USER MOD reduce.3.24.130724 H: found=0, std=0, add=781, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 783 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 72 MET CE :methyl -107:sc= -0.053 (180deg=-0.555) USER MOD Set 1.2: A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 25 GLN : amide:sc= 0.578 K(o=1.5,f=-4.2!) USER MOD Set 2.2: A 80 SER OG : rot -124:sc= 0.96 USER MOD Single : A 9 ASN : amide:sc= -0.401 X(o=-0.4,f=-0.66) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 64:sc= 1.21 USER MOD Single : A 32 THR OG1 : rot -52:sc= 1.17 USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 35 MET CE :methyl -106:sc= 0 (180deg=-2.16!) USER MOD Single : A 40 TYR OH : rot 180:sc= -1.57 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl -112:sc= -0.0301 (180deg=-0.351) USER MOD Single : A 50 MET CE :methyl 170:sc= 0 (180deg=-0.0824) USER MOD Single : A 51 TYR OH : rot -39:sc= 0.363 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= -1.26 X(o=-1.3,f=-1.5!) USER MOD Single : A 89 GLN : amide:sc= -4.6 K(o=-4.6,f=-2.5!) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= -1.31 K(o=-1.3,f=-2) USER MOD Single : A 96 TYR OH : rot 25:sc= -0.593 USER MOD Single : A 101 GLN : amide:sc= -0.0296 K(o=-0.03,f=-1.1) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 THR OG1 : rot 180:sc= -0.649 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 114 GLN : amide:sc= -2.5 X(o=-2.5,f=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 32 N PHE A 3 2.899 -1.810 14.660 1.00 0.00 N ATOM 33 CA PHE A 3 3.230 -1.897 13.234 1.00 0.00 C ATOM 34 C PHE A 3 4.074 -0.698 12.829 1.00 0.00 C ATOM 35 O PHE A 3 3.870 0.409 13.344 1.00 0.00 O ATOM 36 CB PHE A 3 1.948 -1.938 12.391 1.00 0.00 C ATOM 37 CG PHE A 3 1.150 -3.176 12.736 1.00 0.00 C ATOM 38 CD1 PHE A 3 0.157 -3.112 13.721 1.00 0.00 C ATOM 39 CD2 PHE A 3 1.402 -4.382 12.073 1.00 0.00 C ATOM 40 CE1 PHE A 3 -0.581 -4.254 14.045 1.00 0.00 C ATOM 41 CE2 PHE A 3 0.662 -5.525 12.397 1.00 0.00 C ATOM 42 CZ PHE A 3 -0.330 -5.460 13.383 1.00 0.00 C ATOM 0 HA PHE A 3 3.795 -2.813 13.059 1.00 0.00 H new ATOM 0 HB2 PHE A 3 1.351 -1.045 12.576 1.00 0.00 H new ATOM 0 HB3 PHE A 3 2.199 -1.939 11.330 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -0.039 -2.180 14.231 1.00 0.00 H new ATOM 0 HD2 PHE A 3 2.167 -4.431 11.312 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -1.345 -4.205 14.807 1.00 0.00 H new ATOM 0 HE2 PHE A 3 0.856 -6.457 11.887 1.00 0.00 H new ATOM 0 HZ PHE A 3 -0.902 -6.342 13.632 1.00 0.00 H new ATOM 52 N ARG A 4 5.045 -0.919 11.926 1.00 0.00 N ATOM 53 CA ARG A 4 5.933 0.160 11.494 1.00 0.00 C ATOM 54 C ARG A 4 6.286 0.065 10.008 1.00 0.00 C ATOM 55 O ARG A 4 6.357 -1.019 9.427 1.00 0.00 O ATOM 56 CB ARG A 4 7.216 0.194 12.352 1.00 0.00 C ATOM 57 CG ARG A 4 8.055 1.434 11.978 1.00 0.00 C ATOM 58 CD ARG A 4 9.255 1.555 12.904 1.00 0.00 C ATOM 59 NE ARG A 4 10.179 0.417 12.710 1.00 0.00 N ATOM 60 CZ ARG A 4 10.312 -0.610 13.597 1.00 0.00 C ATOM 61 NH1 ARG A 4 9.599 -0.667 14.708 1.00 0.00 N ATOM 62 NH2 ARG A 4 11.167 -1.563 13.341 1.00 0.00 N ATOM 0 H ARG A 4 5.229 -1.823 11.490 1.00 0.00 H new ATOM 0 HA ARG A 4 5.388 1.093 11.638 1.00 0.00 H new ATOM 0 HB2 ARG A 4 6.957 0.223 13.410 1.00 0.00 H new ATOM 0 HB3 ARG A 4 7.798 -0.714 12.191 1.00 0.00 H new ATOM 0 HG2 ARG A 4 8.391 1.356 10.944 1.00 0.00 H new ATOM 0 HG3 ARG A 4 7.441 2.332 12.047 1.00 0.00 H new ATOM 0 HD2 ARG A 4 9.778 2.492 12.710 1.00 0.00 H new ATOM 0 HD3 ARG A 4 8.920 1.585 13.941 1.00 0.00 H new ATOM 0 HE ARG A 4 10.749 0.399 11.865 1.00 0.00 H new ATOM 0 HH11 ARG A 4 8.927 0.070 14.921 1.00 0.00 H new ATOM 0 HH12 ARG A 4 9.721 -1.448 15.353 1.00 0.00 H new ATOM 0 HH21 ARG A 4 11.724 -1.533 12.487 1.00 0.00 H new ATOM 0 HH22 ARG A 4 11.278 -2.338 13.995 1.00 0.00 H new ATOM 76 N VAL A 5 6.519 1.233 9.430 1.00 0.00 N ATOM 77 CA VAL A 5 6.888 1.379 8.029 1.00 0.00 C ATOM 78 C VAL A 5 8.266 2.059 7.953 1.00 0.00 C ATOM 79 O VAL A 5 8.558 2.953 8.756 1.00 0.00 O ATOM 80 CB VAL A 5 5.834 2.244 7.303 1.00 0.00 C ATOM 81 CG1 VAL A 5 6.196 2.401 5.820 1.00 0.00 C ATOM 82 CG2 VAL A 5 4.446 1.589 7.413 1.00 0.00 C ATOM 0 H VAL A 5 6.456 2.121 9.928 1.00 0.00 H new ATOM 0 HA VAL A 5 6.931 0.401 7.549 1.00 0.00 H new ATOM 0 HB VAL A 5 5.816 3.226 7.775 1.00 0.00 H new ATOM 0 HG11 VAL A 5 5.443 3.013 5.324 1.00 0.00 H new ATOM 0 HG12 VAL A 5 7.170 2.882 5.732 1.00 0.00 H new ATOM 0 HG13 VAL A 5 6.233 1.419 5.349 1.00 0.00 H new ATOM 0 HG21 VAL A 5 3.710 2.207 6.898 1.00 0.00 H new ATOM 0 HG22 VAL A 5 4.473 0.600 6.956 1.00 0.00 H new ATOM 0 HG23 VAL A 5 4.170 1.496 8.463 1.00 0.00 H new ATOM 92 N VAL A 6 9.117 1.615 7.010 1.00 0.00 N ATOM 93 CA VAL A 6 10.464 2.194 6.870 1.00 0.00 C ATOM 94 C VAL A 6 10.481 3.207 5.726 1.00 0.00 C ATOM 95 O VAL A 6 10.212 2.864 4.565 1.00 0.00 O ATOM 96 CB VAL A 6 11.524 1.090 6.615 1.00 0.00 C ATOM 97 CG1 VAL A 6 12.933 1.708 6.548 1.00 0.00 C ATOM 98 CG2 VAL A 6 11.485 0.046 7.741 1.00 0.00 C ATOM 0 H VAL A 6 8.901 0.872 6.346 1.00 0.00 H new ATOM 0 HA VAL A 6 10.715 2.698 7.803 1.00 0.00 H new ATOM 0 HB VAL A 6 11.294 0.608 5.665 1.00 0.00 H new ATOM 0 HG11 VAL A 6 13.667 0.922 6.369 1.00 0.00 H new ATOM 0 HG12 VAL A 6 12.973 2.434 5.736 1.00 0.00 H new ATOM 0 HG13 VAL A 6 13.157 2.205 7.492 1.00 0.00 H new ATOM 0 HG21 VAL A 6 12.233 -0.723 7.550 1.00 0.00 H new ATOM 0 HG22 VAL A 6 11.697 0.531 8.694 1.00 0.00 H new ATOM 0 HG23 VAL A 6 10.496 -0.411 7.779 1.00 0.00 H new ATOM 108 N GLY A 7 10.776 4.453 6.085 1.00 0.00 N ATOM 109 CA GLY A 7 10.820 5.567 5.137 1.00 0.00 C ATOM 110 C GLY A 7 12.265 6.148 4.874 1.00 0.00 C ATOM 111 O GLY A 7 12.519 6.625 3.765 1.00 0.00 O ATOM 0 H GLY A 7 10.992 4.722 7.045 1.00 0.00 H new ATOM 0 HA2 GLY A 7 10.397 5.237 4.188 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.182 6.369 5.509 1.00 0.00 H new ATOM 115 N PRO A 8 13.221 6.134 5.856 1.00 0.00 N ATOM 116 CA PRO A 8 14.612 6.695 5.642 1.00 0.00 C ATOM 117 C PRO A 8 15.331 6.133 4.404 1.00 0.00 C ATOM 118 O PRO A 8 16.421 6.595 4.069 1.00 0.00 O ATOM 119 CB PRO A 8 15.364 6.306 6.914 1.00 0.00 C ATOM 120 CG PRO A 8 14.311 6.186 7.953 1.00 0.00 C ATOM 121 CD PRO A 8 13.091 5.616 7.244 1.00 0.00 C ATOM 0 HA PRO A 8 14.567 7.769 5.459 1.00 0.00 H new ATOM 0 HB2 PRO A 8 15.901 5.367 6.785 1.00 0.00 H new ATOM 0 HB3 PRO A 8 16.102 7.061 7.184 1.00 0.00 H new ATOM 0 HG2 PRO A 8 14.634 5.532 8.763 1.00 0.00 H new ATOM 0 HG3 PRO A 8 14.087 7.156 8.397 1.00 0.00 H new ATOM 0 HD2 PRO A 8 13.087 4.526 7.267 1.00 0.00 H new ATOM 0 HD3 PRO A 8 12.164 5.948 7.711 1.00 0.00 H new ATOM 129 N ASN A 9 14.737 5.104 3.762 1.00 0.00 N ATOM 130 CA ASN A 9 15.330 4.448 2.574 1.00 0.00 C ATOM 131 C ASN A 9 16.083 5.437 1.666 1.00 0.00 C ATOM 132 O ASN A 9 15.797 6.638 1.654 1.00 0.00 O ATOM 133 CB ASN A 9 14.239 3.739 1.764 1.00 0.00 C ATOM 134 CG ASN A 9 13.576 2.655 2.607 1.00 0.00 C ATOM 135 OD1 ASN A 9 14.254 1.942 3.348 1.00 0.00 O ATOM 136 ND2 ASN A 9 12.284 2.485 2.536 1.00 0.00 N ATOM 0 H ASN A 9 13.842 4.707 4.048 1.00 0.00 H new ATOM 0 HA ASN A 9 16.056 3.723 2.942 1.00 0.00 H new ATOM 0 HB2 ASN A 9 13.492 4.462 1.436 1.00 0.00 H new ATOM 0 HB3 ASN A 9 14.672 3.298 0.866 1.00 0.00 H new ATOM 0 HD21 ASN A 