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 Set 1.1: A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : 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 -60:sc= 1.29 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= 0.862 K(o=0.86,f=-0.2) USER MOD Single : A 98 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 GLN : amide:sc= 1.62 K(o=1.6,f=-6.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 71 -8.652 2.852 9.275 1.00 1.00 N ATOM 2 CA MET A 71 -7.888 3.151 8.026 1.00 1.00 C ATOM 3 C MET A 71 -7.984 4.647 7.684 1.00 1.00 C ATOM 4 O MET A 71 -9.073 5.219 7.706 1.00 1.00 O ATOM 5 CB MET A 71 -8.368 2.261 6.849 1.00 1.00 C ATOM 6 CG MET A 71 -7.494 2.377 5.590 1.00 1.00 C ATOM 7 SD MET A 71 -7.999 1.273 4.238 1.00 1.00 S ATOM 8 CE MET A 71 -6.869 1.850 2.940 1.00 1.00 C ATOM 0 HA MET A 71 -6.838 2.914 8.199 1.00 1.00 H new ATOM 0 HB2 MET A 71 -8.384 1.221 7.175 1.00 1.00 H new ATOM 0 HB3 MET A 71 -9.393 2.531 6.595 1.00 1.00 H new ATOM 0 HG2 MET A 71 -7.522 3.407 5.234 1.00 1.00 H new ATOM 0 HG3 MET A 71 -6.460 2.159 5.856 1.00 1.00 H new ATOM 0 HE1 MET A 71 -7.040 1.278 2.028 1.00 1.00 H new ATOM 0 HE2 MET A 71 -7.049 2.907 2.744 1.00 1.00 H new ATOM 0 HE3 MET A 71 -5.838 1.712 3.267 1.00 1.00 H new ATOM 20 N SER A 72 -6.851 5.295 7.378 1.00 1.00 N ATOM 21 CA SER A 72 -6.747 6.761 7.196 1.00 1.00 C ATOM 22 C SER A 72 -7.420 7.318 5.925 1.00 1.00 C ATOM 23 O SER A 72 -7.695 8.519 5.855 1.00 1.00 O ATOM 24 CB SER A 72 -5.268 7.176 7.177 1.00 1.00 C ATOM 25 OG SER A 72 -4.597 6.682 8.333 1.00 1.00 O ATOM 0 H SER A 72 -5.962 4.812 7.246 1.00 1.00 H new ATOM 0 HA SER A 72 -7.288 7.186 8.042 1.00 1.00 H new ATOM 0 HB2 SER A 72 -4.787 6.791 6.278 1.00 1.00 H new ATOM 0 HB3 SER A 72 -5.189 8.263 7.140 1.00 1.00 H new ATOM 0 HG SER A 72 -3.656 6.953 8.306 1.00 1.00 H new ATOM 31 N THR A 73 -7.694 6.469 4.929 1.00 1.00 N ATOM 32 CA THR A 73 -8.279 6.823 3.616 1.00 1.00 C ATOM 33 C THR A 73 -9.356 5.816 3.176 1.00 1.00 C ATOM 34 O THR A 73 -9.482 4.731 3.750 1.00 1.00 O ATOM 35 CB THR A 73 -7.206 6.948 2.529 1.00 1.00 C ATOM 36 OG1 THR A 73 -6.602 5.697 2.261 1.00 1.00 O ATOM 37 CG2 THR A 73 -6.091 7.943 2.865 1.00 1.00 C ATOM 0 H THR A 73 -7.508 5.469 5.012 1.00 1.00 H new ATOM 0 HA THR A 73 -8.753 7.796 3.746 1.00 1.00 H new ATOM 0 HB THR A 73 -7.743 7.321 1.657 1.00 1.00 H new ATOM 0 HG1 THR A 73 -5.923 5.805 1.563 1.00 1.00 H new ATOM 0 HG21 THR A 73 -5.372 7.974 2.046 1.00 1.00 H new ATOM 0 HG22 THR A 73 -6.520 8.935 3.009 1.00 1.00 H new ATOM 0 HG23 THR A 73 -5.587 7.630 3.779 1.00 1.00 H new ATOM 45 N VAL A 74 -10.157 6.173 2.160 1.00 1.00 N ATOM 46 CA VAL A 74 -11.225 5.325 1.586 1.00 1.00 C ATOM 47 C VAL A 74 -11.367 5.564 0.066 1.00 1.00 C ATOM 48 O VAL A 74 -11.246 6.709 -0.382 1.00 1.00 O ATOM 49 CB VAL A 74 -12.550 5.563 2.352 1.00 1.00 C ATOM 50 CG1 VAL A 74 -13.060 7.010 2.283 1.00 1.00 C ATOM 51 CG2 VAL A 74 -13.700 4.633 1.949 1.00 1.00 C ATOM 0 H VAL A 74 -10.082 7.081 1.700 1.00 1.00 H new ATOM 0 HA VAL A 74 -10.956 4.275 1.706 1.00 1.00 H new ATOM 0 HB VAL A 74 -12.260 5.331 3.377 1.00 1.00 H new ATOM 0 HG11 VAL A 74 -13.991 7.095 2.843 1.00 1.00 H new ATOM 0 HG12 VAL A 74 -12.315 7.679 2.714 1.00 1.00 H new ATOM 0 HG13 VAL A 74 -13.236 7.284 1.243 1.00 1.00 H new ATOM 0 HG21 VAL A 74 -14.586 4.873 2.537 1.00 1.00 H new ATOM 0 HG22 VAL A 74 -13.921 4.766 0.890 1.00 1.00 H new ATOM 0 HG23 VAL A 74 -13.412 3.598 2.133 1.00 1.00 H new ATOM 61 N PRO A 75 -11.601 4.515 -0.753 1.00 1.00 N ATOM 62 CA PRO A 75 -11.837 4.653 -2.195 1.00 1.00 C ATOM 63 C PRO A 75 -13.173 5.348 -2.524 1.00 1.00 C ATOM 64 O PRO A 75 -14.088 5.446 -1.705 1.00 1.00 O ATOM 65 CB PRO A 75 -11.771 3.222 -2.750 1.00 1.00 C ATOM 66 CG PRO A 75 -12.206 2.363 -1.566 1.00 1.00 C ATOM 67 CD PRO A 75 -11.608 3.108 -0.374 1.00 1.00 C ATOM 0 HA PRO A 75 -11.090 5.300 -2.654 1.00 1.00 H new ATOM 0 HB2 PRO A 75 -12.434 3.092 -3.606 1.00 1.00 H new ATOM 0 HB3 PRO A 75 -10.765 2.966 -3.084 1.00 1.00 H new ATOM 0 HG2 PRO A 75 -13.291 2.290 -1.495 1.00 1.00 H new ATOM 0 HG3 PRO A 75 -11.823 1.345 -1.641 1.00 1.00 H new ATOM 0 HD2 PRO A 75 -12.202 2.948 0.526 1.00 1.00 H new ATOM 0 HD3 PRO A 75 -10.600 2.756 -0.158 1.00 1.00 H new ATOM 75 N LYS A 76 -13.278 5.789 -3.783 1.00 1.00 N ATOM 76 CA LYS A 76 -14.455 6.452 -4.385 1.00 1.00 C ATOM 77 C LYS A 76 -14.982 5.702 -5.617 1.00 1.00 C ATOM 78 O LYS A 76 -16.167 5.782 -5.915 1.00 1.00 O ATOM 79 CB LYS A 76 -14.125 7.935 -4.646 1.00 1.00 C ATOM 80 CG LYS A 76 -15.361 8.780 -5.006 1.00 1.00 C ATOM 81 CD LYS A 76 -15.043 10.283 -5.122 1.00 1.00 C ATOM 82 CE LYS A 76 -14.614 10.975 -3.811 1.00 1.00 C ATOM 83 NZ LYS A 76 -15.727 11.099 -2.824 1.00 1.00 N ATOM 0 H LYS A 76 -12.510 5.691 -4.447 1.00 1.00 H new ATOM 0 HA LYS A 76 -15.286 6.420 -3.681 1.00 