USER MOD reduce.3.24.130724 H: found=0, std=0, add=327, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 327 hydrogens (2 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 3 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0106) USER MOD Single : A 8 ASN : amide:sc= -0.0333 K(o=-0.033,f=-0.8) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -1.67 X(o=-1.7,f=-1.2) USER MOD Single : A 17 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0213) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.138 X(o=-0.14,f=0.04) USER MOD Single : A 28 ASN : amide:sc= -0.0174 K(o=-0.017,f=-0.54) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 3.495 -2.700 15.449 1.00 0.00 N ATOM 2 CA PRO A 1 2.795 -2.986 14.177 1.00 0.00 C ATOM 3 C PRO A 1 3.437 -4.156 13.433 1.00 0.00 C ATOM 4 O PRO A 1 2.743 -5.045 12.940 1.00 0.00 O ATOM 5 CB PRO A 1 2.862 -1.717 13.335 1.00 0.00 C ATOM 6 CG PRO A 1 3.882 -0.866 14.023 1.00 0.00 C ATOM 7 CD PRO A 1 3.888 -1.281 15.479 1.00 0.00 C ATOM 0 H2 PRO A 1 4.319 -3.295 15.538 1.00 0.00 H new ATOM 0 H3 PRO A 1 2.887 -2.913 16.240 1.00 0.00 H new ATOM 0 HA PRO A 1 1.762 -3.273 14.375 1.00 0.00 H new ATOM 0 HB2 PRO A 1 3.155 -1.937 12.308 1.00 0.00 H new ATOM 0 HB3 PRO A 1 1.894 -1.218 13.290 1.00 0.00 H new ATOM 0 HG2 PRO A 1 4.867 -1.006 13.577 1.00 0.00 H new ATOM 0 HG3 PRO A 1 3.634 0.191 13.923 1.00 0.00 H new ATOM 0 HD2 PRO A 1 4.873 -1.149 15.927 1.00 0.00 H new ATOM 0 HD3 PRO A 1 3.189 -0.686 16.066 1.00 0.00 H new ATOM 15 N ASP A 2 4.763 -4.148 13.359 1.00 0.00 N ATOM 16 CA ASP A 2 5.497 -5.208 12.677 1.00 0.00 C ATOM 17 C ASP A 2 6.005 -6.247 13.674 1.00 0.00 C ATOM 18 O ASP A 2 7.186 -6.593 13.682 1.00 0.00 O ATOM 19 CB ASP A 2 6.666 -4.615 11.885 1.00 0.00 C ATOM 20 CG ASP A 2 6.712 -5.123 10.457 1.00 0.00 C ATOM 21 OD1 ASP A 2 5.649 -5.152 9.802 1.00 0.00 O ATOM 22 OD2 ASP A 2 7.811 -5.491 9.992 1.00 0.00 O ATOM 0 H ASP A 2 5.352 -3.420 13.763 1.00 0.00 H new ATOM 0 HA ASP A 2 4.817 -5.705 11.985 1.00 0.00 H new ATOM 0 HB2 ASP A 2 6.583 -3.528 11.879 1.00 0.00 H new ATOM 0 HB3 ASP A 2 7.603 -4.861 12.386 1.00 0.00 H new ATOM 27 N LYS A 3 5.100 -6.742 14.513 1.00 0.00 N ATOM 28 CA LYS A 3 5.451 -7.741 15.515 1.00 0.00 C ATOM 29 C LYS A 3 5.934 -9.033 14.861 1.00 0.00 C ATOM 30 O LYS A 3 6.687 -9.799 15.463 1.00 0.00 O ATOM 31 CB LYS A 3 4.249 -8.032 16.415 1.00 0.00 C ATOM 32 CG LYS A 3 4.627 -8.310 17.862 1.00 0.00 C ATOM 33 CD LYS A 3 4.119 -7.221 18.795 1.00 0.00 C ATOM 34 CE LYS A 3 4.646 -7.407 20.208 1.00 0.00 C ATOM 35 NZ LYS A 3 4.100 -8.635 20.847 1.00 0.00 N ATOM 0 H LYS A 3 4.118 -6.467 14.518 1.00 0.00 H new ATOM 0 HA LYS A 3 6.264 -7.339 16.119 1.00 0.00 H new ATOM 0 HB2 LYS A 3 3.567 -7.182 16.383 1.00 0.00 H new ATOM 0 HB3 LYS A 3 3.707 -8.891 16.018 1.00 0.00 H new ATOM 0 HG2 LYS A 3 4.215 -9.272 18.167 1.00 0.00 H new ATOM 0 HG3 LYS A 3 5.711 -8.386 17.947 1.00 0.00 H new ATOM 0 HD2 LYS A 3 4.425 -6.245 18.417 1.00 0.00 H new ATOM 0 HD3 LYS A 3 3.029 -7.231 18.808 1.00 0.00 H new ATOM 0 HE2 LYS A 3 5.734 -7.463 20.185 1.00 0.00 H new ATOM 0 HE3 LYS A 3 4.384 -6.537 20.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 4.443 -8.699 21.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 3.061 -8.594 20.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 4.414 -9.472 20.315 1.00 0.00 H new ATOM 49 N ASP A 4 5.494 -9.272 13.629 1.00 0.00 N ATOM 50 CA ASP A 4 5.880 -10.474 12.897 1.00 0.00 C ATOM 51 C ASP A 4 5.294 -11.720 13.554 1.00 0.00 C ATOM 52 O ASP A 4 6.022 -12.633 13.944 1.00 0.00 O ATOM 53 CB ASP A 4 7.405 -10.588 12.823 1.00 0.00 C ATOM 54 CG ASP A 4 7.879 -11.150 11.496 1.00 0.00 C ATOM 55 OD1 ASP A 4 7.673 -12.359 11.257 1.00 0.00 O ATOM 56 OD2 ASP A 4 8.456 -10.383 10.698 1.00 0.00 O ATOM 0 H ASP A 4 4.870 -8.649 13.117 1.00 0.00 H new ATOM 0 HA ASP A 4 5.482 -10.397 11.885 1.00 0.00 H new ATOM 0 HB2 ASP A 4 7.848 -9.604 12.977 1.00 0.00 H new ATOM 0 HB3 ASP A 4 7.759 -11.227 13.632 1.00 0.00 H new ATOM 61 N PHE A 5 3.971 -11.748 13.674 1.00 0.00 N ATOM 62 CA PHE A 5 3.281 -12.879 14.285 1.00 0.00 C ATOM 63 C PHE A 5 1.853 -12.988 13.755 1.00 0.00 C ATOM 64 O PHE A 5 0.913 -12.478 14.366 1.00 0.00 O ATOM 65 CB PHE A 5 3.266 -12.732 15.808 1.00 0.00 C ATOM 66 CG PHE A 5 3.654 -13.988 16.535 1.00 0.00 C ATOM 67 CD1 PHE A 5 2.940 -15.161 16.349 1.00 0.00 C ATOM 68 CD2 PHE A 5 4.734 -13.995 17.404 1.00 0.00 C ATOM 69 CE1 PHE A 5 3.294 -16.318 17.017 1.00 0.00 C ATOM 70 CE2 PHE A 5 5.093 -15.149 18.075 1.00 0.00 C ATOM 71 CZ PHE A 5 4.373 -16.312 17.881 1.00 0.00 C ATOM 0 H PHE A 5 3.354 -11.000 13.356 1.00 0.00 H new ATOM 0 HA PHE A 5 3.819 -13.790 14.024 1.00 0.00 H new ATOM 0 HB2 PHE A 5 3.947 -11.931 16.094 1.00 0.00 H new ATOM 0 HB3 PHE A 5 2.268 -12.431 16.126 1.00 0.00 