9 11.833 1.760 3.095 1.00 0.00 H new ATOM 0 HD22 ASN A 9 11.725 3.077 1.922 1.00 0.00 H new ATOM 143 N LEU A 10 17.064 4.908 0.945 1.00 0.00 N ATOM 144 CA LEU A 10 17.923 5.704 0.066 1.00 0.00 C ATOM 145 C LEU A 10 17.118 6.341 -1.081 1.00 0.00 C ATOM 146 O LEU A 10 16.050 5.835 -1.437 1.00 0.00 O ATOM 147 CB LEU A 10 19.067 4.842 -0.519 1.00 0.00 C ATOM 148 CG LEU A 10 20.143 4.526 0.552 1.00 0.00 C ATOM 149 CD1 LEU A 10 19.585 3.591 1.641 1.00 0.00 C ATOM 150 CD2 LEU A 10 21.343 3.858 -0.128 1.00 0.00 C ATOM 0 H LEU A 10 17.290 3.913 0.951 1.00 0.00 H new ATOM 0 HA LEU A 10 18.353 6.501 0.673 1.00 0.00 H new ATOM 0 HB2 LEU A 10 18.658 3.911 -0.912 1.00 0.00 H new ATOM 0 HB3 LEU A 10 19.528 5.366 -1.356 1.00 0.00 H new ATOM 0 HG LEU A 10 20.447 5.459 1.027 1.00 0.00 H new ATOM 0 HD11 LEU A 10 20.362 3.387 2.378 1.00 0.00 H new ATOM 0 HD12 LEU A 10 18.736 4.069 2.131 1.00 0.00 H new ATOM 0 HD13 LEU A 10 19.262 2.655 1.186 1.00 0.00 H new ATOM 0 HD21 LEU A 10 22.105 3.632 0.618 1.00 0.00 H new ATOM 0 HD22 LEU A 10 21.021 2.934 -0.609 1.00 0.00 H new ATOM 0 HD23 LEU A 10 21.758 4.532 -0.878 1.00 0.00 H new ATOM 162 N PRO A 11 17.589 7.479 -1.649 1.00 0.00 N ATOM 163 CA PRO A 11 16.849 8.186 -2.738 1.00 0.00 C ATOM 164 C PRO A 11 16.800 7.380 -4.035 1.00 0.00 C ATOM 165 O PRO A 11 17.771 6.714 -4.401 1.00 0.00 O ATOM 166 CB PRO A 11 17.640 9.486 -2.936 1.00 0.00 C ATOM 167 CG PRO A 11 19.020 9.169 -2.475 1.00 0.00 C ATOM 168 CD PRO A 11 18.860 8.192 -1.319 1.00 0.00 C ATOM 0 HA PRO A 11 15.805 8.350 -2.472 1.00 0.00 H new ATOM 0 HB2 PRO A 11 17.634 9.797 -3.981 1.00 0.00 H new ATOM 0 HB3 PRO A 11 17.208 10.303 -2.358 1.00 0.00 H new ATOM 0 HG2 PRO A 11 19.609 8.729 -3.280 1.00 0.00 H new ATOM 0 HG3 PRO A 11 19.542 10.071 -2.155 1.00 0.00 H new ATOM 0 HD2 PRO A 11 19.703 7.504 -1.254 1.00 0.00 H new ATOM 0 HD3 PRO A 11 18.795 8.708 -0.361 1.00 0.00 H new ATOM 176 N ILE A 12 15.661 7.469 -4.737 1.00 0.00 N ATOM 177 CA ILE A 12 15.480 6.768 -6.018 1.00 0.00 C ATOM 178 C ILE A 12 15.423 7.794 -7.156 1.00 0.00 C ATOM 179 O ILE A 12 14.625 8.737 -7.109 1.00 0.00 O ATOM 180 CB ILE A 12 14.179 5.916 -5.992 1.00 0.00 C ATOM 181 CG1 ILE A 12 14.259 4.894 -4.833 1.00 0.00 C ATOM 182 CG2 ILE A 12 14.030 5.153 -7.333 1.00 0.00 C ATOM 183 CD1 ILE A 12 12.880 4.259 -4.590 1.00 0.00 C ATOM 0 H ILE A 12 14.853 8.017 -4.441 1.00 0.00 H new ATOM 0 HA ILE A 12 16.323 6.097 -6.181 1.00 0.00 H new ATOM 0 HB ILE A 12 13.320 6.572 -5.848 1.00 0.00 H new ATOM 0 HG12 ILE A 12 14.988 4.119 -5.071 1.00 0.00 H new ATOM 0 HG13 ILE A 12 14.605 5.389 -3.925 1.00 0.00 H new ATOM 0 HG21 ILE A 12 13.118 4.557 -7.313 1.00 0.00 H new ATOM 0 HG22 ILE A 12 13.978 5.868 -8.154 1.00 0.00 H new ATOM 0 HG23 ILE A 12 14.889 4.497 -7.476 1.00 0.00 H new ATOM 0 HD11 ILE A 12 12.949 3.542 -3.772 1.00 0.00 H new ATOM 0 HD12 ILE A 12 12.162 5.037 -4.331 1.00 0.00 H new ATOM 0 HD13 ILE A 12 12.550 3.748 -5.494 1.00 0.00 H new ATOM 195 N LEU A 13 16.299 7.622 -8.158 1.00 0.00 N ATOM 196 CA LEU A 13 16.372 8.556 -9.284 1.00 0.00 C ATOM 197 C LEU A 13 15.729 7.974 -10.543 1.00 0.00 C ATOM 198 O LEU A 13 16.103 6.893 -11.006 1.00 0.00 O ATOM 199 CB LEU A 13 17.846 8.941 -9.573 1.00 0.00 C ATOM 200 CG LEU A 13 18.246 10.210 -8.788 1.00 0.00 C ATOM 201 CD1 LEU A 13 18.418 9.872 -7.303 1.00 0.00 C ATOM 202 CD2 LEU A 13 19.568 10.755 -9.340 1.00 0.00 C ATOM 0 H LEU A 13 16.962 6.848 -8.209 1.00 0.00 H new ATOM 0 HA LEU A 13 15.815 9.450 -9.004 1.00 0.00 H new ATOM 0 HB2 LEU A 13 18.503 8.116 -9.298 1.00 0.00 H new ATOM 0 HB3 LEU A 13 17.979 9.112 -10.641 1.00 0.00 H new ATOM 0 HG LEU A 13 17.463 10.961 -8.898 1.00 0.00 H new ATOM 0 HD11 LEU A 13 18.700 10.771 -6.755 1.00 0.00 H new ATOM 0 HD12 LEU A 13 17.479 9.485 -6.907 1.00 0.00 H new ATOM 0 HD13 LEU A 13 19.197 9.119 -7.189 1.00 0.00 H new ATOM 0 HD21 LEU A 13 19.852 11.651 -8.787 1.00 0.00 H new ATOM 0 HD22 LEU A 13 20.346 10.000 -9.231 1.00 0.00 H new ATOM 0 HD23 LEU A 13 19.447 11.003 -10.395 1.00 0.00 H new ATOM 214 N ALA A 14 14.787 8.735 -11.112 1.00 0.00 N ATOM 215 CA ALA A 14 14.111 8.350 -12.346 1.00 0.00 C ATOM 216 C ALA A 14 14.016 9.551 -13.287 1.00 0.00 C ATOM 217 O ALA A 14 13.682 10.660 -12.855 1.00 0.00 O ATOM 218 CB ALA A 14 12.708 7.818 -12.039 1.00 0.00 C ATOM 0 H ALA A 14 14.477 9.628 -10.729 1.00 0.00 H new ATOM 0 HA ALA A 14 14.689 7.562 -12.829 1.00 0.00 H new ATOM 0 HB1 ALA A 14 12.215 7.534 -12.969 1.00 0.00 H new ATOM 0 HB2 ALA A 14 12.784 6.947 -11.388 1.00 0.00 H new ATOM 0 HB3 ALA A 14 12.126 8.593 -11.541 1.00 0.00 H new ATOM 224 N LYS A 15 14.326 9.325 -14.566 1.00 0.00 N ATOM 225 CA LYS A 15 14.295 10.392 -15.571 1.00 0.00 C ATOM 226 C LYS A 15 12.862 10.708 -15.992 1.00 0.00 C ATOM 227 O LYS A 15 12.024 9.807 -16.088 1.00 0.00 O ATOM 228 CB LYS A 15 15.113 9.978 -16.796 1.00 0.00 C ATOM 229 CG LYS A 15 16.596 9.856 -16.408 1.00 0.00 C ATOM 230 CD LYS A 15 17.415 9.312 -17.594 1.00 0.00 C ATOM 231 CE LYS A 15 17.539 10.380 -18.692 1.00 0.00 C ATOM 232 NZ LYS A 15 18.384 9.855 -19.800 1.00 0.00 N ATOM 0 H LYS A 15 14.601 8.413 -14.931 1.00 0.00 H new ATOM 0 HA LYS A 15 14.729 11.289 -15.128 1.00 0.00 H new ATOM 0 HB2 LYS A 15 14.749 9.027 -17.185 1.00 0.00 H new ATOM 0 HB3 LYS A 15 14.994 10.714 -17.591 1.00 0.00 H new ATOM 0 HG2 LYS A 15 16.982 10.830 -16.107 1.00 0.00 H new ATOM 0 HG3 LYS A 15 16.701 9.192 -15.550 1.00 0.00 H new ATOM 0 HD2 LYS A 15 18.407 9.014 -17.254 1.00 0.00 H new ATOM 0 HD3 LYS A 15 16.935 8.420 -17.997 1.00 0.00 H new ATOM 0 HE2 LYS A 15 16.551 10.647 -19.068 1.00 0.00 H new ATOM 0 HE3 LYS A 15 17.980 11.289 -18.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 18.469 10.577 -20.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 19.329 9.621 -19.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 17.945 9.000 -20.196 1.00 0.00 H new ATOM 246 N VAL A 16 12.593 11.996 -16.266 1.00 0.00 N ATOM 247 CA VAL A 16 11.262 12.424 -16.708 1.00 0.00 C ATOM 248 C VAL A 16 10.898 11.730 -18.030 1.00 0.00 C ATOM 249 O VAL A 16 11.738 11.595 -18.924 1.00 0.00 O ATOM 250 CB VAL A 16 11.202 13.970 -16.841 1.00 0.00 C ATOM 251 CG1 VAL A 16 12.232 14.455 -17.867 1.00 0.00 C ATOM 252 CG2 VAL A 16 9.792 14.418 -17.279 1.00 0.00 C ATOM 0 H VAL A 16 13.275 12.750 -16.189 1.00 0.00 H new ATOM 0 HA VAL A 16 10.527 12.131 -15.959 1.00 0.00 H new ATOM 0 HB VAL A 16 11.430 14.406 -15.868 1.00 0.00 H new ATOM 0 HG11 VAL A 16 12.179 15.541 -17.950 1.00 0.00 H new ATOM 0 HG12 VAL A 16 13.232 14.164 -17.544 1.00 0.00 H new ATOM 0 HG13 VAL A 16 12.019 14.006 -18.837 1.00 0.00 H new ATOM 0 HG21 VAL A 16 9.766 15.504 -17.368 1.00 0.00 H new ATOM 0 HG22 VAL A 16 9.551 13.969 -18.243 1.00 0.00 H new ATOM 0 HG23 VAL A 16 9.061 14.097 -16.536 1.00 0.00 H new ATOM 262 N GLY A 17 9.661 11.240 -18.105 1.00 0.00 N ATOM 263 CA GLY A 17 9.187 10.485 -19.277 1.00 0.00 C ATOM 264 C GLY A 17 9.364 8.968 -19.056 1.00 0.00 C ATOM 265 O GLY A 17 8.664 8.156 -19.668 1.00 0.00 O ATOM 0 H GLY A 17 8.963 11.350 -17.369 1.00 0.00 H new ATOM 0 HA2 GLY A 17 8.137 10.711 -19.461 1.00 0.00 H new ATOM 0 HA3 GLY A 17 9.740 10.795 -20.164 1.00 0.00 H new ATOM 269 N GLU A 18 10.258 8.611 -18.120 1.00 0.00 N ATOM 270 CA GLU A 18 10.489 7.229 -17.735 1.00 0.00 C ATOM 271 C GLU A 18 9.714 6.946 -16.455 1.00 0.00 C ATOM 272 O GLU A 18 9.334 7.884 -15.746 1.00 0.00 O ATOM 273 CB GLU A 18 11.990 6.993 -17.513 1.00 0.00 C ATOM 274 CG GLU A 18 12.280 5.487 -17.406 1.00 0.00 C ATOM 275 CD GLU A 18 13.785 5.237 -17.254 1.00 0.00 C ATOM 276 OE1 GLU A 18 14.558 5.937 -17.896 1.00 0.00 O ATOM 277 OE2 GLU A 18 14.142 4.347 -16.498 1.00 0.00 O ATOM 0 H GLU A 18 10.837 9.281 -17.614 1.00 0.00 H new ATOM 0 HA GLU A 18 10.150 6.559 -18.525 1.00 0.00 H new ATOM 0 HB2 GLU A 18 12.559 7.423 -18.337 1.00 0.00 H new ATOM 0 HB3 GLU A 18 12.315 7.499 -16.604 1.00 0.00 H new ATOM 0 HG2 GLU A 18 11.748 5.069 -16.551 1.00 0.00 H new ATOM 0 HG3 GLU A 18 11.909 4.976 -18.294 1.00 0.00 H new ATOM 284 N ASP A 19 9.458 5.670 -16.167 1.00 0.00 N ATOM 285 CA ASP A 19 8.701 5.308 -14.970 1.00 0.00 C ATOM 286 C ASP A 19 9.567 5.456 -13.717 1.00 0.00 C ATOM 287 O ASP A 19 10.799 5.447 -13.797 1.00 0.00 O ATOM 288 CB ASP A 19 8.170 3.873 -15.087 1.00 0.00 C ATOM 289 CG ASP A 19 9.324 2.889 -15.294 1.00 0.00 C ATOM 290 OD1 ASP A 19 10.140 3.132 -16.169 1.00 0.00 O ATOM 291 OD2 ASP A 19 9.373 1.907 -14.572 1.00 0.00 O ATOM 0 H ASP A 19 9.759 4.880 -16.737 1.00 0.00 H new ATOM 0 HA ASP A 19 7.853 5.987 -14.882 1.00 0.00 H new ATOM 0 HB2 ASP A 19 7.617 3.609 -14.186 1.00 0.00 H new ATOM 0 HB3 ASP A 19 7.472 3.804 -15.921 1.00 0.00 H new ATOM 296 N ALA A 20 8.906 5.619 -12.565 1.00 0.00 N ATOM 297 CA ALA A 20 9.593 5.804 -11.284 1.00 0.00 C ATOM 298 C ALA A 20 9.148 4.741 -10.286 1.00 0.00 C ATOM 299 O ALA A 20 8.129 4.073 -10.497 1.00 0.00 O ATOM 300 CB ALA A 20 9.305 7.203 -10.726 1.00 0.00 C ATOM 0 H ALA A 20 7.888 5.626 -12.495 1.00 0.00 H new ATOM 0 HA ALA A 20 10.666 5.704 -11.447 1.00 0.00 H new ATOM 0 HB1 ALA A 20 9.821 7.328 -9.774 1.00 0.00 H new ATOM 0 HB2 ALA A 20 9.657 7.956 -11.431 1.00 0.00 H new ATOM 0 HB3 ALA A 20 8.232 7.321 -10.575 1.00 0.00 H new ATOM 306 N LEU A 21 9.943 4.552 -9.221 1.00 0.00 N ATOM 307 CA LEU A 21 9.648 3.522 -8.221 1.00 0.00 C ATOM 308 C LEU A 21 9.325 4.144 -6.858 1.00 0.00 C ATOM 309 O LEU A 21 10.156 4.840 -6.267 1.00 0.00 O ATOM 310 CB LEU A 21 10.857 2.558 -8.098 1.00 0.00 C ATOM 311 CG LEU A 21 10.554 1.392 -7.124 1.00 0.00 C ATOM 312 CD1 LEU A 21 9.440 0.491 -7.699 1.00 0.00 C ATOM 313 CD2 LEU A 21 11.828 0.562 -6.922 1.00 0.00 C ATOM 0 H LEU A 21 10.786 5.095 -9.034 1.00 0.00 H new ATOM 0 HA LEU A 21 8.769 2.966 -8.548 1.00 0.00 H new ATOM 0 HB2 LEU A 21 11.106 2.158 -9.081 1.00 0.00 H new ATOM 0 HB3 LEU A 21 11.730 3.109 -7.748 1.00 0.00 H new ATOM 0 HG LEU A 21 10.220 1.800 -6.170 1.00 0.00 H new ATOM 0 HD11 LEU A 21 9.237 -0.324 -7.005 1.00 0.00 H new ATOM 0 HD12 LEU A 21 8.534 1.080 -7.843 1.00 0.00 H new ATOM 0 HD13 LEU A 21 9.762 0.081 -8.656 1.00 0.00 H new ATOM 0 HD21 LEU A 21 11.622 -0.261 -6.237 1.00 0.00 H new ATOM 0 HD22 LEU A 21 12.157 0.162 -7.881 1.00 0.00 H new ATOM 0 HD23 LEU A 21 12.612 1.194 -6.504 1.00 0.00 H new ATOM 325 N LEU A 22 8.128 3.837 -6.352 1.00 0.00 N ATOM 326 CA LEU A 22 7.689 4.308 -5.030 1.00 0.00 C ATOM 327 C LEU A 22 7.709 3.117 -4.078 1.00 0.00 C ATOM 328 O LEU A 22 6.927 2.189 -4.258 1.00 0.00 O ATOM 329 CB LEU A 22 6.229 4.850 -5.106 1.00 0.00 C ATOM 330 CG LEU A 22 6.036 5.855 -6.275 1.00 0.00 C ATOM 331 CD1 LEU A 22 4.567 6.271 -6.342 1.00 0.00 C ATOM 332 CD2 LEU A 22 6.888 7.109 -6.056 1.00 0.00 C ATOM 0 H LEU A 22 7.440 3.262 -6.838 1.00 0.00 H new ATOM 0 HA LEU A 22 8.349 5.105 -4.688 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.539 4.015 -5.229 1.00 0.00 H new ATOM 0 HB3 LEU A 22 5.975 5.337 -4.165 1.00 0.00 H new ATOM 0 HG LEU A 22 6.342 5.371 -7.203 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.426 6.976 -7.161 1.00 0.00 H new ATOM 0 HD12 LEU A 22 3.947 5.391 -6.510 1.00 0.00 H new ATOM 0 HD13 LEU A 22 4.279 6.743 -5.403 1.00 0.00 H new ATOM 0 HD21 LEU A 22 6.738 7.800 -6.886 1.00 0.00 H new ATOM 0 HD22 LEU A 22 6.593 7.591 -5.124 1.00 0.00 H new ATOM 0 HD23 LEU A 22 7.940 6.829 -6.002 1.00 0.00 H new ATOM 344 N THR A 23 8.638 3.101 -3.099 1.00 0.00 N ATOM 345 CA THR A 23 8.755 1.921 -2.217 1.00 0.00 C ATOM 346 C THR A 23 9.001 2.252 -0.745 1.00 0.00 C ATOM 347 O THR A 23 9.624 3.255 -0.400 1.00 0.00 O ATOM 348 CB THR A 23 9.857 0.980 -2.740 1.00 0.00 C ATOM 349 OG1 THR A 23 9.922 -0.175 -1.915 1.00 0.00 O ATOM 350 CG2 THR A 23 11.216 1.696 -2.737 1.00 0.00 C ATOM 0 H THR A 23 9.293 3.858 -2.903 1.00 0.00 H new ATOM 0 HA THR A 23 7.783 1.428 -2.249 1.00 0.00 H new ATOM 0 HB THR A 23 9.618 0.687 -3.762 1.00 0.00 H new ATOM 0 HG1 THR A 23 9.078 -0.669 -1.977 1.00 0.00 H new ATOM 0 HG21 THR A 23 11.985 1.019 -3.109 1.00 0.00 H new ATOM 0 HG22 THR A 23 11.165 2.575 -3.379 1.00 0.00 H new ATOM 0 HG23 THR A 23 11.463 2.003 -1.721 1.00 0.00 H new ATOM 358 N CYS A 24 8.529 1.337 0.104 1.00 0.00 N ATOM 359 CA CYS A 24 8.692 1.412 1.551 1.00 0.00 C ATOM 360 C CYS A 24 8.715 -0.009 2.130 1.00 0.00 C ATOM 361 O CYS A 24 8.333 -0.962 1.443 1.00 0.00 O ATOM 362 CB CYS A 24 7.543 2.213 2.171 1.00 0.00 C ATOM 363 SG CYS A 24 5.965 1.383 1.816 1.00 0.00 S ATOM 0 H CYS A 24 8.015 0.511 -0.203 1.00 0.00 H new ATOM 0 HA CYS A 24 9.630 1.915 1.784 1.00 0.00 H new ATOM 0 HB2 CYS A 24 7.686 2.300 3.248 1.00 0.00 H new ATOM 0 HB3 CYS A 24 7.532 3.226 1.768 1.00 0.00 H new ATOM 368 N GLN A 25 9.182 -0.154 3.382 1.00 0.00 N ATOM 369 CA GLN A 25 9.269 -1.500 4.021 1.00 0.00 C ATOM 370 C GLN A 25 8.225 -1.616 5.134 1.00 0.00 C ATOM 371 O GLN A 25 8.256 -0.849 6.096 1.00 0.00 O ATOM 372 CB GLN A 25 10.677 -1.756 4.651 1.00 0.00 C ATOM 373 CG GLN A 25 11.825 -1.197 3.768 1.00 0.00 C ATOM 374 CD GLN A 25 12.001 -2.040 2.516 1.00 0.00 C ATOM 375 OE1 GLN A 25 12.466 -3.173 2.598 1.00 0.00 O ATOM 376 NE2 GLN A 25 11.658 -1.553 1.354 1.00 0.00 N ATOM 0 H GLN A 25 9.501 0.617 3.969 1.00 0.00 H new ATOM 0 HA GLN A 25 9.091 -2.238 3.239 1.00 0.00 H new ATOM 0 HB2 GLN A 25 10.721 -1.294 5.637 1.00 0.00 H new ATOM 0 HB3 GLN A 25 10.820 -2.827 4.794 1.00 0.00 H new ATOM 0 HG2 GLN A 25 11.607 -0.166 3.490 1.00 0.00 H new ATOM 0 HG3 GLN A 25 12.755 -1.184 4.337 1.00 0.00 H new ATOM 0 HE21 GLN A 25 11.272 -0.611 1.290 1.00 0.00 H new ATOM 0 HE22 GLN A 25 11.776 -2.115 0.511 1.00 0.00 H new ATOM 385 N LEU A 26 7.310 -2.588 5.006 1.00 0.00 N ATOM 386 CA LEU A 26 6.268 -2.798 6.025 1.00 0.00 C ATOM 387 C LEU A 26 6.142 -4.273 6.406 1.00 0.00 C ATOM 388 O LEU A 26 6.467 -5.157 5.614 1.00 0.00 O ATOM 389 CB LEU A 26 4.915 -2.234 5.541 1.00 0.00 C ATOM 390 CG LEU A 26 4.490 -2.888 4.192 1.00 0.00 C ATOM 391 CD1 LEU A 26 3.691 -4.173 4.458 1.00 0.00 C ATOM 392 CD2 LEU A 26 3.611 -1.905 3.395 1.00 0.00 C ATOM 0 H LEU A 26 7.269 -3.234 4.218 1.00 0.00 H new ATOM 0 HA LEU A 26 6.566 -2.256 6.922 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.150 -2.417 6.295 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.990 -1.154 5.418 1.00 0.00 H new ATOM 0 HG LEU A 26 5.386 -3.130 3.621 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.399 -4.623 3.509 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.308 -4.876 5.018 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.799 -3.933 5.036 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.315 -2.364 2.452 