1.00 H new ATOM 0 HB2 LYS A 76 -13.651 8.356 -3.759 1.00 1.00 H new ATOM 0 HB3 LYS A 76 -13.399 8.001 -5.457 1.00 1.00 H new ATOM 0 HG2 LYS A 76 -15.774 8.427 -5.951 1.00 1.00 H new ATOM 0 HG3 LYS A 76 -16.129 8.633 -4.247 1.00 1.00 H new ATOM 0 HD2 LYS A 76 -14.249 10.413 -5.857 1.00 1.00 H new ATOM 0 HD3 LYS A 76 -15.924 10.794 -5.511 1.00 1.00 H new ATOM 0 HE2 LYS A 76 -13.797 10.411 -3.360 1.00 1.00 H new ATOM 0 HE3 LYS A 76 -14.227 11.968 -4.041 1.00 1.00 H new ATOM 0 HZ1 LYS A 76 -15.379 11.571 -1.965 1.00 1.00 H new ATOM 0 HZ2 LYS A 76 -16.498 11.660 -3.239 1.00 1.00 H new ATOM 0 HZ3 LYS A 76 -16.081 10.152 -2.579 1.00 1.00 H new ATOM 97 N TYR A 77 -14.149 4.897 -6.278 1.00 1.00 N ATOM 98 CA TYR A 77 -14.514 4.101 -7.460 1.00 1.00 C ATOM 99 C TYR A 77 -13.855 2.719 -7.394 1.00 1.00 C ATOM 100 O TYR A 77 -12.730 2.605 -6.901 1.00 1.00 O ATOM 101 CB TYR A 77 -14.046 4.825 -8.733 1.00 1.00 C ATOM 102 CG TYR A 77 -14.544 6.248 -8.913 1.00 1.00 C ATOM 103 CD1 TYR A 77 -13.885 7.310 -8.263 1.00 1.00 C ATOM 104 CD2 TYR A 77 -15.615 6.527 -9.781 1.00 1.00 C ATOM 105 CE1 TYR A 77 -14.301 8.640 -8.468 1.00 1.00 C ATOM 106 CE2 TYR A 77 -16.020 7.856 -10.000 1.00 1.00 C ATOM 107 CZ TYR A 77 -15.373 8.919 -9.342 1.00 1.00 C ATOM 108 OH TYR A 77 -15.782 10.198 -9.562 1.00 1.00 O ATOM 0 H TYR A 77 -13.175 4.774 -6.002 1.00 1.00 H new ATOM 0 HA TYR A 77 -15.597 3.979 -7.480 1.00 1.00 H new ATOM 0 HB2 TYR A 77 -12.956 4.840 -8.738 1.00 1.00 H new ATOM 0 HB3 TYR A 77 -14.361 4.239 -9.596 1.00 1.00 H new ATOM 0 HD1 TYR A 77 -13.055 7.103 -7.603 1.00 1.00 H new ATOM 0 HD2 TYR A 77 -16.128 5.718 -10.281 1.00 1.00 H new ATOM 0 HE1 TYR A 77 -13.799 9.447 -7.956 1.00 1.00 H new ATOM 0 HE2 TYR A 77 -16.834 8.063 -10.679 1.00 1.00 H new ATOM 0 HH TYR A 77 -16.531 10.198 -10.193 1.00 1.00 H new ATOM 118 N ARG A 78 -14.524 1.687 -7.926 1.00 1.00 N ATOM 119 CA ARG A 78 -14.011 0.304 -7.995 1.00 1.00 C ATOM 120 C ARG A 78 -14.463 -0.390 -9.284 1.00 1.00 C ATOM 121 O ARG A 78 -15.638 -0.714 -9.433 1.00 1.00 O ATOM 122 CB ARG A 78 -14.459 -0.485 -6.750 1.00 1.00 C ATOM 123 CG ARG A 78 -13.899 -1.921 -6.732 1.00 1.00 C ATOM 124 CD ARG A 78 -14.223 -2.654 -5.424 1.00 1.00 C ATOM 125 NE ARG A 78 -15.672 -2.911 -5.276 1.00 1.00 N ATOM 126 CZ ARG A 78 -16.291 -3.367 -4.198 1.00 1.00 C ATOM 127 NH1 ARG A 78 -15.649 -3.659 -3.102 1.00 1.00 N ATOM 128 NH2 ARG A 78 -17.580 -3.544 -4.200 1.00 1.00 N ATOM 0 H ARG A 78 -15.455 1.788 -8.329 1.00 1.00 H new ATOM 0 HA ARG A 78 -12.922 0.337 -8.011 1.00 1.00 H new ATOM 0 HB2 ARG A 78 -14.132 0.041 -5.853 1.00 1.00 H new ATOM 0 HB3 ARG A 78 -15.548 -0.522 -6.719 1.00 1.00 H new ATOM 0 HG2 ARG A 78 -14.312 -2.480 -7.572 1.00 1.00 H new ATOM 0 HG3 ARG A 78 -12.818 -1.889 -6.870 1.00 1.00 H new ATOM 0 HD2 ARG A 78 -13.682 -3.600 -5.395 1.00 1.00 H new ATOM 0 HD3 ARG A 78 -13.872 -2.061 -4.580 1.00 1.00 H new ATOM 0 HE ARG A 78 -16.256 -2.717 -6.090 1.00 1.00 H new ATOM 0 HH11 ARG A 78 -14.637 -3.538 -3.056 1.00 1.00 H new ATOM 0 HH12 ARG A 78 -16.158 -4.008 -2.290 1.00 1.00 H new ATOM 0 HH21 ARG A 78 -18.123 -3.331 -5.037 1.00 1.00 H new ATOM 0 HH22 ARG A 78 -18.048 -3.896 -3.365 1.00 1.00 H new ATOM 142 N ASP A 79 -13.525 -0.638 -10.191 1.00 1.00 N ATOM 143 CA ASP A 79 -13.734 -1.332 -11.465 1.00 1.00 C ATOM 144 C ASP A 79 -14.266 -2.768 -11.254 1.00 1.00 C ATOM 145 O ASP A 79 -13.541 -3.598 -10.695 1.00 1.00 O ATOM 146 CB ASP A 79 -12.401 -1.394 -12.215 1.00 1.00 C ATOM 147 CG ASP A 79 -12.545 -2.212 -13.506 1.00 1.00 C ATOM 148 OD1 ASP A 79 -13.395 -1.863 -14.359 1.00 1.00 O ATOM 149 OD2 ASP A 79 -11.845 -3.243 -13.625 1.00 1.00 O ATOM 0 H ASP A 79 -12.556 -0.350 -10.057 1.00 1.00 H new ATOM 0 HA ASP A 79 -14.479 -0.780 -12.039 1.00 1.00 H new ATOM 0 HB2 ASP A 79 -12.064 -0.385 -12.453 1.00 1.00 H new ATOM 0 HB3 ASP A 79 -11.639 -1.842 -11.577 1.00 1.00 H new ATOM 154 N PRO A 80 -15.491 -3.112 -11.699 1.00 1.00 N ATOM 155 CA PRO A 80 -16.062 -4.443 -11.477 1.00 1.00 C ATOM 156 C PRO A 80 -15.393 -5.551 -12.314 1.00 1.00 C ATOM 157 O PRO A 80 -15.516 -6.730 -11.975 1.00 1.00 O ATOM 158 CB PRO A 80 -17.553 -4.301 -11.810 1.00 1.00 C ATOM 159 CG PRO A 80 -17.579 -3.172 -12.840 1.00 1.00 C ATOM 160 CD PRO A 80 -16.456 -2.252 -12.362 1.00 1.00 C ATOM 0 HA PRO A 80 -15.895 -4.761 -10.448 1.00 1.00 H new ATOM 0 HB2 PRO A 80 -17.964 -5.225 -12.216 1.00 1.00 H new ATOM 0 HB3 PRO A 80 -18.140 -4.052 -10.926 1.00 1.00 H new ATOM 0 HG2 PRO A 80 -17.398 -3.541 -13.849 1.00 1.00 H new ATOM 0 HG3 PRO A 80 -18.542 -2.661 -12.856 1.00 1.00 H new ATOM 0 HD2 PRO A 80 -15.999 -1.726 -13.200 1.00 1.00 H new ATOM 0 HD3 PRO A 80 -16.837 -1.493 -11.679 1.00 1.00 H new ATOM 168 N ALA A 81 -14.685 -5.198 -13.397 1.00 1.00 N ATOM 169 CA ALA A 81 -14.038 -6.155 -14.299 1.00 1.00 C ATOM 170 C ALA A 81 -12.720 -6.743 -13.741 1.00 1.00 C ATOM 171 O ALA A 81 -12.415 -7.912 -13.995 1.00 1.00 O ATOM 172 CB ALA A 81 -13.817 -5.450 -15.642 1.00 1.00 C ATOM 0 H ALA A 81 -14.545 -4.226 -13.672 1.00 1.00 H new ATOM 0 HA ALA A 81 -14.692 -7.019 -14.417 1.00 1.00 H new ATOM 0 HB1 ALA A 81 -13.336 -6.137 -16.338 1.00 1.00 H new ATOM 0 HB2 ALA A 81 -14.777 -5.134 -16.049 1.00 1.00 H new ATOM 0 HB3 ALA A 81 -13.181 -4.577 -15.495 1.00 1.00 H new ATOM 178 N THR A 82 -11.951 -5.960 -12.968 1.00 1.00 N ATOM 179 CA THR A 82 -10.595 -6.318 -12.489 1.00 1.00 C ATOM 180 C THR A 82 -10.322 -6.026 -11.004 1.00 1.00 C ATOM 181 O THR A 82 -9.339 -6.529 -10.454 1.00 1.00 O ATOM 182 CB THR A 82 -9.496 -5.643 -13.312 1.00 1.00 C ATOM 183 OG1 THR A 82 -9.496 -4.243 -13.158 1.00 1.00 O ATOM 184 CG2 THR A 82 -9.600 -6.002 -14.789 1.00 1.00 C ATOM 0 H THR A 82 -12.255 -5.040 -12.649 1.00 1.00 H new ATOM 0 HA THR A 82 -10.571 -7.400 -12.619 1.00 1.00 H new ATOM 0 HB THR A 82 -8.551 -6.024 -12.925 1.00 1.00 H new ATOM 0 HG1 THR A 82 -10.360 -3.882 -13.448 1.00 1.00 H new ATOM 0 HG21 THR A 82 -8.803 -5.504 -15.341 1.00 1.00 H new ATOM 0 HG22 THR A 82 -9.505 -7.081 -14.909 1.00 1.00 H new ATOM 0 HG23 THR A 82 -10.566 -5.678 -15.175 1.00 1.00 H new ATOM 192 N GLY A 83 -11.168 -5.234 -10.333 1.00 1.00 N ATOM 193 CA GLY A 83 -11.033 -4.889 -8.908 1.00 1.00 C ATOM 194 C GLY A 83 -10.173 -3.648 -8.612 1.00 1.00 C ATOM 195 O GLY A 83 -9.976 -3.319 -7.440 1.00 1.00 O ATOM 0 H GLY A 83 -11.983 -4.805 -10.772 1.00 1.00 H new ATOM 0 HA2 GLY A 83 -12.028 -4.728 -8.494 1.00 1.00 H new ATOM 0 HA3 GLY A 83 -10.603 -5.742 -8.383 1.00 1.00 H new ATOM 199 N LYS A 84 -9.659 -2.958 -9.642 1.00 1.00 N ATOM 200 CA LYS A 84 -8.902 -1.691 -9.533 1.00 1.00 C ATOM 201 C LYS A 84 -9.730 -0.580 -8.873 1.00 1.00 C ATOM 202 O LYS A 84 -10.949 -0.538 -9.029 1.00 1.00 O ATOM 203 CB LYS A 84 -8.421 -1.257 -10.927 1.00 1.00 C ATOM 204 CG LYS A 84 -7.319 -2.205 -11.424 1.00 1.00 C ATOM 205 CD LYS A 84 -6.861 -1.843 -12.844 1.00 1.00 C ATOM 206 CE LYS A 84 -5.827 -2.869 -13.327 1.00 1.00 C ATOM 207 NZ LYS A 84 -5.345 -2.564 -14.704 1.00 1.00 N ATOM 0 H LYS A 84 -9.759 -3.273 -10.607 1.00 1.00 H new ATOM 0 HA LYS A 84 -8.040 -1.866 -8.890 1.00 1.00 H new ATOM 0 HB2 LYS A 84 -9.257 -1.261 -11.626 1.00 1.00 H new ATOM 0 HB3 LYS A 84 -8.043 -0.236 -10.888 1.00 1.00 H new ATOM 0 HG2 LYS A 84 -6.468 -2.162 -10.744 1.00 1.00 H new ATOM 0 HG3 LYS A 84 -7.687 -3.231 -11.410 1.00 1.00 H new ATOM 0 HD2 LYS A 84 -7.716 -1.827 -13.520 1.00 1.00 H new ATOM 0 HD3 LYS A 84 -6.428 -0.843 -12.854 1.00 1.00 H new ATOM 0 HE2 LYS A 84 -4.981 -2.883 -12.640 1.00 1.00 H new ATOM 0 HE3 LYS A 84 -6.268 -3.866 -13.309 1.00 1.00 H new ATOM 0 HZ1 LYS A 84 -4.648 -3.279 -14.994 1.00 1.00 H new ATOM 0 HZ2 LYS A 84 -6.149 -2.576 -15.364 1.00 1.00 H new ATOM 0 HZ3 LYS A 84 -4.901 -1.624 -14.716 1.00 1.00 H new ATOM 221 N THR A 85 -9.071 0.340 -8.166 1.00 1.00 N ATOM 222 CA THR A 85 -9.726 1.413 -7.385 1.00 1.00 C ATOM 223 C THR A 85 -9.076 2.793 -7.554 1.00 1.00 C ATOM 224 O THR A 85 -7.913 2.907 -7.949 1.00 1.00 O ATOM 225 CB THR A 85 -9.762 1.081 -5.878 1.00 1.00 C ATOM 226 OG1 THR A 85 -8.465 0.760 -5.407 1.00 1.00 O ATOM 227 CG2 THR A 85 -10.688 -0.088 -5.549 1.00 1.00 C ATOM 0 H THR A 85 -8.053 0.369 -8.113 1.00 1.00 H new ATOM 0 HA THR A 85 -10.736 1.462 -7.791 1.00 1.00 H new ATOM 0 HB THR A 85 -10.144 1.975 -5.385 1.00 1.00 H new ATOM 0 HG1 THR A 85 -8.506 0.554 -4.450 1.00 1.00 H new ATOM 0 HG21 THR A 85 -10.671 -0.274 -4.475 1.00 1.00 H new ATOM 0 HG22 THR A 85 -11.704 0.154 -5.860 1.00 1.00 H new ATOM 0 HG23 THR A 85 -10.350 -0.980 -6.077 1.00 1.00 H new ATOM 235 N TRP A 86 -9.837 3.847 -7.230 1.00 1.00 N ATOM 236 CA TRP A 86 -9.375 5.246 -7.149 1.00 1.00 C ATOM 237 C TRP A 86 -10.211 6.021 -6.117 1.00 1.00 C ATOM 238 O TRP A 86 -11.291 5.561 -5.740 1.00 1.00 O ATOM 239 CB TRP A 86 -9.459 5.883 -8.545 1.00 1.00 C ATOM 240 CG TRP A 86 -8.838 7.242 -8.679 1.00 1.00 C ATOM 241 CD1 TRP A 86 -7.519 7.516 -8.558 1.00 1.00 C ATOM 242 CD2 TRP A 86 -9.483 8.531 -8.918 1.00 1.00 C ATOM 243 NE1 TRP A 86 -7.313 8.875 -8.684 1.00 1.00 N ATOM 244 CE2 TRP A 86 -8.487 9.550 -8.911 1.00 1.00 C ATOM 245 CE3 TRP A 86 -10.815 8.946 -9.105 1.00 1.00 C ATOM 246 CZ2 TRP A 86 -8.802 10.909 -9.062 1.00 1.00 C ATOM 247 CZ3 TRP A 86 -11.150 10.303 -9.248 1.00 1.00 C ATOM 248 CH2 TRP A 86 -10.148 11.283 -9.221 1.00 1.00 C ATOM 0 H TRP A 86 -10.828 3.749 -7.008 1.00 1.00 H new ATOM 0 HA TRP A 86 -8.338 5.280 -6.816 1.00 1.00 H new ATOM 0 HB2 TRP A 86 -8.980 5.213 -9.259 1.00 1.00 H new ATOM 0 HB3 TRP A 86 -10.509 5.954 -8.829 1.00 1.00 H new ATOM 0 HD1 TRP A 86 -6.744 6.783 -8.389 1.00 1.00 H new ATOM 0 HE1 TRP A 86 -6.399 9.324 -8.617 1.00 1.00 H new ATOM 0 HE3 TRP A 86 -11.598 8.203 -9.139 1.00 1.00 H