H new ATOM 0 HD1 PHE A 5 2.097 -15.171 15.674 1.00 0.00 H new ATOM 0 HD2 PHE A 5 5.301 -13.089 17.558 1.00 0.00 H new ATOM 0 HE1 PHE A 5 2.729 -17.225 16.864 1.00 0.00 H new ATOM 0 HE2 PHE A 5 5.936 -15.141 18.750 1.00 0.00 H new ATOM 0 HZ PHE A 5 4.653 -17.215 18.403 1.00 0.00 H new ATOM 81 N ILE A 6 1.699 -13.658 12.617 1.00 0.00 N ATOM 82 CA ILE A 6 0.388 -13.835 12.003 1.00 0.00 C ATOM 83 C ILE A 6 -0.357 -12.505 11.901 1.00 0.00 C ATOM 84 O ILE A 6 -1.189 -12.181 12.747 1.00 0.00 O ATOM 85 CB ILE A 6 -0.458 -14.845 12.800 1.00 0.00 C ATOM 86 CG1 ILE A 6 0.212 -16.220 12.793 1.00 0.00 C ATOM 87 CG2 ILE A 6 -1.870 -14.939 12.234 1.00 0.00 C ATOM 88 CD1 ILE A 6 -0.197 -17.097 13.957 1.00 0.00 C ATOM 0 H ILE A 6 2.467 -14.088 12.101 1.00 0.00 H new ATOM 0 HA ILE A 6 0.547 -14.223 10.997 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.528 -14.494 13.830 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -0.032 -16.730 11.861 1.00 0.00 H new ATOM 0 HG13 ILE A 6 1.294 -16.088 12.810 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -2.447 -15.659 12.814 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -2.349 -13.962 12.288 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -1.824 -15.264 11.195 1.00 0.00 H new ATOM 0 HD11 ILE A 6 0.316 -18.056 13.888 1.00 0.00 H new ATOM 0 HD12 ILE A 6 0.072 -16.608 14.893 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -1.274 -17.259 13.929 1.00 0.00 H new ATOM 100 N VAL A 7 -0.045 -11.739 10.859 1.00 0.00 N ATOM 101 CA VAL A 7 -0.668 -10.452 10.639 1.00 0.00 C ATOM 102 C VAL A 7 -1.975 -10.596 9.867 1.00 0.00 C ATOM 103 O VAL A 7 -2.168 -9.969 8.825 1.00 0.00 O ATOM 104 CB VAL A 7 0.270 -9.503 9.872 1.00 0.00 C ATOM 105 CG1 VAL A 7 1.243 -8.824 10.822 1.00 0.00 C ATOM 106 CG2 VAL A 7 1.019 -10.242 8.770 1.00 0.00 C ATOM 0 H VAL A 7 0.643 -11.997 10.152 1.00 0.00 H new ATOM 0 HA VAL A 7 -0.879 -10.029 11.621 1.00 0.00 H new ATOM 0 HB VAL A 7 -0.343 -8.734 9.402 1.00 0.00 H new ATOM 0 HG11 VAL A 7 1.896 -8.158 10.259 1.00 0.00 H new ATOM 0 HG12 VAL A 7 0.687 -8.247 11.561 1.00 0.00 H new ATOM 0 HG13 VAL A 7 1.844 -9.579 11.328 1.00 0.00 H new ATOM 0 HG21 VAL A 7 1.674 -9.546 8.245 1.00 0.00 H new ATOM 0 HG22 VAL A 7 1.616 -11.041 9.209 1.00 0.00 H new ATOM 0 HG23 VAL A 7 0.304 -10.668 8.066 1.00 0.00 H new ATOM 116 N ASN A 8 -2.871 -11.428 10.387 1.00 0.00 N ATOM 117 CA ASN A 8 -4.163 -11.659 9.750 1.00 0.00 C ATOM 118 C ASN A 8 -5.289 -10.983 10.535 1.00 0.00 C ATOM 119 O ASN A 8 -5.735 -11.501 11.557 1.00 0.00 O ATOM 120 CB ASN A 8 -4.437 -13.160 9.638 1.00 0.00 C ATOM 121 CG ASN A 8 -3.562 -13.830 8.596 1.00 0.00 C ATOM 122 OD1 ASN A 8 -3.275 -13.254 7.547 1.00 0.00 O ATOM 123 ND2 ASN A 8 -3.135 -15.055 8.881 1.00 0.00 N ATOM 0 H ASN A 8 -2.726 -11.954 11.249 1.00 0.00 H new ATOM 0 HA ASN A 8 -4.129 -11.225 8.751 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -4.269 -13.631 10.607 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -5.485 -13.318 9.384 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -2.544 -15.556 8.218 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -3.398 -15.494 9.763 1.00 0.00 H new ATOM 130 N PRO A 9 -5.759 -9.811 10.070 1.00 0.00 N ATOM 131 CA PRO A 9 -6.833 -9.067 10.739 1.00 0.00 C ATOM 132 C PRO A 9 -8.158 -9.826 10.728 1.00 0.00 C ATOM 133 O PRO A 9 -9.092 -9.455 10.017 1.00 0.00 O ATOM 134 CB PRO A 9 -6.950 -7.771 9.922 1.00 0.00 C ATOM 135 CG PRO A 9 -5.694 -7.693 9.122 1.00 0.00 C ATOM 136 CD PRO A 9 -5.284 -9.113 8.866 1.00 0.00 C ATOM 0 HA PRO A 9 -6.608 -8.897 11.792 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -7.827 -7.792 9.275 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -7.055 -6.904 10.574 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -5.859 -7.159 8.186 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -4.918 -7.154 9.665 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -5.743 -9.510 7.961 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -4.205 -9.207 8.743 1.00 0.00 H new ATOM 144 N SER A 10 -8.233 -10.889 11.521 1.00 0.00 N ATOM 145 CA SER A 10 -9.445 -11.699 11.605 1.00 0.00 C ATOM 146 C SER A 10 -9.767 -12.347 10.261 1.00 0.00 C ATOM 147 O SER A 10 -10.931 -12.471 9.882 1.00 0.00 O ATOM 148 CB SER A 10 -10.625 -10.844 12.071 1.00 0.00 C ATOM 149 OG SER A 10 -10.769 -10.897 13.481 1.00 0.00 O ATOM 0 H SER A 10 -7.469 -11.211 12.115 1.00 0.00 H new ATOM 0 HA SER A 10 -9.270 -12.491 12.333 1.00 0.00 H new ATOM 0 HB2 SER A 10 -10.476 -9.811 11.756 1.00 0.00 H new ATOM 0 HB3 SER A 10 -11.541 -11.193 11.595 1.00 0.00 H new ATOM 0 HG SER A 10 -11.529 -10.341 13.753 1.00 0.00 H new ATOM 155 N ASP A 11 -8.726 -12.764 9.550 1.00 0.00 N ATOM 156 CA ASP A 11 -8.887 -13.409 8.251 1.00 0.00 C ATOM 157 C ASP