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.721 -1.660 3.975 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.175 -0.994 3.194 1.00 0.00 H new ATOM 404 N LEU A 27 5.688 -4.528 7.643 1.00 0.00 N ATOM 405 CA LEU A 27 5.528 -5.900 8.140 1.00 0.00 C ATOM 406 C LEU A 27 4.044 -6.165 8.534 1.00 0.00 C ATOM 407 O LEU A 27 3.610 -5.713 9.599 1.00 0.00 O ATOM 408 CB LEU A 27 6.446 -6.121 9.370 1.00 0.00 C ATOM 409 CG LEU A 27 6.362 -7.586 9.872 1.00 0.00 C ATOM 410 CD1 LEU A 27 6.957 -8.551 8.830 1.00 0.00 C ATOM 411 CD2 LEU A 27 7.139 -7.718 11.184 1.00 0.00 C ATOM 0 H LEU A 27 5.427 -3.805 8.313 1.00 0.00 H new ATOM 0 HA LEU A 27 5.809 -6.595 7.349 1.00 0.00 H new ATOM 0 HB2 LEU A 27 7.476 -5.882 9.107 1.00 0.00 H new ATOM 0 HB3 LEU A 27 6.156 -5.441 10.171 1.00 0.00 H new ATOM 0 HG LEU A 27 5.314 -7.842 10.030 1.00 0.00 H new ATOM 0 HD11 LEU A 27 6.889 -9.574 9.201 1.00 0.00 H new ATOM 0 HD12 LEU A 27 6.401 -8.466 7.896 1.00 0.00 H new ATOM 0 HD13 LEU A 27 8.003 -8.298 8.655 1.00 0.00 H new ATOM 0 HD21 LEU A 27 7.081 -8.747 11.539 1.00 0.00 H new ATOM 0 HD22 LEU A 27 8.182 -7.449 11.018 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.707 -7.052 11.931 1.00 0.00 H new ATOM 497 N THR A 32 -2.182 -10.053 3.399 1.00 0.00 N ATOM 498 CA THR A 32 -2.554 -8.670 3.051 1.00 0.00 C ATOM 499 C THR A 32 -4.015 -8.588 2.567 1.00 0.00 C ATOM 500 O THR A 32 -4.377 -7.706 1.768 1.00 0.00 O ATOM 501 CB THR A 32 -1.594 -8.096 1.991 1.00 0.00 C ATOM 502 OG1 THR A 32 -1.989 -6.771 1.666 1.00 0.00 O ATOM 503 CG2 THR A 32 -1.615 -8.963 0.726 1.00 0.00 C ATOM 0 HA THR A 32 -2.468 -8.065 3.954 1.00 0.00 H new ATOM 0 HB THR A 32 -0.582 -8.091 2.396 1.00 0.00 H new ATOM 0 HG1 THR A 32 -2.942 -6.761 1.436 1.00 0.00 H new ATOM 0 HG21 THR A 32 -0.932 -8.545 -0.013 1.00 0.00 H new ATOM 0 HG22 THR A 32 -1.303 -9.977 0.975 1.00 0.00 H new ATOM 0 HG23 THR A 32 -2.625 -8.984 0.316 1.00 0.00 H new ATOM 511 N ALA A 33 -4.845 -9.512 3.072 1.00 0.00 N ATOM 512 CA ALA A 33 -6.265 -9.569 2.732 1.00 0.00 C ATOM 513 C ALA A 33 -6.995 -8.307 3.182 1.00 0.00 C ATOM 514 O ALA A 33 -7.932 -7.859 2.518 1.00 0.00 O ATOM 515 CB ALA A 33 -6.915 -10.801 3.361 1.00 0.00 C ATOM 0 H ALA A 33 -4.547 -10.237 3.725 1.00 0.00 H new ATOM 0 HA ALA A 33 -6.344 -9.638 1.647 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -7.972 -10.829 3.098 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -6.425 -11.701 2.989 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -6.812 -10.753 4.445 1.00 0.00 H new ATOM 521 N HIS A 34 -6.611 -7.780 4.355 1.00 0.00 N ATOM 522 CA HIS A 34 -7.251 -6.568 4.907 1.00 0.00 C ATOM 523 C HIS A 34 -6.244 -5.404 5.102 1.00 0.00 C ATOM 524 O HIS A 34 -6.601 -4.370 5.677 1.00 0.00 O ATOM 525 CB HIS A 34 -7.939 -6.882 6.247 1.00 0.00 C ATOM 526 CG HIS A 34 -9.008 -7.931 6.051 1.00 0.00 C ATOM 527 ND1 HIS A 34 -10.194 -7.663 5.387 1.00 0.00 N ATOM 528 CD2 HIS A 34 -9.082 -9.248 6.436 1.00 0.00 C ATOM 529 CE1 HIS A 34 -10.926 -8.794 5.390 1.00 0.00 C ATOM 530 NE2 HIS A 34 -10.293 -9.790 6.018 1.00 0.00 N ATOM 0 H HIS A 34 -5.868 -8.167 4.937 1.00 0.00 H new ATOM 0 HA HIS A 34 -7.995 -6.247 4.178 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -7.202 -7.234 6.969 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -8.381 -5.975 6.659 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -8.317 -9.781 6.980 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -11.904 -8.885 4.940 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -10.627 -10.743 6.160 1.00 0.00 H new ATOM 538 N MET A 35 -4.988 -5.591 4.651 1.00 0.00 N ATOM 539 CA MET A 35 -3.941 -4.562 4.815 1.00 0.00 C ATOM 540 C MET A 35 -4.039 -3.500 3.722 1.00 0.00 C ATOM 541 O MET A 35 -4.345 -3.813 2.568 1.00 0.00 O ATOM 542 CB MET A 35 -2.546 -5.210 4.782 1.00 0.00 C ATOM 543 CG MET A 35 -2.223 -5.838 6.146 1.00 0.00 C ATOM 544 SD MET A 35 -3.245 -7.311 6.394 1.00 0.00 S ATOM 545 CE MET A 35 -2.447 -7.887 7.909 1.00 0.00 C ATOM 0 H MET A 35 -4.675 -6.437 4.174 1.00 0.00 H new ATOM 0 HA MET A 35 -4.093 -4.081 5.781 1.00 0.00 H new ATOM 0 HB2 MET A 35 -2.509 -5.973 4.004 1.00 0.00 H new ATOM 0 HB3 MET A 35 -1.795 -4.461 4.531 1.00 0.00 H new ATOM 0 HG2 MET A 35 -1.167 -6.103 6.194 1.00 0.00 H new ATOM 0 HG3 MET A 35 -2.407 -5.117 6.942 1.00 0.00 H new ATOM 0 HE1 MET A 35 -1.827 -8.756 7.686 1.00 0.00 H new ATOM 0 HE2 MET A 35 -1.824 -7.091 8.317 1.00 0.00 H new ATOM 0 HE3 MET A 35 -3.208 -8.162 8.639 1.00 0.00 H new ATOM 555 N GLU A 36 -3.779 -2.237 4.100 1.00 0.00 N ATOM 556 CA GLU A 36 -3.846 -1.114 3.147 1.00 0.00 C ATOM 557 C GLU A 36 -2.569 -0.278 3.203 1.00 0.00 C ATOM 558 O GLU A 36 -2.079 0.050 4.288 1.00 0.00 O ATOM 559 CB GLU A 36 -5.055 -0.218 3.466 1.00 0.00 C ATOM 560 CG GLU A 36 -6.352 -1.035 3.410 1.00 0.00 C ATOM 561 CD GLU A 36 -7.551 -0.138 3.680 1.00 0.00 C ATOM 562 OE1 GLU A 36 -7.755 0.791 2.916 1.00 0.00 O ATOM 563 OE2 GLU A 36 -8.249 -0.391 4.648 1.00 0.00 O ATOM 0 H GLU A 36 -3.523 -1.968 5.050 1.00 0.00 H new ATOM 0 HA GLU A 36 -3.954 -1.528 2.145 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -4.938 0.224 4.456 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -5.105 0.605 2.753 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -6.453 -1.504 2.431 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -6.316 -1.838 4.146 1.00 0.00 H new ATOM 570 N VAL A 37 -2.059 0.097 2.023 1.00 0.00 N ATOM 571 CA VAL A 37 -0.862 0.939 1.925 1.00 0.00 C ATOM 572 C VAL A 37 -1.169 2.143 1.033 1.00 0.00 C ATOM 573 O VAL A 37 -1.698 1.982 -0.074 1.00 0.00 O ATOM 574 CB VAL A 37 0.330 0.121 1.357 1.00 0.00 C ATOM 575 CG1 VAL A 37 1.589 1.000 1.268 1.00 0.00 C ATOM 576 CG2 VAL A 37 0.621 -1.076 2.273 1.00 0.00 C ATOM 0 H VAL A 37 -2.458 -0.170 1.123 1.00 0.00 H new ATOM 0 HA VAL A 37 -0.581 1.292 2.917 1.00 0.00 H new ATOM 0 HB VAL A 37 0.065 -0.230 0.360 1.00 0.00 H new ATOM 0 HG11 VAL A 37 2.415 0.412 0.868 1.00 0.00 H new ATOM 0 HG12 VAL A 37 1.395 1.848 0.611 1.00 0.00 H new ATOM 0 HG13 VAL A 37 1.850 1.364 2.262 1.00 0.00 H new ATOM 0 HG21 VAL A 37 1.458 -1.647 1.871 1.00 0.00 H new ATOM 0 HG22 VAL A 37 0.873 -0.718 3.271 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -0.261 -1.715 2.328 1.00 0.00 H new ATOM 586 N ARG A 38 -0.878 3.350 1.539 1.00 0.00 N ATOM 587 CA ARG A 38 -1.173 4.582 0.796 1.00 0.00 C ATOM 588 C ARG A 38 0.089 5.381 0.494 1.00 0.00 C ATOM 589 O ARG A 38 0.969 5.524 1.350 1.00 0.00 O ATOM 590 CB ARG A 38 -2.152 5.446 1.590 1.00 0.00 C ATOM 591 CG ARG A 38 -3.528 4.773 1.615 1.00 0.00 C ATOM 592 CD ARG A 38 -4.440 5.515 2.589 1.00 0.00 C ATOM 593 NE ARG A 38 -5.806 4.957 2.546 1.00 0.00 N ATOM 594 CZ ARG A 38 -6.169 3.826 3.203 1.00 0.00 C ATOM 595 NH1 ARG A 38 -5.302 3.142 3.924 1.00 0.00 N ATOM 596 NH2 ARG A 38 -7.403 3.409 3.123 1.00 0.00 N ATOM 0 H ARG A 38 -0.443 3.498 2.450 1.00 0.00 H new ATOM 0 HA ARG A 38 -1.620 4.294 -0.156 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -1.786 5.587 2.607 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -2.228 6.435 1.139 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -3.965 4.777 0.616 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -3.429 3.730 1.916 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -4.041 