new ATOM 0 HZ2 TRP A 86 -8.022 11.656 -9.056 1.00 1.00 H new ATOM 0 HZ3 TRP A 86 -12.182 10.592 -9.379 1.00 1.00 H new ATOM 0 HH2 TRP A 86 -10.410 12.326 -9.322 1.00 1.00 H new ATOM 259 N SER A 87 -9.764 7.200 -5.669 1.00 1.00 N ATOM 260 CA SER A 87 -10.363 7.910 -4.515 1.00 1.00 C ATOM 261 C SER A 87 -10.604 9.422 -4.648 1.00 1.00 C ATOM 262 O SER A 87 -11.282 9.984 -3.788 1.00 1.00 O ATOM 263 CB SER A 87 -9.454 7.675 -3.301 1.00 1.00 C ATOM 264 OG SER A 87 -8.165 8.219 -3.558 1.00 1.00 O ATOM 0 H SER A 87 -8.978 7.695 -6.091 1.00 1.00 H new ATOM 0 HA SER A 87 -11.365 7.491 -4.426 1.00 1.00 H new ATOM 0 HB2 SER A 87 -9.886 8.140 -2.415 1.00 1.00 H new ATOM 0 HB3 SER A 87 -9.375 6.608 -3.094 1.00 1.00 H new ATOM 0 HG SER A 87 -7.586 8.070 -2.781 1.00 1.00 H new ATOM 270 N GLY A 88 -10.097 10.087 -5.694 1.00 1.00 N ATOM 271 CA GLY A 88 -10.235 11.547 -5.871 1.00 1.00 C ATOM 272 C GLY A 88 -8.916 12.335 -5.947 1.00 1.00 C ATOM 273 O GLY A 88 -8.956 13.559 -6.095 1.00 1.00 O ATOM 0 H GLY A 88 -9.578 9.632 -6.445 1.00 1.00 H new ATOM 0 HA2 GLY A 88 -10.801 11.732 -6.784 1.00 1.00 H new ATOM 0 HA3 GLY A 88 -10.826 11.941 -5.044 1.00 1.00 H new ATOM 277 N ARG A 89 -7.757 11.665 -5.832 1.00 1.00 N ATOM 278 CA ARG A 89 -6.412 12.280 -5.755 1.00 1.00 C ATOM 279 C ARG A 89 -5.400 11.555 -6.656 1.00 1.00 C ATOM 280 O ARG A 89 -5.511 10.349 -6.883 1.00 1.00 O ATOM 281 CB ARG A 89 -5.987 12.294 -4.271 1.00 1.00 C ATOM 282 CG ARG A 89 -4.704 13.093 -3.996 1.00 1.00 C ATOM 283 CD ARG A 89 -4.413 13.167 -2.491 1.00 1.00 C ATOM 284 NE ARG A 89 -3.175 13.926 -2.216 1.00 1.00 N ATOM 285 CZ ARG A 89 -2.648 14.180 -1.030 1.00 1.00 C ATOM 286 NH1 ARG A 89 -3.197 13.761 0.075 1.00 1.00 N ATOM 287 NH2 ARG A 89 -1.543 14.864 -0.928 1.00 1.00 N ATOM 0 H ARG A 89 -7.725 10.646 -5.788 1.00 1.00 H new ATOM 0 HA ARG A 89 -6.442 13.303 -6.131 1.00 1.00 H new ATOM 0 HB2 ARG A 89 -6.798 12.713 -3.675 1.00 1.00 H new ATOM 0 HB3 ARG A 89 -5.842 11.267 -3.935 1.00 1.00 H new ATOM 0 HG2 ARG A 89 -3.864 12.626 -4.510 1.00 1.00 H new ATOM 0 HG3 ARG A 89 -4.805 14.100 -4.400 1.00 1.00 H new ATOM 0 HD2 ARG A 89 -5.252 13.639 -1.980 1.00 1.00 H new ATOM 0 HD3 ARG A 89 -4.320 12.159 -2.087 1.00 1.00 H new ATOM 0 HE ARG A 89 -2.675 14.292 -3.026 1.00 1.00 H new ATOM 0 HH11 ARG A 89 -4.060 13.219 0.042 1.00 1.00 H new ATOM 0 HH12 ARG A 89 -2.763 13.975 0.973 1.00 1.00 H new ATOM 0 HH21 ARG A 89 -1.077 15.208 -1.767 1.00 1.00 H new ATOM 0 HH22 ARG A 89 -1.144 15.055 -0.009 1.00 1.00 H new ATOM 301 N GLY A 90 -4.411 12.292 -7.169 1.00 1.00 N ATOM 302 CA GLY A 90 -3.449 11.803 -8.169 1.00 1.00 C ATOM 303 C GLY A 90 -4.078 11.591 -9.558 1.00 1.00 C ATOM 304 O GLY A 90 -5.267 11.858 -9.766 1.00 1.00 O ATOM 0 H GLY A 90 -4.251 13.262 -6.898 1.00 1.00 H new ATOM 0 HA2 GLY A 90 -2.628 12.515 -8.253 1.00 1.00 H new ATOM 0 HA3 GLY A 90 -3.021 10.862 -7.823 1.00 1.00 H new ATOM 308 N ARG A 91 -3.277 11.115 -10.523 1.00 1.00 N ATOM 309 CA ARG A 91 -3.733 10.814 -11.896 1.00 1.00 C ATOM 310 C ARG A 91 -4.836 9.746 -11.903 1.00 1.00 C ATOM 311 O ARG A 91 -4.655 8.643 -11.385 1.00 1.00 O ATOM 312 CB ARG A 91 -2.530 10.427 -12.761 1.00 1.00 C ATOM 313 CG ARG A 91 -2.898 10.111 -14.222 1.00 1.00 C ATOM 314 CD ARG A 91 -1.662 9.916 -15.109 1.00 1.00 C ATOM 315 NE ARG A 91 -0.860 8.740 -14.700 1.00 1.00 N ATOM 316 CZ ARG A 91 0.354 8.725 -14.173 1.00 1.00 C ATOM 317 NH1 ARG A 91 1.023 9.816 -13.918 1.00 1.00 N ATOM 318 NH2 ARG A 91 0.926 7.592 -13.878 1.00 1.00 N ATOM 0 H ARG A 91 -2.286 10.925 -10.375 1.00 1.00 H new ATOM 0 HA ARG A 91 -4.184 11.708 -12.328 1.00 1.00 H new ATOM 0 HB2 ARG A 91 -1.805 11.241 -12.746 1.00 1.00 H new ATOM 0 HB3 ARG A 91 -2.042 9.557 -12.322 1.00 1.00 H new ATOM 0 HG2 ARG A 91 -3.509 9.209 -14.253 1.00 1.00 H new ATOM 0 HG3 ARG A 91 -3.506 10.922 -14.624 1.00 1.00 H new ATOM 0 HD2 ARG A 91 -1.976 9.797 -16.146 1.00 1.00 H new ATOM 0 HD3 ARG A 91 -1.041 10.810 -15.065 1.00 1.00 H new ATOM 0 HE ARG A 91 -1.297 7.829 -14.842 1.00 1.00 H new ATOM 0 HH11 ARG A 91 0.612 10.726 -14.125 1.00 1.00 H new ATOM 0 HH12 ARG A 91 1.957 9.758 -13.511 1.00 1.00 H new ATOM 0 HH21 ARG A 91 0.438 6.714 -14.053 1.00 1.00 H new ATOM 0 HH22 ARG A 91 1.862 7.584 -13.472 1.00 1.00 H new ATOM 332 N GLN A 92 -5.968 10.085 -12.515 1.00 1.00 N ATOM 333 CA GLN A 92 -7.141 9.219 -12.645 1.00 1.00 C ATOM 334 C GLN A 92 -6.885 8.091 -13.679 1.00 1.00 C ATOM 335 O GLN A 92 -6.397 8.386 -14.776 1.00 1.00 O ATOM 336 CB GLN A 92 -8.322 10.112 -13.055 1.00 1.00 C ATOM 337 CG GLN A 92 -9.663 9.381 -12.983 1.00 1.00 C ATOM 338 CD GLN A 92 -10.815 10.312 -13.351 1.00 1.00 C ATOM 339 OE1 GLN A 92 -11.193 10.453 -14.505 1.00 1.00 O ATOM 340 NE2 GLN A 92 -11.415 10.986 -12.390 1.00 1.00 N ATOM 0 H GLN A 92 -6.100 10.999 -12.949 1.00 1.00 H new ATOM 0 HA GLN A 92 -7.362 8.721 -11.701 1.00 1.00 H new ATOM 0 HB2 GLN A 92 -8.354 10.987 -12.406 1.00 1.00 H new ATOM 0 HB3 GLN A 92 -8.164 10.474 -14.071 1.00 1.00 H new ATOM 0 HG2 GLN A 92 -9.652 8.526 -13.659 1.00 1.00 H new ATOM 0 HG3 GLN A 92 -9.814 8.990 -11.977 1.00 1.00 H new ATOM 0 HE21 GLN A 92 -11.109 10.877 -11.423 1.00 1.00 H new ATOM 0 HE22 GLN A 92 -12.185 11.616 -12.613 1.00 1.00 H new ATOM 349 N PRO A 93 -7.190 6.812 -13.372 1.00 1.00 N ATOM 350 CA PRO A 93 -6.884 5.682 -14.258 1.00 1.00 C ATOM 351 C PRO A 93 -7.822 5.574 -15.478 1.00 1.00 C ATOM 352 O PRO A 93 -8.964 6.039 -15.463 1.00 1.00 O ATOM 353 CB PRO A 93 -6.953 4.443 -13.359 1.00 1.00 C ATOM 354 CG PRO A 93 -7.972 4.837 -12.292 1.00 1.00 C ATOM 355 CD PRO A 93 -7.710 6.329 -12.098 1.00 1.00 C ATOM 0 HA PRO A 93 -5.902 5.806 -14.713 1.00 1.00 H new ATOM 0 HB2 PRO A 93 -7.273 3.561 -13.914 1.00 1.00 H new ATOM 0 HB3 PRO A 93 -5.982 4.210 -12.921 1.00 1.00 H new ATOM 0 HG2 PRO A 93 -8.994 4.646 -12.620 1.00 1.00 H new ATOM 0 HG3 PRO A 93 -7.825 4.278 -11.368 1.00 1.00 H new ATOM 0 HD2 PRO A 93 -8.625 6.854 -11.825 1.00 1.00 H new ATOM 0 HD3 PRO A 93 -6.994 6.499 -11.294 1.00 1.00 H new ATOM 363 N ALA A 94 -7.340 4.914 -16.539 1.00 1.00 N ATOM 364 CA ALA A 94 -7.975 4.876 -17.865 1.00 1.00 C ATOM 365 C ALA A 94 -9.379 4.233 -17.913 1.00 1.00 C ATOM 366 O ALA A 94 -10.240 4.704 -18.661 1.00 1.00 O ATOM 367 CB ALA A 94 -7.015 4.165 -18.829 1.00 1.00 C ATOM 0 H ALA A 94 -6.474 4.377 -16.499 1.00 1.00 H new ATOM 0 HA ALA A 94 -8.155 5.910 -18.159 1.00 1.00 H new ATOM 0 HB1 ALA A 94 -7.462 4.123 -19.822 1.00 1.00 H new ATOM 0 HB2 ALA A 94 -6.075 4.714 -18.877 1.00 1.00 H new ATOM 0 HB3 ALA A 94 -6.826 3.152 -18.473 1.00 1.00 H new ATOM 373 N TRP A 95 -9.636 3.189 -17.112 1.00 1.00 N ATOM 374 CA TRP A 95 -10.968 2.560 -17.010 1.00 1.00 C ATOM 375 C TRP A 95 -12.041 3.526 -16.489 1.00 1.00 C ATOM 376 O TRP A 95 -13.211 3.425 -16.867 1.00 1.00 O ATOM 377 CB TRP A 95 -10.908 1.320 -16.100 1.00 1.00 C ATOM 378 CG TRP A 95 -10.341 1.517 -14.728 1.00 1.00 C ATOM 379 CD1 TRP A 95 -9.044 1.336 -14.391 1.00 1.00 C ATOM 380 CD2 TRP A 95 -11.036 1.872 -13.488 1.00 1.00 C ATOM 381 NE1 TRP A 95 -8.876 1.588 -13.045 1.00 1.00 N ATOM 382 CE2 TRP A 95 -10.068 1.917 -12.439 1.00 1.00 C ATOM 383 CE3 TRP A 95 -12.381 2.136 -13.127 1.00 1.00 C ATOM 384 CZ2 TRP A 95 -10.399 2.228 -11.116 1.00 1.00 C ATOM 385 CZ3 TRP A 95 -12.724 2.428 -11.793 1.00 1.00 C ATOM 386 CH2 TRP A 95 -11.741 2.474 -10.793 1.00 1.00 C ATOM 0 H TRP A 95 -8.931 2.755 -16.516 1.00 1.00 H new ATOM 0 HA TRP A 95 -11.252 2.267 -18.021 1.00 1.00 H new ATOM 0 HB2 TRP A 95 -11.919 0.925 -15.997 1.00 1.00 H new ATOM 0 HB3 TRP A 95 -10.317 0.556 -16.605 1.00 1.00 H new ATOM 0 HD1 TRP A 95 -8.260 1.039 -15.071 1.00 1.00 H new ATOM 0 HE1 TRP A 95 -7.981 1.537 -12.559 1.00 1.00 H new ATOM 0 HE3 TRP A 95 -13.151 2.113 -13.884 1.00 1.00 H new ATOM 0 HZ2 TRP A 95 -9.633 2.278 -10.356 1.00 1.00 H new ATOM 0 HZ3 TRP A 95 -13.756 2.619 -11.537 1.00 1.00 H new ATOM 0 HH2 TRP A 95 -12.018 2.699 -9.774 1.00 1.00 H new ATOM 397 N LEU A 96 -11.636 4.467 -15.630 1.00 1.00 N ATOM 398 CA LEU A 96 -12.524 5.338 -14.868 1.00 1.00 C ATOM 399 C LEU A 96 -13.038 6.519 -15.707 1.00 1.00 C ATOM 400 O LEU A 96 -14.230 6.818 -15.693 1.00 1.00 O ATOM 401 CB LEU A 96 -11.738 5.773 -13.622 1.00 1.00 C ATOM 402 CG LEU A 96 -12.589 6.171 -12.412 1.00 1.00 C ATOM 403 CD1 LEU A 96 -11.656 6.265 -11.215 1.00 1.00 C ATOM 404 CD2 LEU A 96 -13.288 7.522 -12.561 1.00 1.00 C ATOM 0 H LEU A 96 -10.649 4.646 -15.443 1.00 1.00 H new ATOM 0 HA LEU A 96 -13.432 4.813 -14.571 1.00 1.00 H new ATOM 0 HB2 LEU A 96 -11.077 4.958 -13.327 1.00 1.00 H new ATOM 0 HB3 LEU A 96 -11.102 6.617 -13.891 1.00 1.00 H new ATOM 0 HG LEU A 96 -13.370 5.418 -12.302 1.00 1.00 H new ATOM 0 HD11 LEU A 96 -12.227 6.547 -10.330 1.00 1.00 H new ATOM 0 HD12 LEU A 96 -11.181 5.298 -11.047 1.00 1.00 H new ATOM 0 HD13 LEU A 96 -10.891 7.017 -11.408 1.00 1.00 H new ATOM 0 HD21 LEU A 96 -13.870 7.731 -11.664 1.00 1.00 H new ATOM 0 HD22 LEU A 96 -12.542 8.304 -12.700 1.00 1.00 H new ATOM 0 HD23 LEU A 96 -13.951 7.495 -13.426 1.00 1.00 H new ATOM 416 N GLY A 97 -12.151 7.145 -16.489 1.00 1.00 N ATOM 417 CA GLY A 97 -12.447 8.319 -17.321 1.00 1.00 C ATOM 418 C GLY A 97 -13.604 8.166 -18.316 1.00 1.00 C ATOM 419 O GLY A 97 -14.285 9.144 -18.639 1.00 1.00 O ATOM 0 H GLY A 97 -11.180 6.841 -16.563 1.00 1.00 H new ATOM 0 HA2 GLY A 97 -12.669 9.159 -16.663 1.00 1.00 H new ATOM 0 HA3 GLY A 97 -11.547 8.580 -17.878 1.00 1.00 H new ATOM 423 N ASN A 98 -13.810 6.943 -18.811 1.00 1.00 N ATOM 424 CA ASN A 98 -14.817 6.607 -19.822 1.00 1.00 C ATOM 425 C ASN A 98 -16.264 6.950 -19.403 1.00 1.00 C ATOM 426 O ASN A 98 -16.998 7.559 -20.185 1.00 1.00 O ATOM 427 CB ASN A 98 -14.677 5.110 -20.159 1.00 1.00 C ATOM 428 CG ASN A 98 -15.640 4.685 -21.260 1.00 1.00 C ATOM 429 OD1 ASN A 98 -15.627 5.206 -22.366 1.00 1.00 O ATOM 430 ND2 ASN A 98 -16.511 3.735 -20.997 1.00 1.00 N ATOM 0 H ASN A 98 -13.265 6.135 -18.511 1.00 1.00 H new ATOM 0 HA ASN A 98 -14.629 7.223 -20.701 1.00 1.00 H new ATOM 0 HB2 ASN A 98 -13.654 4.902 -20.471 1.00 1.00 H new ATOM 0 HB3 ASN A 98 -14.864 4.517 -19.264 1.00 1.00 H new ATOM 0 HD21 ASN A 98 -17.172 3.436 -21.714 1.00 1.00 H new ATOM 0 HD22 ASN A 98 -16.526 3.297 -20.076 1.00 1.00 H new ATOM 437 N ASP A 99 -16.671 6.575 -18.184 1.00 1.00 N ATOM 438 CA ASP A 99 -18.002 6.860 -17.621 1.00 1.00 C ATOM 439 C ASP A 99 -17.992 6.728 -16.077 1.00 1.00 C ATOM 440 O ASP A 99 -18.424 5.700 -15.543 1.00 1.00 O ATOM 441 CB ASP A 99 -19.062 5.939 -18.262 1.00 1.00 C ATOM 442 CG ASP A 99 -20.497 6.250 -17.789 1.00 1.00 C ATOM 443 OD1 ASP A 99 -20.761 7.370 -17.283 1.00 1.00 O ATOM 444 OD2 ASP A 99 -21.387 5.386 -17.971 1.00 1.00 O ATOM 0 H ASP A 99 -16.072 6.053 -17.545 1.00 1.00 H new ATOM 0 HA ASP A 99 -18.265 7.891 -17.855 1.00 1.00 H new ATOM 0 HB2 ASP A 99 -19.013 6.038 -19.346 1.00 1.00 H new ATOM 0 HB3 ASP A 99 -18.824 4.902 -18.026 1.00 1.00 H new ATOM 449 N PRO A 100 -17.463 7.732 -15.341 1.00 1.00 N ATOM 450 CA PRO A 100 -17.192 7.652 -13.902 1.00 1.00 C ATOM 451 C PRO A 100 -18.318 7.088 -13.020 1.00 1.00 C ATOM 452 O PRO A 100 -18.059 6.297 -12.113 1.00 1.00 O ATOM 453 CB PRO A 100 -16.786 9.064 -13.483 1.00 1.00 C ATOM 454 CG PRO A 100 -16.164 9.648 -14.749 1.00 1.00 C ATOM 455 CD PRO A 100 -16.968 8.997 -15.873 1.00 1.00 C ATOM 0 HA PRO A 100 -16.406 6.914 -13.741 1.00 1.00 H new ATOM 0 HB2 PRO A 100 -17.646 9.647 -13.153 1.00 1.00 H new ATOM 0 HB3 PRO A 100 -16.075 9.048 -12.657 1.00 1.00 H new ATOM 0 HG2 PRO A 100 -16.247 10.735 -14.773 1.00 1.00 H new ATOM 0 HG3 PRO A 100 -15.103 9.408 -14.823 1.00 1.00 H new ATOM 0 HD2 PRO A 100 -17.793 9.638 -16.183 1.00 1.00 H new ATOM 0 HD3 PRO A 100 -16.345 8.832 -16.752 1.00 1.00 H new ATOM 463 N ALA A 101 -19.575 7.462 -13.282 1.00 1.00 N ATOM 464 CA ALA A 101 -20.722 7.062 -12.465 1.00 1.00 C ATOM 465 C ALA A 101 -21.049 5.551 -12.500 1.00 1.00 C ATOM 466 O ALA A 101 -21.735 5.059 -11.601 1.00 1.00 O ATOM 467 CB ALA A 101 -21.933 7.904 -12.887 1.00 1.00 C ATOM 0 H ALA A 101 -19.825 8.055 -14.073 1.00 1.00 H new ATOM 0 HA ALA A 101 -20.458 7.251 -11.424 1.00 1.00 H new ATOM 0 HB1 ALA A 101 -22.799 7.621 -12.289 1.00 1.00 H new ATOM 0 HB2 ALA A 101 -21.714 8.960 -12.731 1.00 1.00 H new ATOM 0 HB3 ALA A 101 -22.147 7.730 -13.941 1.00 1.00 H new ATOM 473 N ALA A 102 -20.569 4.800 -13.503 1.00 1.00 N ATOM 474 CA ALA A 102 -20.878 3.373 -13.675 1.00 1.00 C ATOM 475 C ALA A 102 -20.350 2.466 -12.538 1.00 1.00 C ATOM 476 O ALA A 102 -20.940 1.418 -12.254 1.00 1.00 O ATOM 477 CB ALA A 102 -20.314 2.925 -15.027 1.00 1.00 C ATOM 0 H ALA A 102 -19.950 5.170 -14.224 1.00 1.00 H new ATOM 0 HA ALA A 102 -21.962 3.265 -13.639 1.00 1.00 H new ATOM 0 HB1 ALA A 102 -20.530 1.868 -15.179 1.00 1.00 H new ATOM 0 HB2 ALA A 102 -20.775 3.508 -15.825 1.00 1.00 H new ATOM 0 HB3 ALA A 102 -19.235 3.080 -15.041 1.00 1.00 H new ATOM 483 N PHE A 103 -19.251 2.869 -11.887 1.00 1.00 N ATOM 484 CA PHE A 103 -18.511 2.097 -10.877 1.00 1.00 C ATOM 485 C PHE A 103 -18.095 2.955 -9.656 1.00 1.00 C ATOM 486 O PHE A 103 -17.173 2.606 -8.913 1.00 1.00 O ATOM 487 CB PHE A 103 -17.337 1.385 -11.591 1.00 1.00 C ATOM 488 CG PHE A 103 -16.691 2.193 -12.697 1.00 1.00 C ATOM 489 CD1 PHE A 103 -16.157 3.457 -12.402 1.00 1.00 C ATOM 490 CD2 PHE A 103 -16.738 1.744 -14.032 1.00 1.00 C ATOM 491 CE1 PHE A 103 -15.719 4.294 -13.437 1.00 1.00 C ATOM 492 CE2 PHE A 103 -16.278 2.575 -15.069 1.00 1.00 C ATOM 493 CZ PHE A 103 -15.792 3.858 -14.771 1.00 1.00 C ATOM 0 H PHE A 103 -18.833 3.784 -12.057 1.00 1.00 H new ATOM 0 HA PHE A 103 -19.155 1.337 -10.435 1.00 1.00 H new ATOM 0 HB2 PHE A 103 -16.577 1.133 -10.851 1.00 1.00 H new ATOM 0 HB3 PHE A 103 -17.699 0.445 -12.009 1.00 1.00 H new ATOM 0 HD1 PHE A 103 -16.084 3.785 -11.376 1.00 1.00 H new ATOM 0 HD2 PHE A 103 -17.127 0.762 -14.259 1.00 1.00 H new ATOM 0 HE1 PHE A 103 -15.326 5.274 -13.210 1.00 1.00 H new ATOM 0 HE2 PHE A 103 -16.299 2.227 -16.091 1.00 1.00 H new ATOM 0 HZ PHE A 103 -15.473 4.512 -15.569 1.00 1.00 H new ATOM 503 N LEU A 104 -18.753 4.102 -9.451 1.00 1.00 N ATOM 504 CA LEU A 104 -18.600 4.960 -8.270 1.00 1.00 C ATOM 505 C LEU A 104 -19.236 4.281 -7.039 1.00 1.00 C ATOM 506 O LEU A 104 -20.408 3.904 -7.063 1.00 1.00 O ATOM 507 CB LEU A 104 -19.223 6.336 -8.584 1.00 1.00 C ATOM 508 CG LEU A 104 -18.608 7.524 -7.818 1.00 1.00 C ATOM 509 CD1 LEU A 104 -19.103 8.835 -8.437 1.00 1.00 C ATOM 510 CD2 LEU A 104 -18.952 7.572 -6.330 1.00 1.00 C ATOM 0 H LEU A 104 -19.427 4.470 -10.122 1.00 1.00 H