A 11 -9.802 -12.599 7.333 1.00 0.00 C ATOM 158 O ASP A 11 -10.640 -13.158 6.627 1.00 0.00 O ATOM 159 CB ASP A 11 -9.449 -14.822 8.429 1.00 0.00 C ATOM 160 CG ASP A 11 -9.381 -15.637 7.152 1.00 0.00 C ATOM 161 OD1 ASP A 11 -8.258 -15.911 6.682 1.00 0.00 O ATOM 162 OD2 ASP A 11 -10.452 -15.999 6.621 1.00 0.00 O ATOM 0 H ASP A 11 -7.757 -12.667 9.852 1.00 0.00 H new ATOM 0 HA ASP A 11 -7.904 -13.465 7.784 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -8.893 -15.335 9.214 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -10.485 -14.759 8.761 1.00 0.00 H new ATOM 167 N LEU A 12 -9.632 -11.280 7.344 1.00 0.00 N ATOM 168 CA LEU A 12 -10.440 -10.402 6.507 1.00 0.00 C ATOM 169 C LEU A 12 -9.778 -9.035 6.353 1.00 0.00 C ATOM 170 O LEU A 12 -9.657 -8.279 7.318 1.00 0.00 O ATOM 171 CB LEU A 12 -11.845 -10.245 7.095 1.00 0.00 C ATOM 172 CG LEU A 12 -11.923 -9.446 8.396 1.00 0.00 C ATOM 173 CD1 LEU A 12 -12.263 -7.991 8.111 1.00 0.00 C ATOM 174 CD2 LEU A 12 -12.950 -10.057 9.339 1.00 0.00 C ATOM 0 H LEU A 12 -8.944 -10.798 7.922 1.00 0.00 H new ATOM 0 HA LEU A 12 -10.521 -10.857 5.520 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -12.480 -9.762 6.352 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -12.260 -11.237 7.272 1.00 0.00 H new ATOM 0 HG LEU A 12 -10.947 -9.483 8.879 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -12.314 -7.439 9.049 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -11.493 -7.555 7.475 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -13.226 -7.935 7.604 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -12.991 -9.474 10.259 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -13.930 -10.052 8.862 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -12.665 -11.083 9.572 1.00 0.00 H new ATOM 186 N VAL A 13 -9.349 -8.727 5.133 1.00 0.00 N ATOM 187 CA VAL A 13 -8.698 -7.457 4.848 1.00 0.00 C ATOM 188 C VAL A 13 -8.862 -7.074 3.378 1.00 0.00 C ATOM 189 O VAL A 13 -7.995 -7.354 2.551 1.00 0.00 O ATOM 190 CB VAL A 13 -7.197 -7.507 5.198 1.00 0.00 C ATOM 191 CG1 VAL A 13 -6.494 -8.601 4.405 1.00 0.00 C ATOM 192 CG2 VAL A 13 -6.542 -6.155 4.957 1.00 0.00 C ATOM 0 H VAL A 13 -9.442 -9.343 4.325 1.00 0.00 H new ATOM 0 HA VAL A 13 -9.181 -6.703 5.470 1.00 0.00 H new ATOM 0 HB VAL A 13 -7.102 -7.744 6.258 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -5.436 -8.618 4.668 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -6.942 -9.566 4.641 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -6.600 -8.402 3.338 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -5.483 -6.213 5.210 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -6.649 -5.881 3.908 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -7.023 -5.401 5.580 1.00 0.00 H new ATOM 202 N LEU A 14 -9.982 -6.432 3.062 1.00 0.00 N ATOM 203 CA LEU A 14 -10.262 -6.011 1.695 1.00 0.00 C ATOM 204 C LEU A 14 -11.502 -5.123 1.645 1.00 0.00 C ATOM 205 O LEU A 14 -12.404 -5.341 0.835 1.00 0.00 O ATOM 206 CB LEU A 14 -10.453 -7.233 0.792 1.00 0.00 C ATOM 207 CG LEU A 14 -9.944 -7.065 -0.641 1.00 0.00 C ATOM 208 CD1 LEU A 14 -10.591 -5.856 -1.298 1.00 0.00 C ATOM 209 CD2 LEU A 14 -8.429 -6.938 -0.657 1.00 0.00 C ATOM 0 H LEU A 14 -10.710 -6.192 3.735 1.00 0.00 H new ATOM 0 HA LEU A 14 -9.410 -5.434 1.334 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -9.944 -8.084 1.245 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -11.514 -7.478 0.758 1.00 0.00 H new ATOM 0 HG LEU A 14 -10.219 -7.952 -1.211 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -10.217 -5.752 -2.317 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -11.673 -5.989 -1.320 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -10.348 -4.959 -0.729 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -8.085 -6.819 -1.684 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -8.131 -6.068 -0.071 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -7.984 -7.835 -0.227 1.00 0.00 H new ATOM 221 N ASP A 15 -11.540 -4.122 2.517 1.00 0.00 N ATOM 222 CA ASP A 15 -12.667 -3.201 2.576 1.00 0.00 C ATOM 223 C ASP A 15 -12.824 -2.439 1.264 1.00 0.00 C ATOM 224 O ASP A 15 -13.922 -2.355 0.712 1.00 0.00 O ATOM 225 CB ASP A 15 -12.487 -2.215 3.735 1.00 0.00 C ATOM 226 CG ASP A 15 -13.704 -2.154 4.637 1.00 0.00 C ATOM 227 OD1 ASP A 15 -14.778 -1.739 4.156 1.00 0.00 O ATOM 228 OD2 ASP A 15 -13.581 -2.521 5.824 1.00 0.00 O ATOM 0 H ASP A 15 -10.802 -3.928 3.194 1.00 0.00 H new ATOM 0 HA ASP A 15 -13.571 -3.787 2.741 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -11.616 -2.505 4.323 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -12.285 -1.221 3.335 1.00 0.00 H new ATOM 233 N ASN A 16 -11.723 -1.885 0.768 1.00 0.00 N ATOM 234 CA ASN A 16 -11.747 -1.129 -0.478 1.00 0.00 C ATOM 