 1.00 C ATOM 653 CD2 LEU A 113 -36.632 10.035 0.426 1.00 1.00 C ATOM 0 H LEU A 113 -33.951 12.611 -2.547 1.00 1.00 H new ATOM 0 HA LEU A 113 -35.993 10.903 -3.672 1.00 1.00 H new ATOM 0 HB2 LEU A 113 -34.792 10.695 -1.425 1.00 1.00 H new ATOM 0 HB3 LEU A 113 -35.609 12.157 -0.907 1.00 1.00 H new ATOM 0 HG LEU A 113 -37.780 11.052 -1.135 1.00 1.00 H new ATOM 0 HD11 LEU A 113 -37.943 8.593 -1.416 1.00 1.00 H new ATOM 0 HD12 LEU A 113 -37.294 9.388 -2.870 1.00 1.00 H new ATOM 0 HD13 LEU A 113 -36.198 8.528 -1.763 1.00 1.00 H new ATOM 0 HD21 LEU A 113 -37.467 9.438 0.793 1.00 1.00 H new ATOM 0 HD22 LEU A 113 -35.714 9.451 0.487 1.00 1.00 H new ATOM 0 HD23 LEU A 113 -36.532 10.932 1.036 1.00 1.00 H new ATOM 665 N GLU A 114 -36.738 14.018 -3.300 1.00 1.00 N ATOM 666 CA GLU A 114 -37.729 15.093 -3.528 1.00 1.00 C ATOM 667 C GLU A 114 -38.552 14.936 -4.826 1.00 1.00 C ATOM 668 O GLU A 114 -37.963 14.744 -5.918 1.00 1.00 O ATOM 669 CB GLU A 114 -37.057 16.471 -3.488 1.00 1.00 C ATOM 670 CG GLU A 114 -36.354 16.787 -2.155 1.00 1.00 C ATOM 671 CD GLU A 114 -35.831 18.242 -2.128 1.00 1.00 C ATOM 672 OE1 GLU A 114 -36.577 19.159 -1.698 1.00 1.00 O ATOM 673 OE2 GLU A 114 -34.663 18.485 -2.525 1.00 1.00 O ATOM 0 H GLU A 114 -35.793 14.384 -3.182 1.00 1.00 H new ATOM 0 HA GLU A 114 -38.443 15.006 -2.709 1.00 1.00 H new ATOM 0 HB2 GLU A 114 -36.327 16.531 -4.295 1.00 1.00 H new ATOM 0 HB3 GLU A 114 -37.809 17.236 -3.681 1.00 1.00 H new ATOM 0 HG2 GLU A 114 -37.049 16.632 -1.329 1.00 1.00 H new ATOM 0 HG3 GLU A 114 -35.524 16.097 -2.007 1.00 1.00 H new TER 680 GLU A 114