new ATOM 0 HA LEU A 104 -17.548 5.112 -8.029 1.00 1.00 H new ATOM 0 HB2 LEU A 104 -19.127 6.525 -9.653 1.00 1.00 H new ATOM 0 HB3 LEU A 104 -20.289 6.294 -8.362 1.00 1.00 H new ATOM 0 HG LEU A 104 -17.529 7.391 -7.901 1.00 1.00 H new ATOM 0 HD11 LEU A 104 -18.670 9.678 -7.898 1.00 1.00 H new ATOM 0 HD12 LEU A 104 -18.801 8.880 -9.483 1.00 1.00 H new ATOM 0 HD13 LEU A 104 -20.190 8.881 -8.370 1.00 1.00 H new ATOM 0 HD21 LEU A 104 -18.476 8.440 -5.874 1.00 1.00 H new ATOM 0 HD22 LEU A 104 -20.033 7.645 -6.209 1.00 1.00 H new ATOM 0 HD23 LEU A 104 -18.593 6.665 -5.844 1.00 1.00 H new ATOM 522 N ILE A 105 -18.456 4.099 -5.974 1.00 1.00 N ATOM 523 CA ILE A 105 -18.874 3.443 -4.726 1.00 1.00 C ATOM 524 C ILE A 105 -19.872 4.339 -3.971 1.00 1.00 C ATOM 525 O ILE A 105 -19.566 5.491 -3.670 1.00 1.00 O ATOM 526 CB ILE A 105 -17.644 3.125 -3.839 1.00 1.00 C ATOM 527 CG1 ILE A 105 -16.602 2.253 -4.580 1.00 1.00 C ATOM 528 CG2 ILE A 105 -18.090 2.422 -2.539 1.00 1.00 C ATOM 529 CD1 ILE A 105 -15.261 2.214 -3.837 1.00 1.00 C ATOM 0 H ILE A 105 -17.485 4.412 -5.951 1.00 1.00 H new ATOM 0 HA ILE A 105 -19.365 2.502 -4.971 1.00 1.00 H new ATOM 0 HB ILE A 105 -17.166 4.074 -3.595 1.00 1.00 H new ATOM 0 HG12 ILE A 105 -16.987 1.239 -4.688 1.00 1.00 H new ATOM 0 HG13 ILE A 105 -16.449 2.645 -5.586 1.00 1.00 H new ATOM 0 HG21 ILE A 105 -17.216 2.204 -1.925 1.00 1.00 H new ATOM 0 HG22 ILE A 105 -18.768 3.073 -1.987 1.00 1.00 H new ATOM 0 HG23 ILE A 105 -18.601 1.491 -2.786 1.00 1.00 H new ATOM 0 HD11 ILE A 105 -14.557 1.592 -4.389 1.00 1.00 H new ATOM 0 HD12 ILE A 105 -14.863 3.225 -3.752 1.00 1.00 H new ATOM 0 HD13 ILE A 105 -15.409 1.797 -2.841 1.00 1.00 H new ATOM 541 N GLN A 106 -21.041 3.797 -3.620 1.00 1.00 N ATOM 542 CA GLN A 106 -22.062 4.431 -2.763 1.00 1.00 C ATOM 543 C GLN A 106 -22.620 3.387 -1.761 1.00 1.00 C ATOM 544 O GLN A 106 -22.614 2.191 -2.072 1.00 1.00 O ATOM 545 CB GLN A 106 -23.182 5.027 -3.643 1.00 1.00 C ATOM 546 CG GLN A 106 -22.755 6.193 -4.560 1.00 1.00 C ATOM 547 CD GLN A 106 -22.453 7.493 -3.809 1.00 1.00 C ATOM 548 OE1 GLN A 106 -23.302 8.356 -3.643 1.00 1.00 O ATOM 549 NE2 GLN A 106 -21.245 7.704 -3.335 1.00 1.00 N ATOM 0 H GLN A 106 -21.319 2.867 -3.935 1.00 1.00 H new ATOM 0 HA GLN A 106 -21.616 5.244 -2.191 1.00 1.00 H new ATOM 0 HB2 GLN A 106 -23.595 4.232 -4.264 1.00 1.00 H new ATOM 0 HB3 GLN A 106 -23.985 5.374 -2.993 1.00 1.00 H new ATOM 0 HG2 GLN A 106 -21.870 5.895 -5.122 1.00 1.00 H new ATOM 0 HG3 GLN A 106 -23.546 6.380 -5.286 1.00 1.00 H new ATOM 0 HE21 GLN A 106 -20.518 7.000 -3.460 1.00 1.00 H new ATOM 0 HE22 GLN A 106 -21.035 8.572 -2.842 1.00 1.00 H new ATOM 558 N PRO A 107 -23.096 3.796 -0.565 1.00 1.00 N ATOM 559 CA PRO A 107 -23.430 2.858 0.520 1.00 1.00 C ATOM 560 C PRO A 107 -24.705 2.023 0.320 1.00 1.00 C ATOM 561 O PRO A 107 -24.811 0.922 0.865 1.00 1.00 O ATOM 562 CB PRO A 107 -23.518 3.721 1.784 1.00 1.00 C ATOM 563 CG PRO A 107 -23.908 5.100 1.253 1.00 1.00 C ATOM 564 CD PRO A 107 -23.181 5.172 -0.087 1.00 1.00 C ATOM 0 HA PRO A 107 -22.658 2.090 0.570 1.00 1.00 H new ATOM 0 HB2 PRO A 107 -24.261 3.335 2.482 1.00 1.00 H new ATOM 0 HB3 PRO A 107 -22.567 3.751 2.316 1.00 1.00 H new ATOM 0 HG2 PRO A 107 -24.987 5.195 1.132 1.00 1.00 H new ATOM 0 HG3 PRO A 107 -23.591 5.896 1.927 1.00 1.00 H new ATOM 0 HD2 PRO A 107 -23.724 5.799 -0.794 1.00 1.00 H new ATOM 0 HD3 PRO A 107 -22.189 5.608 0.029 1.00 1.00 H new ATOM 572 N ASP A 108 -25.656 2.533 -0.466 1.00 1.00 N ATOM 573 CA ASP A 108 -26.911 1.872 -0.866 1.00 1.00 C ATOM 574 C ASP A 108 -27.669 2.658 -1.955 1.00 1.00 C ATOM 575 O ASP A 108 -28.182 2.076 -2.913 1.00 1.00 O ATOM 576 CB ASP A 108 -27.842 1.684 0.349 1.00 1.00 C ATOM 577 CG ASP A 108 -29.108 0.888 -0.010 1.00 1.00 C ATOM 578 OD1 ASP A 108 -28.993 -0.300 -0.400 1.00 1.00 O ATOM 579 OD2 ASP A 108 -30.229 1.435 0.126 1.00 1.00 O ATOM 0 H ASP A 108 -25.571 3.468 -0.864 1.00 1.00 H new ATOM 0 HA ASP A 108 -26.628 0.902 -1.276 1.00 1.00 H new ATOM 0 HB2 ASP A 108 -27.302 1.167 1.142 1.00 1.00 H new ATOM 0 HB3 ASP A 108 -28.127 2.660 0.741 1.00 1.00 H new ATOM 584 N LEU A 109 -27.674 3.989 -1.827 1.00 1.00 N ATOM 585 CA LEU A 109 -28.244 4.976 -2.744 1.00 1.00 C ATOM 586 C LEU A 109 -27.317 6.210 -2.861 1.00 1.00 C ATOM 587 O LEU A 109 -26.455 6.398 -1.993 1.00 1.00 O ATOM 588 CB LEU A 109 -29.644 5.386 -2.234 1.00 1.00 C ATOM 589 CG LEU A 109 -30.753 4.334 -2.426 1.00 1.00 C ATOM 590 CD1 LEU A 109 -32.042 4.825 -1.764 1.00 1.00 C ATOM 591 CD2 LEU A 109 -31.060 4.074 -3.902 1.00 1.00 C ATOM 0 H LEU A 109 -27.246 4.436 -1.016 1.00 1.00 H new ATOM 0 HA LEU A 109 -28.337 4.539 -3.738 1.00 1.00 H new ATOM 0 HB2 LEU A 109 -29.570 5.622 -1.172 1.00 1.00 H new ATOM 0 HB3 LEU A 109 -29.944 6.302 -2.744 1.00 1.00 H new ATOM 0 HG LEU A 109 -30.394 3.409 -1.974 