235 C ASN A 16 -10.338 -0.938 -1.034 1.00 0.00 C ATOM 236 O ASN A 16 -9.592 -0.073 -0.577 1.00 0.00 O ATOM 237 CB ASN A 16 -12.407 0.234 -0.258 1.00 0.00 C ATOM 238 CG ASN A 16 -11.863 0.950 0.962 1.00 0.00 C ATOM 239 OD1 ASN A 16 -10.851 1.646 0.887 1.00 0.00 O ATOM 240 ND2 ASN A 16 -12.533 0.780 2.096 1.00 0.00 N ATOM 0 H ASN A 16 -10.805 -1.945 1.209 1.00 0.00 H new ATOM 0 HA ASN A 16 -12.328 -1.698 -1.204 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -12.252 0.856 -1.140 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -13.483 0.100 -0.147 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -12.213 1.236 2.951 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -13.368 0.194 2.112 1.00 0.00 H new ATOM 247 N LYS A 17 -9.986 -1.752 -2.027 1.00 0.00 N ATOM 248 CA LYS A 17 -8.669 -1.681 -2.662 1.00 0.00 C ATOM 249 C LYS A 17 -7.550 -1.557 -1.627 1.00 0.00 C ATOM 250 O LYS A 17 -6.631 -0.755 -1.787 1.00 0.00 O ATOM 251 CB LYS A 17 -8.617 -0.503 -3.640 1.00 0.00 C ATOM 252 CG LYS A 17 -8.689 0.861 -2.970 1.00 0.00 C ATOM 253 CD LYS A 17 -8.065 1.941 -3.840 1.00 0.00 C ATOM 254 CE LYS A 17 -7.597 3.126 -3.011 1.00 0.00 C ATOM 255 NZ LYS A 17 -6.142 3.392 -3.194 1.00 0.00 N ATOM 0 H LYS A 17 -10.597 -2.472 -2.412 1.00 0.00 H new ATOM 0 HA LYS A 17 -8.514 -2.611 -3.210 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -7.695 -0.564 -4.218 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -9.442 -0.594 -4.346 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -9.730 1.113 -2.765 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -8.175 0.824 -2.009 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -7.221 1.524 -4.389 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -8.791 2.278 -4.580 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -8.166 4.012 -3.291 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -7.802 2.936 -1.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -5.848 4.163 -2.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -5.601 2.533 -2.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -5.960 3.665 -4.181 1.00 0.00 H new ATOM 269 N ALA A 18 -7.634 -2.360 -0.572 1.00 0.00 N ATOM 270 CA ALA A 18 -6.627 -2.340 0.484 1.00 0.00 C ATOM 271 C ALA A 18 -5.256 -2.730 -0.058 1.00 0.00 C ATOM 272 O ALA A 18 -4.311 -1.943 -0.006 1.00 0.00 O ATOM 273 CB ALA A 18 -7.032 -3.267 1.618 1.00 0.00 C ATOM 0 H ALA A 18 -8.387 -3.032 -0.425 1.00 0.00 H new ATOM 0 HA ALA A 18 -6.560 -1.322 0.869 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -6.271 -3.241 2.398 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -7.987 -2.941 2.031 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -7.129 -4.284 1.239 1.00 0.00 H new ATOM 279 N ALA A 19 -5.153 -3.950 -0.578 1.00 0.00 N ATOM 280 CA ALA A 19 -3.895 -4.442 -1.129 1.00 0.00 C ATOM 281 C ALA A 19 -3.368 -3.509 -2.213 1.00 0.00 C ATOM 282 O ALA A 19 -2.164 -3.444 -2.456 1.00 0.00 O ATOM 283 CB ALA A 19 -4.073 -5.848 -1.679 1.00 0.00 C ATOM 0 H ALA A 19 -5.925 -4.615 -0.629 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.161 -4.470 -0.324 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.126 -6.202 -2.087 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -4.395 -6.514 -0.878 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.826 -5.838 -2.467 1.00 0.00 H new ATOM 289 N LEU A 20 -4.275 -2.782 -2.860 1.00 0.00 N ATOM 290 CA LEU A 20 -3.895 -1.848 -3.912 1.00 0.00 C ATOM 291 C LEU A 20 -2.817 -0.891 -3.411 1.00 0.00 C ATOM 292 O LEU A 20 -1.891 -0.541 -4.143 1.00 0.00 O ATOM 293 CB LEU A 20 -5.117 -1.061 -4.392 1.00 0.00 C ATOM 294 CG LEU A 20 -5.299 -1.007 -5.909 1.00 0.00 C ATOM 295 CD1 LEU A 20 -4.068 -0.410 -6.574 1.00 0.00 C ATOM 296 CD2 LEU A 20 -5.584 -2.396 -6.461 1.00 0.00 C ATOM 0 H LEU A 20 -5.277 -2.823 -2.673 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.494 -2.417 -4.750 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -6.010 -1.502 -3.950 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -5.045 -0.041 -4.014 1.00 0.00 H new ATOM 0 HG LEU A 20 -6.153 -0.367 -6.131 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -4.216 -0.380 -7.653 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.908 0.602 -6.201 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.197 -1.024 -6.344 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -5.711 -2.339 -7.542 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.750 -3.058 -6.228 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -6.495 -2.787 -6.009 1.00 0.00 H new ATOM 308 N ARG A 21 -2.946 -0.478 -2.154 1.00 0.00 N ATOM 309 CA ARG A 21 -1.986 0.429 -1.547 1.00 0.00 C ATOM 310 C ARG A 21 -0.807 -0.341 -0.966 1.00 0.00 C ATOM 311 O ARG A 21 0.281 0.209 -0.798 1.00 0.00 O ATOM 312 CB ARG A 21 -2.655 1.271 -0.460 1.00 0.00 C ATOM 313 CG ARG A 21 -3.218 2.587 -0.971 1.00 0.00 C ATOM 314 CD ARG A 21 -3.125 3.679 0.083 1.00 0.00 C ATOM 315 NE ARG A 21 -3.211 5.015 -0.505 1.00 0.00 N ATOM 316 CZ ARG A 21 -2.192 5.628 -1.104 1.00 0.00 C ATOM 317 NH1 ARG A 21 -1.011 5.030 -1.200 1.00 0.00 N ATOM 318 NH2 ARG A 21 -2.358 6.841 -1.611 1.00 0.00 N ATOM 0 H ARG A 21 -3.708 -0.759 -1.537 1.00 0.00 H new ATOM 0 HA ARG A 21 -1.613 1.096 -2.324 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -3.460 0.692 -0.008 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -1.929 1.477 0.327 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -2.674 2.894 -1.864 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -4.259 2.450 -1.263 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -3.927 3.550 0.810 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -2.184 3.581 0.625 1.00 0.00 H new ATOM 0 HE ARG A 21 -4.104 5.506 -0.453 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -0.880 4.095 -0.814 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -0.235 5.505 -1.660 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -3.265 7.303 -1.542 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -1.579 7.313 -2.070 1.00 0.00 H new ATOM 332 N ASP A 22 -1.023 -1.615 -0.668 1.00 0.00 N ATOM 333 CA ASP A 22 0.034 -2.448 -0.122 1.00 0.00 C ATOM 334 C ASP A 22 0.956 -2.915 -1.233 1.00 0.00 C ATOM 335 O ASP A 22 2.152 -3.116 -1.021 1.00 0.00 O ATOM 336 CB ASP A 22 -0.550 -3.648 0.627 1.00 0.00 C ATOM 337 CG ASP A 22 0.339 -4.109 1.764 1.00 0.00 C ATOM 338 OD1 ASP A 22 0.220 -3.551 2.876 1.00 0.00 O ATOM 339 OD2 ASP A 22 1.157 -5.027 1.545 1.00 0.00 O ATOM 0 H ASP A 22 -1.917 -2.090 -0.795 1.00 0.00 H new ATOM 0 HA ASP A 22 0.609 -1.854 0.588 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.531 -3.384 1.021 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -0.698 -4.472 -0.071 1.00 0.00 H new ATOM 344 N TYR A 23 0.399 -3.060 -2.427 1.00 0.00 N ATOM 345 CA TYR A 23 1.180 -3.476 -3.577 1.00 0.00 C ATOM 346 C TYR A 23 2.215 -2.414 -3.896 1.00 0.00 C ATOM 347 O TYR A 23 3.336 -2.719 -4.305 1.00 0.00 O ATOM 348 CB TYR A 23 0.279 -3.727 -4.787 1.00 0.00 C ATOM 349 CG TYR A 23 1.027 -4.201 -6.011 1.00 0.00 C ATOM 350 CD1 TYR A 23 1.313 -5.549 -6.194 1.00 0.00 C ATOM 351 CD2 TYR A 23 1.450 -3.302 -6.981 1.00 0.00 C ATOM 352 CE1 TYR A 23 1.998 -5.986 -7.311 1.00 0.00 C ATOM 353 CE2 TYR A 23 2.135 -3.732 -8.102 1.00 0.00 C ATOM 354 CZ TYR A 23 2.407 -5.075 -8.262 1.00 0.00 C ATOM 355 OH TYR A 23 3.091 -5.506 -9.375 1.00 0.00 O ATOM 0 H TYR A 23 -0.589 -2.896 -2.622 1.00 0.00 H new ATOM 0 HA TYR A 23 1.686 -4.412 -3.339 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -0.473 -4.470 -4.521 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -0.253 -2.807 -5.030 1.00 0.00 H new ATOM 0 HD1 TYR A 23 0.995 -6.266 -5.451 1.00 0.00 H new ATOM 0 HD2 TYR A 23 1.240 -2.250 -6.858 1.00 0.00 H new ATOM 0 HE1 TYR A 23 2.212 -7.037 -7.439 1.00 0.00 H new ATOM 0 HE2 TYR A 23 2.456 -3.020 -8.849 1.00 0.00 H new ATOM 0 HH TYR A 23 3.305 -4.738 -9.945 1.00 0.00 H new ATOM 365 N LEU A 24 1.836 -1.163 -3.675 1.00 0.00 N ATOM 366 CA LEU A 24 2.733 -0.049 -3.906 1.00 0.00 C ATOM 367 C LEU A 24 3.625 0.164 -2.686 1.00 0.00 C ATOM 368 O LEU A 24 4.692 0.769 -2.783 1.00 0.00 O ATOM 369 CB LEU A 24 1.956 1.230 -4.238 1.00 0.00 C ATOM 370 CG LEU A 24 0.905 1.651 -3.210 1.00 0.00 C ATOM 371 CD1 LEU A 24 1.563 2.332 -2.019 1.00 0.00 C ATOM 372 CD2 LEU A 24 -0.120 2.574 -3.849 1.00 0.00 C ATOM 0 H LEU A 24 0.911 -0.898 -3.336 1.00 0.00 H new ATOM 0 HA LEU A 24 3.360 -0.286 -4.765 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.669 2.046 -4.357 1.00 0.00 H new ATOM 0 HB3 LEU A 24 1.463 1.094 -5.201 1.00 0.00 H new ATOM 0 HG LEU A 24 0.394 0.756 -2.854 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.799 2.624 -1.299 1.00 0.00 H new ATOM 0 HD12 LEU A 24 2.262 1.642 -1.546 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.100 3.218 -2.358 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.861 2.865 -3.105 1.00 0.00 H new ATOM 0 HD22 LEU A 24 0.380 3.464 -4.231 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.615 2.055 -4.670 1.00 0.00 H new ATOM 384 N ARG A 25 3.183 -0.352 -1.537 1.00 0.00 N ATOM 385 CA ARG A 25 3.943 -0.233 -0.306 1.00 0.00 C ATOM 386 C ARG A 25 4.965 -1.360 -0.198 1.00 0.00 C ATOM 387 O ARG A 25 5.988 -1.223 0.472 1.00 0.00 O ATOM 388 CB ARG A 25 3.006 -0.249 0.904 1.00 0.00 C ATOM 389 CG ARG A 25 3.156 0.965 1.807 1.00 0.00 C ATOM 390 CD ARG A 25 1.805 1.535 2.207 1.00 0.00 C ATOM 391 NE ARG A 25 1.924 2.883 2.759 1.00 0.00 N ATOM 392 CZ ARG A 25 0.909 3.739 2.850 1.00 0.00 C ATOM 393 NH1 ARG A 25 -0.303 3.392 2.426 1.00 0.00 N ATOM 394 