1.00 1.00 H new ATOM 0 HD11 LEU A 109 -32.827 4.081 -1.900 1.00 1.00 H new ATOM 0 HD12 LEU A 109 -31.868 4.979 -0.699 1.00 1.00 H new ATOM 0 HD13 LEU A 109 -32.350 5.765 -2.221 1.00 1.00 H new ATOM 0 HD21 LEU A 109 -31.848 3.325 -3.983 1.00 1.00 H new ATOM 0 HD22 LEU A 109 -31.389 5.000 -4.374 1.00 1.00 H new ATOM 0 HD23 LEU A 109 -30.162 3.711 -4.402 1.00 1.00 H new ATOM 603 N PRO A 110 -27.462 7.051 -3.909 1.00 1.00 N ATOM 604 CA PRO A 110 -26.672 8.274 -4.078 1.00 1.00 C ATOM 605 C PRO A 110 -26.687 9.201 -2.856 1.00 1.00 C ATOM 606 O PRO A 110 -27.744 9.470 -2.280 1.00 1.00 O ATOM 607 CB PRO A 110 -27.252 8.986 -5.297 1.00 1.00 C ATOM 608 CG PRO A 110 -27.883 7.856 -6.110 1.00 1.00 C ATOM 609 CD PRO A 110 -28.371 6.883 -5.039 1.00 1.00 C ATOM 0 HA PRO A 110 -25.623 8.007 -4.206 1.00 1.00 H new ATOM 0 HB2 PRO A 110 -27.991 9.734 -5.010 1.00 1.00 H new ATOM 0 HB3 PRO A 110 -26.478 9.504 -5.864 1.00 1.00 H new ATOM 0 HG2 PRO A 110 -28.704 8.216 -6.730 1.00 1.00 H new ATOM 0 HG3 PRO A 110 -27.160 7.389 -6.778 1.00 1.00 H new ATOM 0 HD2 PRO A 110 -29.399 7.102 -4.750 1.00 1.00 H new ATOM 0 HD3 PRO A 110 -28.354 5.857 -5.406 1.00 1.00 H new ATOM 617 N ALA A 111 -25.535 9.786 -2.521 1.00 1.00 N ATOM 618 CA ALA A 111 -25.360 10.776 -1.450 1.00 1.00 C ATOM 619 C ALA A 111 -25.867 12.196 -1.809 1.00 1.00 C ATOM 620 O ALA A 111 -25.315 13.208 -1.369 1.00 1.00 O ATOM 621 CB ALA A 111 -23.886 10.741 -1.012 1.00 1.00 C ATOM 0 H ALA A 111 -24.663 9.576 -3.006 1.00 1.00 H new ATOM 0 HA ALA A 111 -25.997 10.503 -0.609 1.00 1.00 H new ATOM 0 HB1 ALA A 111 -23.726 11.468 -0.216 1.00 1.00 H new ATOM 0 HB2 ALA A 111 -23.638 9.744 -0.649 1.00 1.00 H new ATOM 0 HB3 ALA A 111 -23.248 10.987 -1.861 1.00 1.00 H new ATOM 627 N ILE A 112 -26.928 12.250 -2.617 1.00 1.00 N ATOM 628 CA ILE A 112 -27.596 13.457 -3.145 1.00 1.00 C ATOM 629 C ILE A 112 -29.121 13.295 -3.102 1.00 1.00 C ATOM 630 O ILE A 112 -29.844 13.448 -4.090 1.00 1.00 O ATOM 631 CB ILE A 112 -27.045 13.854 -4.541 1.00 1.00 C ATOM 632 CG1 ILE A 112 -27.052 12.677 -5.545 1.00 1.00 C ATOM 633 CG2 ILE A 112 -25.622 14.423 -4.418 1.00 1.00 C ATOM 634 CD1 ILE A 112 -26.831 13.103 -7.004 1.00 1.00 C ATOM 0 H ILE A 112 -27.379 11.397 -2.946 1.00 1.00 H new ATOM 0 HA ILE A 112 -27.360 14.300 -2.496 1.00 1.00 H new ATOM 0 HB ILE A 112 -27.715 14.619 -4.932 1.00 1.00 H new ATOM 0 HG12 ILE A 112 -26.275 11.967 -5.262 1.00 1.00 H new ATOM 0 HG13 ILE A 112 -28.005 12.154 -5.470 1.00 1.00 H new ATOM 0 HG21 ILE A 112 -25.252 14.696 -5.407 1.00 1.00 H new ATOM 0 HG22 ILE A 112 -25.637 15.307 -3.780 1.00 1.00 H new ATOM 0 HG23 ILE A 112 -24.966 13.671 -3.980 1.00 1.00 H new ATOM 0 HD11 ILE A 112 -26.849 12.223 -7.647 1.00 1.00 H new ATOM 0 HD12 ILE A 112 -27.622 13.790 -7.306 1.00 1.00 H new ATOM 0 HD13 ILE A 112 -25.865 13.599 -7.096 1.00 1.00 H new ATOM 646 N LEU A 113 -29.587 12.937 -1.903 1.00 1.00 N ATOM 647 CA LEU A 113 -30.962 12.505 -1.601 1.00 1.00 C ATOM 648 C LEU A 113 -31.550 13.141 -0.313 1.00 1.00 C ATOM 649 O LEU A 113 -32.697 12.864 0.041 1.00 1.00 O ATOM 650 CB LEU A 113 -30.925 10.958 -1.564 1.00 1.00 C ATOM 651 CG LEU A 113 -32.274 10.209 -1.538 1.00 1.00 C ATOM 652 CD1 LEU A 113 -33.182 10.581 -2.714 1.00 1.00 C ATOM 653 CD2 LEU A 113 -32.018 8.702 -1.605 1.00 1.00 C ATOM 0 H LEU A 113 -28.991 12.939 -1.075 1.00 1.00 H new ATOM 0 HA LEU A 113 -31.649 12.857 -2.371 1.00 1.00 H new ATOM 0 HB2 LEU A 113 -30.368 10.615 -2.436 1.00 1.00 H new ATOM 0 HB3 LEU A 113 -30.357 10.657 -0.684 1.00 1.00 H new ATOM 0 HG LEU A 113 -32.775 10.496 -0.613 1.00 1.00 H new ATOM 0 HD11 LEU A 113 -34.116 10.024 -2.643 1.00 1.00 H new ATOM 0 HD12 LEU A 113 -33.394 11.650 -2.686 1.00 1.00 H new ATOM 0 HD13 LEU A 113 -32.683 10.335 -3.651 1.00 1.00 H new ATOM 0 HD21 LEU A 113 -32.969 8.170 -1.587 1.00 1.00 H new ATOM 0 HD22 LEU A 113 -31.487 8.464 -2.526 1.00 1.00 H new ATOM 0 HD23 LEU A 113 -31.415 8.397 -0.750 1.00 1.00 H new ATOM 665 N GLU A 114 -30.781 14.022 0.351 1.00 1.00 N ATOM 666 CA GLU A 114 -31.062 14.705 1.640 1.00 1.00 C ATOM 667 C GLU A 114 -31.799 13.847 2.701 1.00 1.00 C ATOM 668 O GLU A 114 -33.027 13.989 2.912 1.00 1.00 O ATOM 669 CB GLU A 114 -31.699 16.078 1.374 1.00 1.00 C ATOM 670 CG GLU A 114 -31.715 16.998 2.607 1.00 1.00 C ATOM 671 CD GLU A 114 -32.264 18.401 2.254 1.00 1.00 C ATOM 672 OE1 GLU A 114 -33.494 18.633 2.355 1.00 1.00 O ATOM 673 OE2 GLU A 114 -31.466 19.302 1.891 1.00 1.00 O ATOM 0 H GLU A 114 -29.874 14.301 -0.024 1.00 1.00 H new ATOM 0 HA GLU A 114 -30.102 14.869 2.129 1.00 1.00 H new ATOM 0 HB2 GLU A 114 -31.155 16.572 0.569 1.00 1.00 H new ATOM 0 HB3 GLU A 114 -32.722 15.934 1.025 1.00 1.00 H new ATOM 0 HG2 GLU A 114 -32.329 16.551 3.389 1.00 1.00 H new ATOM 0 HG3 GLU A 114 -30.706 17.090 3.008 1.00 1.00 H new TER 680 GLU A 114