NH2 ARG A 25 1.103 4.945 3.365 1.00 0.00 N ATOM 0 H ARG A 25 2.301 -0.855 -1.441 1.00 0.00 H new ATOM 0 HA ARG A 25 4.476 0.718 -0.321 1.00 0.00 H new ATOM 0 HB2 ARG A 25 1.975 -0.306 0.554 1.00 0.00 H new ATOM 0 HB3 ARG A 25 3.195 -1.150 1.487 1.00 0.00 H new ATOM 0 HG2 ARG A 25 3.714 0.687 2.701 1.00 0.00 H new ATOM 0 HG3 ARG A 25 3.737 1.731 1.294 1.00 0.00 H new ATOM 0 HD2 ARG A 25 1.148 1.555 1.338 1.00 0.00 H new ATOM 0 HD3 ARG A 25 1.339 0.881 2.944 1.00 0.00 H new ATOM 0 HE ARG A 25 2.839 3.185 3.094 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -0.458 2.466 2.029 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -1.077 4.052 2.498 1.00 0.00 H new ATOM 0 HH21 ARG A 25 2.030 5.217 3.692 1.00 0.00 H new ATOM 0 HH22 ARG A 25 0.325 5.601 3.435 1.00 0.00 H new ATOM 408 N GLN A 26 4.677 -2.475 -0.863 1.00 0.00 N ATOM 409 CA GLN A 26 5.564 -3.626 -0.847 1.00 0.00 C ATOM 410 C GLN A 26 6.358 -3.734 -2.149 1.00 0.00 C ATOM 411 O GLN A 26 7.261 -4.562 -2.263 1.00 0.00 O ATOM 412 CB GLN A 26 4.763 -4.908 -0.614 1.00 0.00 C ATOM 413 CG GLN A 26 5.580 -6.031 0.004 1.00 0.00 C ATOM 414 CD GLN A 26 4.720 -7.195 0.457 1.00 0.00 C ATOM 415 OE1 GLN A 26 4.920 -8.332 0.031 1.00 0.00 O ATOM 416 NE2 GLN A 26 3.755 -6.915 1.326 1.00 0.00 N ATOM 0 H GLN A 26 3.832 -2.603 -1.421 1.00 0.00 H new ATOM 0 HA GLN A 26 6.272 -3.492 -0.029 1.00 0.00 H new ATOM 0 HB2 GLN A 26 3.917 -4.685 0.036 1.00 0.00 H new ATOM 0 HB3 GLN A 26 4.353 -5.249 -1.565 1.00 0.00 H new ATOM 0 HG2 GLN A 26 6.312 -6.385 -0.722 1.00 0.00 H new ATOM 0 HG3 GLN A 26 6.138 -5.643 0.856 1.00 0.00 H new ATOM 0 HE21 GLN A 26 3.625 -5.958 1.653 1.00 0.00 H new ATOM 0 HE22 GLN A 26 3.144 -7.657 1.667 1.00 0.00 H new ATOM 425 N ILE A 27 6.019 -2.895 -3.127 1.00 0.00 N ATOM 426 CA ILE A 27 6.708 -2.904 -4.413 1.00 0.00 C ATOM 427 C ILE A 27 8.218 -2.827 -4.219 1.00 0.00 C ATOM 428 O ILE A 27 8.979 -3.563 -4.850 1.00 0.00 O ATOM 429 CB ILE A 27 6.222 -1.739 -5.312 1.00 0.00 C ATOM 430 CG1 ILE A 27 6.131 -2.197 -6.768 1.00 0.00 C ATOM 431 CG2 ILE A 27 7.122 -0.512 -5.193 1.00 0.00 C ATOM 432 CD1 ILE A 27 7.473 -2.524 -7.383 1.00 0.00 C ATOM 0 H ILE A 27 5.273 -2.203 -3.052 1.00 0.00 H new ATOM 0 HA ILE A 27 6.470 -3.844 -4.911 1.00 0.00 H new ATOM 0 HB ILE A 27 5.230 -1.448 -4.966 1.00 0.00 H new ATOM 0 HG12 ILE A 27 5.490 -3.077 -6.824 1.00 0.00 H new ATOM 0 HG13 ILE A 27 5.651 -1.415 -7.357 1.00 0.00 H new ATOM 0 HG21 ILE A 27 6.745 0.280 -5.840 1.00 0.00 H new ATOM 0 HG22 ILE A 27 7.129 -0.165 -4.160 1.00 0.00 H new ATOM 0 HG23 ILE A 27 8.136 -0.774 -5.494 1.00 0.00 H new ATOM 0 HD11 ILE A 27 7.332 -2.842 -8.416 1.00 0.00 H new ATOM 0 HD12 ILE A 27 8.110 -1.639 -7.359 1.00 0.00 H new ATOM 0 HD13 ILE A 27 7.946 -3.327 -6.818 1.00 0.00 H new ATOM 444 N ASN A 28 8.640 -1.931 -3.337 1.00 0.00 N ATOM 445 CA ASN A 28 10.052 -1.749 -3.046 1.00 0.00 C ATOM 446 C ASN A 28 10.554 -2.828 -2.095 1.00 0.00 C ATOM 447 O ASN A 28 11.739 -3.162 -2.096 1.00 0.00 O ATOM 448 CB ASN A 28 10.301 -0.362 -2.448 1.00 0.00 C ATOM 449 CG ASN A 28 11.760 0.046 -2.519 1.00 0.00 C ATOM 450 OD1 ASN A 28 12.433 -0.181 -3.524 1.00 0.00 O ATOM 451 ND2 ASN A 28 12.255 0.652 -1.447 1.00 0.00 N ATOM 0 H ASN A 28 8.020 -1.317 -2.809 1.00 0.00 H new ATOM 0 HA ASN A 28 10.603 -1.832 -3.983 1.00 0.00 H new ATOM 0 HB2 ASN A 28 9.695 0.373 -2.978 1.00 0.00 H new ATOM 0 HB3 ASN A 28 9.975 -0.354 -1.408 1.00 0.00 H new ATOM 0 HD21 ASN A 28 13.230 0.950 -1.434 1.00 0.00 H new ATOM 0 HD22 ASN A 28 11.660 0.820 -0.636 1.00 0.00 H new ATOM 458 N GLU A 29 9.649 -3.384 -1.293 1.00 0.00 N ATOM 459 CA GLU A 29 10.016 -4.432 -0.360 1.00 0.00 C ATOM 460 C GLU A 29 9.844 -5.804 -1.000 1.00 0.00 C ATOM 461 O GLU A 29 9.611 -6.803 -0.322 1.00 0.00 O ATOM 462 CB GLU A 29 9.191 -4.334 0.924 1.00 0.00 C ATOM 463 CG GLU A 29 9.665 -3.241 1.868 1.00 0.00 C ATOM 464 CD GLU A 29 8.861 -3.193 3.152 1.00 0.00 C ATOM 465 OE1 GLU A 29 7.622 -3.325 3.084 1.00 0.00 O ATOM 466 OE2 GLU A 29 9.473 -3.022 4.229 1.00 0.00 O ATOM 0 H GLU A 29 8.663 -3.124 -1.274 1.00 0.00 H new ATOM 0 HA GLU A 29 11.066 -4.300 -0.100 1.00 0.00 H new ATOM 0 HB2 GLU A 29 8.149 -4.151 0.663 1.00 0.00 H new ATOM 0 HB3 GLU A 29 9.226 -5.292 1.443 1.00 0.00 H new ATOM 0 HG2 GLU A 29 10.716 -3.403 2.107 1.00 0.00 H new ATOM 0 HG3 GLU A 29 9.598 -2.276 1.365 1.00 0.00 H new ATOM 473 N TYR A 30 9.979 -5.828 -2.316 1.00 0.00 N ATOM 474 CA TYR A 30 9.866 -7.048 -3.089 1.00 0.00 C ATOM 475 C TYR A 30 11.090 -7.213 -3.979 1.00 0.00 C ATOM 476 O TYR A 30 11.548 -8.328 -4.228 1.00 0.00 O ATOM 477 CB TYR A 30 8.591 -7.036 -3.936 1.00 0.00 C ATOM 478 CG TYR A 30 7.850 -8.353 -3.934 1.00 0.00 C ATOM 479 CD1 TYR A 30 7.034 -8.711 -2.867 1.00 0.00 C ATOM 480 CD2 TYR A 30 7.965 -9.238 -4.997 1.00 0.00 C ATOM 481 CE1 TYR A 30 6.356 -9.915 -2.860 1.00 0.00 C ATOM 482 CE2 TYR A 30 7.289 -10.444 -4.998 1.00 0.00 C ATOM 483 CZ TYR A 30 6.486 -10.777 -3.929 1.00 0.00 C ATOM 484 OH TYR A 30 5.811 -11.976 -3.927 1.00 0.00 O ATOM 0 H TYR A 30 10.171 -4.998 -2.877 1.00 0.00 H new ATOM 0 HA TYR A 30 9.810 -7.892 -2.401 1.00 0.00 H new ATOM 0 HB2 TYR A 30 7.927 -6.255 -3.567 1.00 0.00 H new ATOM 0 HB3 TYR A 30 8.849 -6.776 -4.962 1.00 0.00 H new ATOM 0 HD1 TYR A 30 6.928 -8.037 -2.030 1.00 0.00 H new ATOM 0 HD2 TYR A 30 8.593 -8.980 -5.837 1.00 0.00 H new ATOM 0 HE1 TYR A 30 5.728 -10.180 -2.022 1.00 0.00 H new ATOM 0 HE2 TYR A 30 7.390 -11.122 -5.833 1.00 0.00 H new ATOM 0 HH TYR A 30 6.010 -12.465 -4.753 1.00 0.00 H new ATOM 494 N PHE A 31 11.621 -6.087 -4.440 1.00 0.00 N ATOM 495 CA PHE A 31 12.799 -6.086 -5.285 1.00 0.00 C ATOM 496 C PHE A 31 14.032 -5.633 -4.502 1.00 0.00 C ATOM 497 O PHE A 31 15.159 -5.758 -4.979 1.00 0.00 O ATOM 498 CB PHE A 31 12.585 -5.176 -6.497 1.00 0.00 C ATOM 499 CG PHE A 31 11.572 -5.705 -7.472 1.00 0.00 C ATOM 500 CD1 PHE A 31 11.843 -6.833 -8.230 1.00 0.00 C ATOM 501 CD2 PHE A 31 10.350 -5.073 -7.630 1.00 0.00 C ATOM 502 CE1 PHE A 31 10.913 -7.321 -9.127 1.00 0.00 C ATOM 503 CE2 PHE A 31 9.415 -5.556 -8.527 1.00 0.00 C ATOM 504 CZ PHE A 31 9.697 -6.683 -9.276 1.00 0.00 C ATOM 0 H PHE A 31 11.248 -5.159 -4.239 1.00 0.00 H new ATOM 0 HA PHE A 31 12.966 -7.106 -5.632 1.00 0.00 H new ATOM 0 HB2 PHE A 31 12.266 -4.193 -6.151 1.00 0.00 H new ATOM 0 HB3 PHE A 31 13.536 -5.040 -7.012 1.00 0.00 H new ATOM 0 HD1 PHE A 31 12.792 -7.336 -8.118 1.00 0.00 H new ATOM 0 HD2 PHE A 31 10.125 -4.193 -7.046 1.00 0.00 H new ATOM 0 HE1 PHE A 31 11.136 -8.201 -9.712 1.00 0.00 H new ATOM 0 HE2 PHE A 31 8.466 -5.054 -8.642 1.00 0.00 H new ATOM 0 HZ PHE A 31 8.968 -7.064 -9.976 1.00 0.00 H new ATOM 514 N ALA A 32 13.814 -5.105 -3.297 1.00 0.00 N ATOM 515 CA ALA A 32 14.910 -4.638 -2.463 1.00 0.00 C ATOM 516 C ALA A 32 15.752 -5.805 -1.955 1.00 0.00 C ATOM 517 O ALA A 32 16.959 -5.862 -2.189 1.00 0.00 O ATOM 518 CB ALA A 32 14.375 -3.825 -1.295 1.00 0.00 C ATOM 0 H ALA A 32 12.889 -4.992 -2.882 1.00 0.00 H new ATOM 0 HA ALA A 32 15.550 -4.001 -3.073 1.00 0.00 H new ATOM 0 HB1 ALA A 32 15.206 -3.482 -0.679 1.00 0.00 H new ATOM 0 HB2 ALA A 32 13.824 -2.964 -1.673 1.00 0.00 H new ATOM 0 HB3 ALA A 32 13.710 -4.446 -0.694 1.00 0.00 H new ATOM 524 N ILE A 33 15.106 -6.731 -1.253 1.00 0.00 N ATOM 525 CA ILE A 33 15.789 -7.891 -0.705 1.00 0.00 C ATOM 526 C ILE A 33 15.878 -9.022 -1.727 1.00 0.00 C ATOM 527 O ILE A 33 16.891 -9.717 -1.808 1.00 0.00 O ATOM 528 CB ILE A 33 15.079 -8.414 0.559 1.00 0.00 C ATOM 529 CG1 ILE A 33 14.826 -7.268 1.542 1.00 0.00 C ATOM 530 CG2 ILE A 33 15.906 -9.508 1.218 1.00 0.00 C ATOM 531 CD1 ILE A 33 13.635 -7.501 2.446 1.00 0.00 C ATOM 0 H ILE A 33 14.107 -6.697 -1.051 1.00 0.00 H new ATOM 0 HA ILE A 33 16.796 -7.566 -0.444 1.00 0.00 H new ATOM 0 HB ILE A 33 14.118 -8.837 0.267 1.00 0.00 H new ATOM 0 HG12 ILE A 33 15.715 -7.123 2.156 1.00 0.00 H new ATOM 0 HG13 ILE A 33 14.672 -6.346 0.981 1.00 0.00 H new ATOM 0 HG21 ILE A 33 15.391 -9.867 2.109 1.00 0.00 H new ATOM 0 HG22 ILE A 33 16.040 -10.334 0.519 1.00 0.00 H new ATOM 0 HG23 ILE A 33 16.881 -9.108 1.498 1.00 0.00 H new ATOM 0 HD11 ILE A 33 13.515 -6.650 3.116 1.00 0.00 H new ATOM 0 HD12 ILE A 33 12.736 -7.616 1.841 1.00 0.00 H new ATOM 0 HD13 ILE A 33 13.795 -8.405 3.033 1.00 0.00 H new ATOM 543 N ILE A 34 14.811 -9.209 -2.495 1.00 0.00 N ATOM 544 CA ILE A 34 14.769 -10.260 -3.498 1.00 0.00 C ATOM 545 C ILE A 34 15.153 -9.738 -4.879 1.00 0.00 C ATOM 546 O ILE A 34 14.732 -10.288 -5.897 1.00 0.00 O ATOM 547 CB ILE A 34 13.373 -10.910 -3.580 1.00 0.00 C ATOM 548 CG1 ILE A 34 12.823 -11.178 -2.178 1.00 0.00 C ATOM 549 CG2 ILE A 34 13.437 -12.198 -4.388 1.00 0.00 C ATOM 550 CD1 ILE A 34 11.821 -10.145 -1.714 1.00 0.00 C ATOM 0 H ILE A 34 13.963 -8.644 -2.440 1.00 0.00 H new ATOM 0 HA ILE A 34 15.496 -11.009 -3.186 1.00 0.00 H new ATOM 0 HB ILE A 34 12.697 -10.220 -4.085 1.00 0.00 H new ATOM 0 HG12 ILE A 34 12.352 -12.161 -2.163 1.00 0.00 H new ATOM 0 HG13 ILE A 34 13.652 -11.211 -1.471 1.00 0.00 H new ATOM 0 HG21 ILE A 34 12.445 -12.646 -4.438 1.00 0.00 H new ATOM 0 HG22 ILE A 34 13.787 -11.978 -5.397 1.00 0.00 H new ATOM 0 HG23 ILE A 34 14.126 -12.894 -3.909 1.00 0.00 H new ATOM 0 HD11 ILE A 34 11.474 -10.399 -0.712 1.00 0.00 H new ATOM 0 HD12 ILE A 34 12.293 -9.163 -1.696 1.00 0.00 H new ATOM 0 HD13 ILE A 34 10.973 -10.128 -2.398 1.00 0.00 H new ATOM 562 N GLY A 35 15.951 -8.677 -4.910 1.00 0.00 N ATOM 563 CA GLY A 35 16.372 -8.108 -6.177 1.00 0.00 C ATOM 564 C GLY A 35 17.773 -7.533 -6.121 1.00 0.00 C ATOM 565 O GLY A 35 18.751 -8.236 -6.371 1.00 0.00 O ATOM 0 H GLY A 35 16.313 -8.202 -4.083 1.00 0.00 H new ATOM 0 HA2 GLY A 35 16.329 -8.877 -6.948 1.00 0.00 H new ATOM 0 HA3 GLY A 35 15.673 -7.324 -6.469 1.00 0.00 H new ATOM 569 N ARG A 36 17.867 -6.247 -5.797 1.00 0.00 N ATOM 570 CA ARG A 36 19.158 -5.571 -5.712 1.00 0.00 C ATOM 571 C ARG A 36 19.967 -6.081 -4.518 1.00 0.00 C ATOM 572 O ARG A 36 19.607 -5.830 -3.367 1.00 0.00 O ATOM 573 CB ARG A 36 18.953 -4.058 -5.597 1.00 0.00 C ATOM 574 CG ARG A 36 19.365 -3.294 -6.844 1.00 0.00 C ATOM 575 CD ARG A 36 18.217 -3.182 -7.834 1.00 0.00 C ATOM 576 NE ARG A 36 17.427 -1.970 -7.624 1.00 0.00 N ATOM 577 CZ ARG A 36 16.250 -1.743 -8.202 1.00 0.00 C ATOM 578 NH1 ARG A 36 15.723 -2.641 -9.025 1.00 0.00 N ATOM 579 NH2 ARG A 36 15.598 -0.615 -7.957 1.00 0.00 N ATOM 0 H ARG A 36 17.065 -5.652 -5.589 1.00 0.00 H new ATOM 0 HA ARG A 36 19.717 -5.790 -6.622 1.00 0.00 H new ATOM 0 HB2 ARG A 36 17.902 -3.857 -5.388 1.00 0.00 H new ATOM 0 HB3 ARG A 36 19.525 -3.685 -4.747 1.00 0.00 H new ATOM 0 HG2 ARG A 36 19.705 -2.297 -6.565 1.00 0.00 H new ATOM 0 HG3 ARG A 36 20.208 -3.797 -7.318 1.00 0.00 H new ATOM 0 HD2 ARG A 36 18.613 -3.185 -8.850 1.00 0.00 H new ATOM 0 HD3 ARG A 36 17.572 -4.056 -7.741 1.00 0.00 H new ATOM 0 HE ARG A 36 17.800 -1.256 -6.998 1.00 0.00 H new ATOM 0 HH11 ARG A 36 16.220 -3.510 -9.217 1.00 0.00 H new ATOM 0 HH12 ARG A 36 14.821 -2.462 -9.465 1.00 0.00 H new ATOM 0 HH21 ARG A 36 15.999 0.079 -7.326 1.00 0.00 H new ATOM 0 HH22 ARG A 36 14.696 -0.441 -8.400 1.00 0.00 H new ATOM 593 N PRO A 37 21.073 -6.804 -4.771 1.00 0.00 N ATOM 594 CA PRO A 37 21.925 -7.343 -3.706 1.00 0.00 C ATOM 595 C PRO A 37 22.530 -6.241 -2.842 1.00 0.00 C ATOM 596 O PRO A 37 22.961 -5.206 -3.350 1.00 0.00 O ATOM 597 CB PRO A 37 23.030 -8.095 -4.459 1.00 0.00 C ATOM 598 CG PRO A 37 22.486 -8.321 -5.828 1.00 0.00 C ATOM 599 CD PRO A 37 21.584 -7.155 -6.108 1.00 0.00 C ATOM 0 HA PRO A 37 21.360 -7.975 -3.020 1.00 0.00 H new ATOM 0 HB2 PRO A 37 23.951 -7.512 -4.492 1.00 0.00 H new ATOM 0 HB3 PRO A 37 23.268 -9.039 -3.969 1.00 0.00 H new ATOM 0 HG2 PRO A 37 23.289 -8.379 -6.563 1.00 0.00 H new ATOM 0 HG3 PRO A 37 21.937 -9.261 -5.880 1.00 0.00 H new ATOM 0 HD2 PRO A 37 22.125 -6.326 -6.564 1.00 0.00 H new ATOM 0 HD3 PRO A 37 20.778 -7.423 -6.791 1.00 0.00 H new ATOM 607 N ARG A 38 22.560 -6.470 -1.533 1.00 0.00 N ATOM 608 CA ARG A 38 23.114 -5.495 -0.599 1.00 0.00 C ATOM 609 C ARG A 38 23.087 -6.033 0.827 1.00 0.00 C ATOM 610 O ARG A 38 22.271 -6.892 1.162 1.00 0.00 O ATOM 611 CB ARG A 38 22.336 -4.181 -0.676 1.00 0.00 C ATOM 612 CG ARG A 38 23.184 -2.954 -0.386 1.00 0.00 C ATOM 613 CD ARG A 38 23.791 -2.383 -1.658 1.00 0.00 C ATOM 614 NE ARG A 38 22.827 -1.584 -2.413 1.00 0.00 N ATOM 615 CZ ARG A 38 23.167 -0.699 -3.346 1.00 0.00 C ATOM 616 NH1 ARG A 38 24.445 -0.496 -3.646 1.00 0.00 N ATOM 617 NH2 ARG A 38 22.227 -0.014 -3.983 1.00 0.00 N ATOM 0 H ARG A 38 22.208 -7.321 -1.095 1.00 0.00 H new ATOM 0 HA ARG A 38 24.151 -5.310 -0.880 1.00 0.00 H new ATOM 0 HB2 ARG A 38 21.900 -4.084 -1.670 1.00 0.00 H new ATOM 0 HB3 ARG A 38 21.509 -4.216 0.033 1.00 0.00 H new ATOM 0 HG2 ARG A 38 22.572 -2.194 0.099 1.00 0.00 H new ATOM 0 HG3 ARG A 38 23.979 -3.217 0.312 1.00 0.00 H new ATOM 0 HD2 ARG A 38 24.653 -1.766 -1.403 1.00 0.00 H new ATOM 0 HD3 ARG A 38 24.156 -3.198 -2.283 1.00 0.00 H new ATOM 0 HE ARG A 38 21.835 -1.713 -2.212 1.00 0.00 H new ATOM 0 HH11 ARG A 38 25.172 -1.020 -3.160 1.00 0.00 H new ATOM 0 HH12 ARG A 38 24.699 0.184 -4.363 1.00 0.00 H new ATOM 0 HH21 ARG A 38 21.244 -0.166 -3.757 1.00 0.00 H new ATOM 0 HH22 ARG A 38 22.487 0.665 -4.699 1.00 0.00 H new ATOM 631 N PHE A 39 23.983 -5.520 1.664 1.00 0.00 N ATOM 632 CA PHE A 39 24.061 -5.949 3.056 1.00 0.00 C ATOM 633 C PHE A 39 24.350 -7.444 3.150 1.00 0.00 C ATOM 634 O PHE A 39 23.829 -8.135 4.026 1.00 0.00 O ATOM 635 CB PHE A 39 22.757 -5.623 3.786 1.00 0.00 C ATOM 636 CG PHE A 39 22.257 -4.231 3.526 1.00 0.00 C ATOM 637 CD1 PHE A 39 23.072 -3.134 3.753 1.00 0.00 C ATOM 638 CD2 PHE A 39 20.971 -4.019 3.055 1.00 0.00 C ATOM 639 CE1 PHE A 39 22.614 -1.851 3.515 1.00 0.00 C ATOM 640 CE2 PHE A 39 20.508 -2.740 2.814 1.00 0.00 C ATOM 641 CZ PHE A 39 21.331 -1.654 3.044 1.00 0.00 C ATOM 0 H PHE A 39 24.665 -4.807 1.403 1.00 0.00 H new ATOM 0 HA PHE A 39 24.880 -5.409 3.531 1.00 0.00 H new ATOM 0 HB2 PHE A 39 21.992 -6.338 3.483 1.00 0.00 H new ATOM 0 HB3 PHE A 39 22.908 -5.752 4.858 1.00 0.00 H new ATOM 0 HD1 PHE A 39 24.077 -3.282 4.120 1.00 0.00 H new ATOM 0 HD2 PHE A 39 20.323 -4.864 2.874 1.00 0.00 H new ATOM 0 HE1 PHE A 39 23.259 -1.004 3.697 1.00 0.00 H new ATOM 0 HE2 PHE A 39 19.504 -2.589 2.446 1.00 0.00 H new ATOM 0 HZ PHE A 39 20.971 -0.653 2.856 1.00 0.00 H new HETATM 651 N NH2 A 40 25.184 -7.944 2.245 1.00 0.00 N TER 654 NH2 A 40