5.438 3.600 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -4.466 6.575 2.336 1.00 0.00 H new ATOM 0 HE ARG A 38 -6.512 5.446 1.995 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -4.336 3.460 3.997 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -5.598 2.295 4.409 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -8.083 3.932 2.571 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -7.687 2.560 3.612 1.00 0.00 H new ATOM 610 N TRP A 39 0.142 5.936 -0.723 1.00 0.00 N ATOM 611 CA TRP A 39 1.261 6.774 -1.153 1.00 0.00 C ATOM 612 C TRP A 39 0.745 8.190 -1.440 1.00 0.00 C ATOM 613 O TRP A 39 -0.337 8.356 -2.029 1.00 0.00 O ATOM 614 CB TRP A 39 1.905 6.189 -2.422 1.00 0.00 C ATOM 615 CG TRP A 39 2.509 4.842 -2.127 1.00 0.00 C ATOM 616 CD1 TRP A 39 3.807 4.616 -1.794 1.00 0.00 C ATOM 617 CD2 TRP A 39 1.861 3.538 -2.140 1.00 0.00 C ATOM 618 NE1 TRP A 39 3.988 3.256 -1.606 1.00 0.00 N ATOM 619 CE2 TRP A 39 2.818 2.552 -1.805 1.00 0.00 C ATOM 620 CE3 TRP A 39 0.544 3.119 -2.405 1.00 0.00 C ATOM 621 CZ2 TRP A 39 2.485 1.201 -1.739 1.00 0.00 C ATOM 622 CZ3 TRP A 39 0.204 1.755 -2.339 1.00 0.00 C ATOM 623 CH2 TRP A 39 1.174 0.799 -2.006 1.00 0.00 C ATOM 0 H TRP A 39 -0.584 5.817 -1.430 1.00 0.00 H new ATOM 0 HA TRP A 39 2.012 6.807 -0.364 1.00 0.00 H new ATOM 0 HB2 TRP A 39 1.156 6.095 -3.208 1.00 0.00 H new ATOM 0 HB3 TRP A 39 2.674 6.867 -2.794 1.00 0.00 H new ATOM 0 HD1 TRP A 39 4.571 5.372 -1.693 1.00 0.00 H new ATOM 0 HE1 TRP A 39 4.878 2.827 -1.351 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -0.210 3.849 -2.661 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 3.236 0.468 -1.483 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -0.809 1.443 -2.546 1.00 0.00 H new ATOM 0 HH2 TRP A 39 0.908 -0.247 -1.956 1.00 0.00 H new ATOM 634 N TYR A 40 1.496 9.207 -0.990 1.00 0.00 N ATOM 635 CA TYR A 40 1.075 10.610 -1.165 1.00 0.00 C ATOM 636 C TYR A 40 2.147 11.431 -1.882 1.00 0.00 C ATOM 637 O TYR A 40 3.284 11.470 -1.452 1.00 0.00 O ATOM 638 CB TYR A 40 0.800 11.247 0.206 1.00 0.00 C ATOM 639 CG TYR A 40 -0.334 10.530 0.907 1.00 0.00 C ATOM 640 CD1 TYR A 40 -0.067 9.421 1.721 1.00 0.00 C ATOM 641 CD2 TYR A 40 -1.648 10.982 0.755 1.00 0.00 C ATOM 642 CE1 TYR A 40 -1.115 8.767 2.379 1.00 0.00 C ATOM 643 CE2 TYR A 40 -2.697 10.327 1.411 1.00 0.00 C ATOM 644 CZ TYR A 40 -2.431 9.220 2.224 1.00 0.00 C ATOM 645 OH TYR A 40 -3.465 8.575 2.871 1.00 0.00 O ATOM 0 H TYR A 40 2.387 9.089 -0.508 1.00 0.00 H new ATOM 0 HA TYR A 40 0.170 10.609 -1.772 1.00 0.00 H new ATOM 0 HB2 TYR A 40 1.700 11.204 0.820 1.00 0.00 H new ATOM 0 HB3 TYR A 40 0.549 12.300 0.080 1.00 0.00 H new ATOM 0 HD1 TYR A 40 0.948 9.071 1.841 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -1.854 11.838 0.130 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -0.909 7.913 3.007 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -3.712 10.676 1.289 1.00 0.00 H new ATOM 0 HH TYR A 40 -4.312 9.018 2.656 1.00 0.00 H new ATOM 655 N ARG A 41 1.746 12.140 -2.938 1.00 0.00 N ATOM 656 CA ARG A 41 2.666 13.020 -3.680 1.00 0.00 C ATOM 657 C ARG A 41 2.750 14.390 -2.989 1.00 0.00 C ATOM 658 O ARG A 41 2.001 15.312 -3.321 1.00 0.00 O ATOM 659 CB ARG A 41 2.173 13.178 -5.139 1.00 0.00 C ATOM 660 CG ARG A 41 3.160 14.036 -5.953 1.00 0.00 C ATOM 661 CD ARG A 41 2.653 14.173 -7.391 1.00 0.00 C ATOM 662 NE ARG A 41 2.626 12.854 -8.061 1.00 0.00 N ATOM 663 CZ ARG A 41 1.491 12.127 -8.255 1.00 0.00 C ATOM 664 NH1 ARG A 41 0.315 12.544 -7.822 1.00 0.00 N ATOM 665 NH2 ARG A 41 1.567 10.986 -8.888 1.00 0.00 N ATOM 0 H ARG A 41 0.793 12.126 -3.302 1.00 0.00 H new ATOM 0 HA ARG A 41 3.661 12.576 -3.692 1.00 0.00 H new ATOM 0 HB2 ARG A 41 2.068 12.197 -5.602 1.00 0.00 H new ATOM 0 HB3 ARG A 41 1.187 13.642 -5.147 1.00 0.00 H new ATOM 0 HG2 ARG A 41 3.264 15.021 -5.497 1.00 0.00 H new ATOM 0 HG3 ARG A 41 4.148 13.576 -5.947 1.00 0.00 H new ATOM 0 HD2 ARG A 41 1.653 14.607 -7.390 1.00 0.00 H new ATOM 0 HD3 ARG A 41 3.296 14.856 -7.946 1.00 0.00 H new ATOM 0 HE ARG A 41 3.508 12.467 -8.397 1.00 0.00 H new ATOM 0 HH11 ARG A 41 0.240 13.433 -7.327 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -0.518 11.977 -7.982 1.00 0.00 H new ATOM 0 HH21 ARG A 41 2.468 10.651 -9.229 1.00 0.00 H new ATOM 0 HH22 ARG A 41 0.725 10.430 -9.041 1.00 0.00 H new ATOM 679 N SER A 42 3.663 14.503 -2.009 1.00 0.00 N ATOM 680 CA SER A 42 3.841 15.757 -1.250 1.00 0.00 C ATOM 681 C SER A 42 2.495 16.314 -0.729 1.00 0.00 C ATOM 682 O SER A 42 2.402 17.495 -0.382 1.00 0.00 O ATOM 683 CB SER A 42 4.526 16.804 -2.128 1.00 0.00 C ATOM 684 OG SER A 42 5.808 16.324 -2.524 1.00 0.00 O ATOM 0 H SER A 42 4.286 13.748 -1.724 1.00 0.00 H new ATOM 0 HA SER A 42 4.465 15.532 -0.385 1.00 0.00 H new ATOM 0 HB2 SER A 42 3.916 17.013 -3.007 1.00 0.00 H new ATOM 0 HB3 SER A 42 4.629 17.742 -1.582 1.00 0.00 H new ATOM 0 HG SER A 42 6.248 16.993 -3.089 1.00 0.00 H new ATOM 690 N ASP A 43 1.467 15.451 -0.669 1.00 0.00 N ATOM 691 CA ASP A 43 0.144 15.837 -0.184 1.00 0.00 C ATOM 692 C ASP A 43 -0.466 14.711 0.691 1.00 0.00 C ATOM 693 O ASP A 43 -1.238 13.887 0.183 1.00 0.00 O ATOM 694 CB ASP A 43 -0.785 16.166 -1.364 1.00 0.00 C ATOM 695 CG ASP A 43 -0.298 17.419 -2.086 1.00 0.00 C ATOM 696 OD1 ASP A 43 0.805 17.390 -2.603 1.00 0.00 O ATOM 697 OD2 ASP A 43 -1.037 18.389 -2.112 1.00 0.00 O ATOM 0 H ASP A 43 1.535 14.474 -0.955 1.00 0.00 H new ATOM 0 HA ASP A 43 0.250 16.730 0.432 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -0.814 15.326 -2.058 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -1.803 16.318 -1.004 1.00 0.00 H new ATOM 702 N PRO A 44 -0.112 14.623 1.994 1.00 0.00 N ATOM 703 CA PRO A 44 -0.635 13.533 2.888 1.00 0.00 C ATOM 704 C PRO A 44 -2.163 13.565 3.004 1.00 0.00 C ATOM 705 O PRO A 44 -2.798 12.526 3.209 1.00 0.00 O ATOM 706 CB PRO A 44 0.026 13.817 4.247 1.00 0.00 C ATOM 707 CG PRO A 44 0.438 15.253 4.192 1.00 0.00 C ATOM 708 CD PRO A 44 0.799 15.531 2.741 1.00 0.00 C ATOM 0 HA PRO A 44 -0.401 12.542 2.499 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -0.669 13.638 5.068 1.00 0.00 H new ATOM 0 HB3 PRO A 44 0.886 13.167 4.410 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -0.371 15.904 4.524 1.00 0.00 H new ATOM 0 HG3 PRO A 44 1.288 15.440 4.848 1.00 0.00 H new ATOM 0 HD2 PRO A 44 0.635 16.576 2.477 1.00 0.00 H new ATOM 0 HD3 PRO A 44 1.847 15.311 2.536 1.00 0.00 H new ATOM 716 N ASP A 45 -2.741 14.763 2.865 1.00 0.00 N ATOM 717 CA ASP A 45 -4.193 14.938 2.945 1.00 0.00 C ATOM 718 C ASP A 45 -4.912 14.248 1.779 1.00 0.00 C ATOM 719 O ASP A 45 -6.042 13.774 1.935 1.00 0.00 O ATOM 720 CB ASP A 45 -4.543 16.427 2.958 1.00 0.00 C ATOM 721 CG ASP A 45 -4.110 17.055 4.277 1.00 0.00 C ATOM 722 OD1 ASP A 45 -2.993 17.543 4.341 1.00 0.00 O ATOM 723 OD2 ASP A 45 -4.901 17.041 5.206 1.00 0.00 O ATOM 0 H ASP A 45 -2.224 15.626 2.696 1.00 0.00 H new ATOM 0 HA ASP A 45 -4.531 14.474 3.872 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -4.050 16.932 2.127 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -5.616 16.558 2.819 1.00 0.00 H new ATOM 728 N MET A 46 -4.266 14.232 0.601 1.00 0.00 N ATOM 729 CA MET A 46 -4.865 13.640 -0.607 1.00 0.00 C ATOM 730 C MET A 46 -4.016 12.453 -1.163 1.00 0.00 C ATOM 731 O MET A 46 -2.954 12.691 -1.748 1.00 0.00 O ATOM 732 CB MET A 46 -5.037 14.731 -1.694 1.00 0.00 C ATOM 733 CG MET A 46 -5.633 14.114 -2.980 1.00 0.00 C ATOM 734 SD MET A 46 -6.209 15.426 -4.086 1.00 0.00 S ATOM 735 CE MET A 46 -7.760 15.791 -3.228 1.00 0.00 C ATOM 0 H MET A 46 -3.333 14.620 0.460 1.00 0.00 H new ATOM 0 HA MET A 46 -5.840 13.238 -0.332 1.00 0.00 H new ATOM 0 HB2 MET A 46 -5.690 15.522 -1.325 1.00 0.00 H new ATOM 0 HB3 MET A 46 -4.073 15.190 -1.915 1.00 0.00 H new ATOM 0 HG2 MET A 46 -4.881 13.506 -3.484 1.00 0.00 H new ATOM 0 HG3 MET A 46 -6.461 13.452 -2.726 1.00 0.00 H new ATOM 0 HE1 MET A 46 -8.601 15.487 -3.852 1.00 0.00 H new ATOM 0 HE2 MET A 46 -7.792 15.245 -2.285 1.00 0.00 H new ATOM 0 HE3 MET A 46 -7.823 16.861 -3.030 1.00 0.00 H new ATOM 745 N PRO A 47 -4.498 11.186 -1.068 1.00 0.00 N ATOM 746 CA PRO A 47 -3.777 10.021 -1.666 1.00 0.00 C ATOM 747 C PRO A 47 -3.937 9.974 -3.184 1.00 0.00 C ATOM 748 O PRO A 47 -4.961 10.412 -3.720 1.00 0.00 O ATOM 749 CB PRO A 47 -4.436 8.812 -1.008 1.00 0.00 C ATOM 750 CG PRO A 47 -5.836 9.251 -0.740 1.00 0.00 C ATOM 751 CD PRO A 47 -5.753 10.736 -0.388 1.00 0.00 C ATOM 0 HA PRO A 47 -2.702 10.067 -1.494 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -4.411 7.941 -1.663 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -3.924 8.533 -0.087 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -6.468 9.092 -1.613 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -6.274 8.680 0.079 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -6.624 11.283 -0.749 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -5.703 10.891 0.690 1.00 0.00 H new ATOM 759 N VAL A 48 -2.926 9.424 -3.872 1.00 0.00 N ATOM 760 CA VAL A 48 -2.968 9.302 -5.337 1.00 0.00 C ATOM 761 C VAL A 48 -3.475 7.907 -5.731 1.00 0.00 C ATOM 762 O VAL A 48 -4.452 7.775 -6.473 1.00 0.00 O ATOM 763 CB VAL A 48 -1.560 9.562 -5.942 1.00 0.00 C ATOM 764 CG1 VAL A 48 -1.609 9.470 -7.477 1.00 0.00 C ATOM 765 CG2 VAL A 48 -1.075 10.966 -5.545 1.00 0.00 C ATOM 0 H VAL A 48 -2.076 9.059 -3.442 1.00 0.00 H new ATOM 0 HA VAL A 48 -3.654 10.050 -5.735 1.00 0.00 H new ATOM 0 HB VAL A 48 -0.875 8.807 -5.556 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -0.615 9.655 -7.884 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -1.943 8.475 -7.771 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -2.304 10.215 -7.864 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -0.088 11.144 -5.971 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -1.773 11.713 -5.923 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -1.020 11.038 -4.459 1.00 0.00 H new ATOM 775 N ILE A 49 -2.808 6.882 -5.203 1.00 0.00 N ATOM 776 CA ILE A 49 -3.175 5.489 -5.458 1.00 0.00 C ATOM 777 C ILE A 49 -2.827 4.637 -4.228 1.00 0.00 C ATOM 778 O ILE A 49 -1.857 4.940 -3.523 1.00 0.00 O ATOM 779 CB ILE A 49 -2.454 4.980 -6.741 1.00 0.00 C ATOM 780 CG1 ILE A 49 -2.956 3.570 -7.135 1.00 0.00 C ATOM 781 CG2 ILE A 49 -0.932 4.953 -6.534 1.00 0.00 C ATOM 782 CD1 ILE A 49 -4.381 3.663 -7.695 1.00 0.00 C ATOM 0 H ILE A 49 -2.001 6.992 -4.589 1.00 0.00 H new ATOM 0 HA ILE A 49 -4.248 5.408 -5.630 1.00 0.00 H new ATOM 0 HB ILE A 49 -2.688 5.672 -7.550 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -2.291 3.132 -7.879 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -2.939 2.912 -6.266 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.448 4.594 -7.442 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -0.578 5.958 -6.307 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -0.689 4.287 -5.706 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -4.729 2.668 -7.971 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -5.043 4.082 -6.937 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -4.385 4.305 -8.576 1.00 0.00 H new ATOM 794 N MET A 50 -3.648 3.615 -3.939 1.00 0.00 N ATOM 795 CA MET A 50 -3.437 2.782 -2.743 1.00 0.00 C ATOM 796 C MET A 50 -3.562 1.293 -3.041 1.00 0.00 C ATOM 797 O MET A 50 -4.272 0.883 -3.964 1.00 0.00 O ATOM 798 CB MET A 50 -4.415 3.185 -1.620 1.00 0.00 C ATOM 799 CG MET A 50 -5.868 2.997 -2.085 1.00 0.00 C ATOM 800 SD MET A 50 -6.998 3.484 -0.757 1.00 0.00 S ATOM 801 CE MET A 50 -8.539 3.075 -1.614 1.00 0.00 C ATOM 0 H MET A 50 -4.452 3.348 -4.507 1.00 0.00 H new ATOM 0 HA MET A 50 -2.415 2.961 -2.410 1.00 0.00 H new ATOM 0 HB2 MET A 50 -4.229 2.581 -0.732 1.00 0.00 H new ATOM 0 HB3 MET A 50 -4.248 4.225 -1.339 1.00 0.00 H new ATOM 0 HG2 MET A 50 -6.056 3.597 -2.975 1.00 0.00 H new ATOM 0 HG3 MET A 50 -6.041 1.957 -2.360 1.00 0.00 H new ATOM 0 HE1 MET A 50 -9.371 3.130 -0.912 1.00 0.00 H new ATOM 0 HE2 MET A 50 -8.702 3.783 -2.427 1.00 0.00 H new ATOM 0 HE3 MET A 50 -8.473 2.066 -2.020 1.00 0.00 H new ATOM 811 N TYR A 51 -2.870 0.494 -2.227 1.00 0.00 N ATOM 812 CA TYR A 51 -2.882 -0.954 -2.350 1.00 0.00 C ATOM 813 C TYR A 51 -3.649 -1.536 -1.177 1.00 0.00 C ATOM 814 O TYR A 51 -3.234 -1.373 -0.029 1.00 0.00 O ATOM 815 CB TYR A 51 -1.438 -1.465 -2.325 1.00 0.00 C ATOM 816 CG TYR A 51 -1.386 -2.940 -2.655 1.00 0.00 C ATOM 817 CD1 TYR A 51 -1.400 -3.358 -3.992 1.00 0.00 C ATOM 818 CD2 TYR A 51 -1.309 -3.887 -1.627 1.00 0.00 C ATOM 819 CE1 TYR A 51 -1.338 -4.722 -4.299 1.00 0.00 C ATOM 820 CE2 TYR A 51 -1.248 -5.251 -1.933 1.00 0.00 C ATOM 821 CZ TYR A 51 -1.261 -5.669 -3.268 1.00 0.00 C ATOM 822 OH TYR A 51 -1.195 -7.016 -3.569 1.00 0.00 O ATOM 0 H TYR A 51 -2.287 0.839 -1.465 1.00 0.00 H new ATOM 0 HA TYR A 51 -3.358 -1.253 -3.284 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -0.837 -0.906 -3.042 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -1.003 -1.292 -1.341 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -1.459 -2.628 -4.786 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -1.297 -3.564 -0.596 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -1.349 -5.045 -5.330 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -1.191 -5.981 -1.139 1.00 0.00 H new ATOM 0 HH TYR A 51 -1.786 -7.211 -4.326 1.00 0.00 H new ATOM 832 N ARG A 52 -4.790 -2.181 -1.458 1.00 0.00 N ATOM 833 CA ARG A 52 -5.625 -2.730 -0.390 1.00 0.00 C ATOM 834 C ARG A 52 -6.120 -4.130 -0.704 1.00 0.00 C ATOM 835 O ARG A 52 -6.410 -4.464 -1.855 1.00 0.00 O ATOM 836 CB ARG A 52 -6.814 -1.793 -0.121 1.00 0.00 C ATOM 837 CG ARG A 52 -7.712 -1.646 -1.384 1.00 0.00 C ATOM 838 CD ARG A 52 -8.879 -2.656 -1.336 1.00 0.00 C ATOM 839 NE ARG A 52 -10.023 -2.150 -2.120 1.00 0.00 N ATOM 840 CZ ARG A 52 -11.271 -2.685 -2.046 1.00 0.00 C ATOM 841 NH1 ARG A 52 -11.528 -3.721 -1.269 1.00 0.00 N ATOM 842 NH2 ARG A 52 -12.236 -2.161 -2.754 1.00 0.00 N ATOM 0 H ARG A 52 -5.148 -2.332 -2.401 1.00 0.00 H new ATOM 0 HA ARG A 52 -5.005 -2.803 0.504 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -7.407 -2.182 0.707 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -6.446 -0.813 0.183 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -8.104 -0.631 -1.443 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -7.117 -1.811 -2.282 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -8.554 -3.618 -1.733 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -9.182 -2.823 -0.303 1.00 0.00 H new ATOM 0 HE ARG A 52 -9.870 -1.361 -2.748 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -10.783 -4.136 -0.709 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -12.471 -4.107 -1.229 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -12.050 -1.358 -3.355 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -13.176 -2.555 -2.706 1.00 0.00 H new ATOM 856 N ASP A 53 -6.244 -4.928 0.351 1.00 0.00 N ATOM 857 CA ASP A 53 -6.733 -6.294 0.254 1.00 0.00 C ATOM 858 C ASP A 53 -5.959 -7.082 -0.819 1.00 0.00 C ATOM 859 O ASP A 53 -6.535 -7.893 -1.560 1.00 0.00 O ATOM 860 CB ASP A 53 -8.248 -6.296 -0.045 1.00 0.00 C ATOM 861 CG ASP A 53 -9.063 -5.647 1.090 1.00 0.00 C ATOM 862 OD1 ASP A 53 -8.526 -5.453 2.166 1.00 0.00 O ATOM 863 OD2 ASP A 53 -10.224 -5.355 0.855 1.00 0.00 O ATOM 0 H ASP A 53 -6.006 -4.642 1.301 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.568 -6.789 1.211 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -8.434 -5.761 -0.976 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -8.587 -7.321 -0.193 1.00 0.00 H new ATOM 868 N GLY A 54 -4.648 -6.855 -0.865 1.00 0.00 N ATOM 869 CA GLY A 54 -3.767 -7.550 -1.813 1.00 0.00 C ATOM 870 C GLY A 54 -3.975 -7.082 -3.269 1.00 0.00 C ATOM 871 O GLY A 54 -3.511 -7.746 -4.202 1.00 0.00 O ATOM 0 H GLY A 54 -4.167 -6.193 -0.256 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -2.728 -7.384 -1.527 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -3.947 -8.623 -1.751 1.00 0.00 H new ATOM 875 N ALA A 55 -4.685 -5.950 -3.463 1.00 0.00 N ATOM 876 CA ALA A 55 -4.945 -5.432 -4.817 1.00 0.00 C ATOM 877 C ALA A 55 -5.018 -3.905 -4.836 1.00 0.00 C ATOM 878 O ALA A 55 -5.472 -3.290 -3.873 1.00 0.00 O ATOM 879 CB ALA A 55 -6.251 -6.016 -5.360 1.00 0.00 C ATOM 0 H ALA A 55 -5.081 -5.387 -2.710 1.00 0.00 H new ATOM 0 HA ALA A 55 -4.113 -5.737 -5.451 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -6.435 -5.627 -6.362 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -6.174 -7.103 -5.401 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -7.075 -5.735 -4.705 1.00 0.00 H new ATOM 885 N GLU A 56 -4.608 -3.306 -5.966 1.00 0.00 N ATOM 886 CA GLU A 56 -4.665 -1.850 -6.136 1.00 0.00 C ATOM 887 C GLU A 56 -6.111 -1.384 -6.320 1.00 0.00 C ATOM 888 O GLU A 56 -6.956 -2.145 -6.804 1.00 0.00 O ATOM 889 CB GLU A 56 -3.798 -1.404 -7.332 1.00 0.00 C ATOM 890 CG GLU A 56 -4.301 -2.063 -8.640 1.00 0.00 C ATOM 891 CD GLU A 56 -3.410 -1.687 -9.848 1.00 0.00 C ATOM 892 OE1 GLU A 56 -2.381 -1.044 -9.653 1.00 0.00 O ATOM 893 OE2 GLU A 56 -3.777 -2.051 -10.954 1.00 0.00 O ATOM 0 H GLU A 56 -4.235 -3.808 -6.772 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.266 -1.388 -5.233 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -3.831 -0.319 -7.428 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -2.757 -1.677 -7.157 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -4.314 -3.146 -8.520 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -5.327 -1.751 -8.834 1.00 0.00 H new ATOM 900 N VAL A 57 -6.390 -0.135 -5.923 1.00 0.00 N ATOM 901 CA VAL A 57 -7.744 0.421 -6.038 1.00 0.00 C ATOM 902 C VAL A 57 -8.086 0.744 -7.507 1.00 0.00 C ATOM 903 O VAL A 57 -7.405 1.548 -8.149 1.00 0.00 O ATOM 904 CB VAL A 57 -7.882 1.678 -5.140 1.00 0.00 C ATOM 905 CG1 VAL A 57 -6.935 2.786 -5.621 1.00 0.00 C ATOM 906 CG2 VAL A 57 -9.330 2.192 -5.168 1.00 0.00 C ATOM 0 H VAL A 57 -5.703 0.504 -5.523 1.00 0.00 H new ATOM 0 HA VAL A 57 -8.458 -0.327 -5.694 1.00 0.00 H new ATOM 0 HB VAL A 57 -7.617 1.402 -4.119 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -7.044 3.661 -4.980 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -5.906 2.430 -5.577 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -7.182 3.055 -6.648 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -9.415 3.075 -4.534 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -9.604 2.452 -6.190 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -9.999 1.415 -4.799 1.00 0.00 H new ATOM 1044 N ARG A 68 -1.781 3.844 -14.586 1.00 0.00 N ATOM 1045 CA ARG A 68 -0.667 4.759 -14.328 1.00 0.00 C ATOM 1046 C ARG A 68 0.335 4.146 -13.356 1.00 0.00 C ATOM 1047 O ARG A 68 1.549 4.288 -13.538 1.00 0.00 O ATOM 1048 CB ARG A 68 -1.188 6.082 -13.752 1.00 0.00 C ATOM 1049 CG ARG A 68 -2.054 6.820 -14.793 1.00 0.00 C ATOM 1050 CD ARG A 68 -1.173 7.399 -15.911 1.00 0.00 C ATOM 1051 NE ARG A 68 -1.996 8.172 -16.863 1.00 0.00 N ATOM 1052 CZ ARG A 68 -2.343 9.472 -16.662 1.00 0.00 C ATOM 1053 NH1 ARG A 68 -1.952 10.127 -15.584 1.00 0.00 N ATOM 1054 NH2 ARG A 68 -3.076 10.085 -17.551 1.00 0.00 N ATOM 0 HA ARG A 68 -0.164 4.946 -15.277 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -1.774 5.889 -12.854 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -0.349 6.712 -13.456 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -2.787 6.134 -15.218 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -2.611 7.622 -14.309 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -0.403 8.040 -15.482 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -0.661 6.592 -16.435 1.00 0.00 H new ATOM 0 HE ARG A 68 -2.320 7.709 -17.712 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -1.379 9.658 -14.883 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -2.223 11.101 -15.453 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -3.384 9.589 -18.388 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -3.341 11.060 -17.409 1.00 0.00 H new ATOM 1068 N ALA A 69 -0.180 3.468 -12.310 1.00 0.00 N ATOM 1069 CA ALA A 69 0.684 2.845 -11.308 1.00 0.00 C ATOM 1070 C ALA A 69 0.444 1.339 -11.229 1.00 0.00 C ATOM 1071 O ALA A 69 -0.655 0.893 -10.887 1.00 0.00 O ATOM 1072 CB ALA A 69 0.449 3.488 -9.937 1.00 0.00 C ATOM 0 H ALA A 69 -1.179 3.343 -12.145 1.00 0.00 H new ATOM 0 HA ALA A 69 1.719 3.007 -11.608 1.00 0.00 H new ATOM 0 HB1 ALA A 69 1.097 3.017 -9.198 1.00 0.00 H new ATOM 0 HB2 ALA A 69 0.675 4.553 -9.991 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -0.592 3.352 -9.645 1.00 0.00 H new ATOM 1078 N GLU A 70 1.496 0.566 -11.511 1.00 0.00 N ATOM 1079 CA GLU A 70 1.431 -0.892 -11.444 1.00 0.00 C ATOM 1080 C GLU A 70 2.314 -1.393 -10.302 1.00 0.00 C ATOM 1081 O GLU A 70 3.490 -1.020 -10.209 1.00 0.00 O ATOM 1082 CB GLU A 70 1.890 -1.501 -12.785 1.00 0.00 C ATOM 1083 CG GLU A 70 1.729 -3.040 -12.757 1.00 0.00 C ATOM 1084 CD GLU A 70 2.135 -3.685 -14.105 1.00 0.00 C ATOM 1085 OE1 GLU A 70 2.527 -2.962 -15.015 1.00 0.00 O ATOM 1086 OE2 GLU A 70 2.044 -4.897 -14.200 1.00 0.00 O ATOM 0 H GLU A 70 2.407 0.931 -11.789 1.00 0.00 H new ATOM 0 HA GLU A 70 0.402 -1.200 -11.256 1.00 0.00 H new ATOM 0 HB2 GLU A 70 1.304 -1.082 -13.603 1.00 0.00 H new ATOM 0 HB3 GLU A 70 2.932 -1.241 -12.973 1.00 0.00 H new ATOM 0 HG2 GLU A 70 2.341 -3.455 -11.956 1.00 0.00 H new ATOM 0 HG3 GLU A 70 0.693 -3.293 -12.530 1.00 0.00 H new ATOM 1093 N TRP A 71 1.733 -2.214 -9.423 1.00 0.00 N ATOM 1094 CA TRP A 71 2.460 -2.743 -8.265 1.00 0.00 C ATOM 1095 C TRP A 71 3.519 -3.756 -8.685 1.00 0.00 C ATOM 1096 O TRP A 71 3.228 -4.711 -9.412 1.00 0.00 O ATOM 1097 CB TRP A 71 1.486 -3.376 -7.247 1.00 0.00 C ATOM 1098 CG TRP A 71 0.702 -4.494 -7.883 1.00 0.00 C ATOM 1099 CD1 TRP A 71 -0.492 -4.349 -8.505 1.00 0.00 C ATOM 1100 CD2 TRP A 71 1.038 -5.909 -7.966 1.00 0.00 C ATOM 1101 NE1 TRP A 71 -0.909 -5.588 -8.963 1.00 0.00 N ATOM 1102 CE2 TRP A 71 0.002 -6.581 -8.654 1.00 0.00 C ATOM 1103 CE3 TRP A 71 2.133 -6.668 -7.512 1.00 0.00 C ATOM 1104 CZ2 TRP A 71 0.047 -7.955 -8.885 1.00 0.00 C ATOM 1105 CZ3 TRP A 71 2.182 -8.053 -7.744 1.00 0.00 C ATOM 1106 CH2 TRP A 71 1.139 -8.695 -8.429 1.00 0.00 C ATOM 0 H TRP A 71 0.764 -2.526 -9.490 1.00 0.00 H new ATOM 0 HA TRP A 71 2.967 -1.905 -7.788 1.00 0.00 H new ATOM 0 HB2 TRP A 71 2.044 -3.757 -6.392 1.00 0.00 H new ATOM 0 HB3 TRP A 71 0.803 -2.616 -6.869 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -1.030 -3.420 -8.624 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -1.781 -5.748 -9.467 1.00 0.00 H new ATOM 0 HE3 TRP A 71 2.940 -6.183 -6.982 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -0.758 -8.444 -9.414 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 3.027 -8.627 -7.393 1.00 0.00 H new ATOM 0 HH2 TRP A 71 1.181 -9.760 -8.603 1.00 0.00 H new ATOM 1117 N MET A 72 4.742 -3.554 -8.189 1.00 0.00 N ATOM 1118 CA MET A 72 5.850 -4.459 -8.468 1.00 0.00 C ATOM 1119 C MET A 72 6.538 -4.855 -7.158 1.00 0.00 C ATOM 1120 O MET A 72 7.310 -4.075 -6.590 1.00 0.00 O ATOM 1121 CB MET A 72 6.852 -3.779 -9.426 1.00 0.00 C ATOM 1122 CG MET A 72 7.971 -4.761 -9.819 1.00 0.00 C ATOM 1123 SD MET A 72 7.272 -6.146 -10.757 1.00 0.00 S ATOM 1124 CE MET A 72 7.014 -5.259 -12.313 1.00 0.00 C ATOM 0 H MET A 72 4.987 -2.766 -7.589 1.00 0.00 H new ATOM 0 HA MET A 72 5.470 -5.361 -8.947 1.00 0.00 H new ATOM 0 HB2 MET A 72 6.333 -3.433 -10.320 1.00 0.00 H new ATOM 0 HB3 MET A 72 7.283 -2.900 -8.947 1.00 0.00 H new ATOM 0 HG2 MET A 72 8.724 -4.248 -10.417 1.00 0.00 H new ATOM 0 HG3 MET A 72 8.473 -5.132 -8.925 1.00 0.00 H new ATOM 0 HE1 MET A 72 5.949 -5.075 -12.455 1.00 0.00 H new ATOM 0 HE2 MET A 72 7.545 -4.308 -12.282 1.00 0.00 H new ATOM 0 HE3 MET A 72 7.392 -5.859 -13.141 1.00 0.00 H new ATOM 1134 N GLU A 73 6.232 -6.065 -6.681 1.00 0.00 N ATOM 1135 CA GLU A 73 6.796 -6.571 -5.425 1.00 0.00 C ATOM 1136 C GLU A 73 8.282 -6.887 -5.582 1.00 0.00 C ATOM 1137 O GLU A 73 8.694 -7.524 -6.557 1.00 0.00 O ATOM 1138 CB GLU A 73 6.033 -7.825 -4.968 1.00 0.00 C ATOM 1139 CG GLU A 73 6.478 -8.221 -3.551 1.00 0.00 C ATOM 1140 CD GLU A 73 5.676 -9.424 -3.069 1.00 0.00 C ATOM 1141 OE1 GLU A 73 5.759 -10.461 -3.707 1.00 0.00 O ATOM 1142 OE2 GLU A 73 4.989 -9.292 -2.069 1.00 0.00 O ATOM 0 H GLU A 73 5.596 -6.713 -7.146 1.00 0.00 H new ATOM 0 HA GLU A 73 6.690 -5.795 -4.667 1.00 0.00 H new ATOM 0 HB2 GLU A 73 4.960 -7.633 -4.981 1.00 0.00 H new ATOM 0 HB3 GLU A 73 6.219 -8.647 -5.660 1.00 0.00 H new ATOM 0 HG2 GLU A 73 7.542 -8.458 -3.548 1.00 0.00 H new ATOM 0 HG3 GLU A 73 6.337 -7.383 -2.869 1.00 0.00 H new ATOM 1149 N ASP A 74 9.076 -6.443 -4.604 1.00 0.00 N ATOM 1150 CA ASP A 74 10.519 -6.678 -4.607 1.00 0.00 C ATOM 1151 C ASP A 74 10.829 -8.162 -4.439 1.00 0.00 C ATOM 1152 O ASP A 74 10.081 -8.892 -3.783 1.00 0.00 O ATOM 1153 CB ASP A 74 11.186 -5.881 -3.486 1.00 0.00 C ATOM 1154 CG ASP A 74 11.045 -4.389 -3.751 1.00 0.00 C ATOM 1155 OD1 ASP A 74 10.079 -3.814 -3.280 1.00 0.00 O ATOM 1156 OD2 ASP A 74 11.904 -3.841 -4.422 1.00 0.00 O ATOM 0 H ASP A 74 8.740 -5.917 -3.797 1.00 0.00 H new ATOM 0 HA ASP A 74 10.914 -6.348 -5.568 1.00 0.00 H new ATOM 0 HB2 ASP A 74 10.730 -6.133 -2.529 1.00 0.00 H new ATOM 0 HB3 ASP A 74 12.241 -6.148 -3.417 1.00 0.00 H new ATOM 1161 N SER A 75 11.943 -8.594 -5.033 1.00 0.00 N ATOM 1162 CA SER A 75 12.380 -9.997 -4.954 1.00 0.00 C ATOM 1163 C SER A 75 12.912 -10.360 -3.550 1.00 0.00 C ATOM 1164 O SER A 75 13.118 -11.541 -3.250 1.00 0.00 O ATOM 1165 CB SER A 75 13.461 -10.268 -5.999 1.00 0.00 C ATOM 1166 OG SER A 75 12.905 -10.121 -7.300 1.00 0.00 O ATOM 0 H SER A 75 12.563 -7.994 -5.576 1.00 0.00 H new ATOM 0 HA SER A 75 11.509 -10.621 -5.152 1.00 0.00 H new ATOM 0 HB2 SER A 75 14.293 -9.576 -5.866 1.00 0.00 H new ATOM 0 HB3 SER A 75 13.860 -11.274 -5.873 1.00 0.00 H new ATOM 0 HG SER A 75 13.597 -10.293 -7.973 1.00 0.00 H new ATOM 1172 N THR A 76 13.150 -9.339 -2.707 1.00 0.00 N ATOM 1173 CA THR A 76 13.678 -9.552 -1.356 1.00 0.00 C ATOM 1174 C THR A 76 12.702 -10.410 -0.527 1.00 0.00 C ATOM 1175 O THR A 76 13.128 -11.273 0.247 1.00 0.00 O ATOM 1176 CB THR A 76 13.923 -8.186 -0.673 1.00 0.00 C ATOM 1177 OG1 THR A 76 14.832 -7.428 -1.461 1.00 0.00 O ATOM 1178 CG2 THR A 76 14.531 -8.385 0.724 1.00 0.00 C ATOM 0 H THR A 76 12.984 -8.360 -2.942 1.00 0.00 H new ATOM 0 HA THR A 76 14.625 -10.087 -1.422 1.00 0.00 H new ATOM 0 HB THR A 76 12.970 -7.665 -0.579 1.00 0.00 H new ATOM 0 HG1 THR A 76 14.990 -6.560 -1.034 1.00 0.00 H new ATOM 0 HG21 THR A 76 14.697 -7.414 1.190 1.00 0.00 H new ATOM 0 HG22 THR A 76 13.847 -8.970 1.338 1.00 0.00 H new ATOM 0 HG23 THR A 76 15.481 -8.912 0.636 1.00 0.00 H new ATOM 1186 N GLU A 77 11.396 -10.174 -0.715 1.00 0.00 N ATOM 1187 CA GLU A 77 10.352 -10.933 -0.003 1.00 0.00 C ATOM 1188 C GLU A 77 10.477 -10.763 1.524 1.00 0.00 C ATOM 1189 O GLU A 77 10.242 -11.706 2.296 1.00 0.00 O ATOM 1190 CB GLU A 77 10.422 -12.429 -0.384 1.00 0.00 C ATOM 1191 CG GLU A 77 10.200 -12.597 -1.891 1.00 0.00 C ATOM 1192 CD GLU A 77 10.254 -14.073 -2.264 1.00 0.00 C ATOM 1193 OE1 GLU A 77 11.187 -14.738 -1.842 1.00 0.00 O ATOM 1194 OE2 GLU A 77 9.361 -14.520 -2.966 1.00 0.00 O ATOM 0 H GLU A 77 11.035 -9.465 -1.353 1.00 0.00 H new ATOM 0 HA GLU A 77 9.383 -10.535 -0.306 1.00 0.00 H new ATOM 0 HB2 GLU A 77 11.392 -12.839 -0.103 1.00 0.00 H new ATOM 0 HB3 GLU A 77 9.667 -12.989 0.168 1.00 0.00 H new ATOM 0 HG2 GLU A 77 9.235 -12.177 -2.174 1.00 0.00 H new ATOM 0 HG3 GLU A 77 10.961 -12.046 -2.443 1.00 0.00 H new ATOM 1201 N GLU A 78 10.817 -9.542 1.949 1.00 0.00 N ATOM 1202 CA GLU A 78 10.949 -9.221 3.379 1.00 0.00 C ATOM 1203 C GLU A 78 9.838 -8.253 3.836 1.00 0.00 C ATOM 1204 O GLU A 78 10.045 -7.431 4.739 1.00 0.00 O ATOM 1205 CB GLU A 78 12.341 -8.614 3.661 1.00 0.00 C ATOM 1206 CG GLU A 78 13.402 -9.727 3.757 1.00 0.00 C ATOM 1207 CD GLU A 78 13.122 -10.631 4.958 1.00 0.00 C ATOM 1208 OE1 GLU A 78 13.084 -10.118 6.064 1.00 0.00 O ATOM 1209 OE2 GLU A 78 12.951 -11.822 4.752 1.00 0.00 O ATOM 0 H GLU A 78 11.006 -8.758 1.325 1.00 0.00 H new ATOM 0 HA GLU A 78 10.844 -10.145 3.947 1.00 0.00 H new ATOM 0 HB2 GLU A 78 12.608 -7.916 2.868 1.00 0.00 H new ATOM 0 HB3 GLU A 78 12.316 -8.046 4.591 1.00 0.00 H new ATOM 0 HG2 GLU A 78 13.401 -10.318 2.841 1.00 0.00 H new ATOM 0 HG3 GLU A 78 14.394 -9.285 3.850 1.00 0.00 H new ATOM 1216 N GLY A 79 8.662 -8.358 3.198 1.00 0.00 N ATOM 1217 CA GLY A 79 7.520 -7.487 3.525 1.00 0.00 C ATOM 1218 C GLY A 79 7.621 -6.112 2.832 1.00 0.00 C ATOM 1219 O GLY A 79 6.878 -5.187 3.170 1.00 0.00 O ATOM 0 H GLY A 79 8.476 -9.033 2.456 1.00 0.00 H new ATOM 0 HA2 GLY A 79 6.594 -7.977 3.225 1.00 0.00 H new ATOM 0 HA3 GLY A 79 7.470 -7.345 4.605 1.00 0.00 H new ATOM 1223 N SER A 80 8.536 -5.994 1.859 1.00 0.00 N ATOM 1224 CA SER A 80 8.733 -4.746 1.132 1.00 0.00 C ATOM 1225 C SER A 80 7.689 -4.602 0.066 1.00 0.00 C ATOM 1226 O SER A 80 7.148 -5.595 -0.436 1.00 0.00 O ATOM 1227 CB SER A 80 10.115 -4.728 0.491 1.00 0.00 C ATOM 1228 OG SER A 80 11.098 -4.905 1.494 1.00 0.00 O ATOM 0 H SER A 80 9.149 -6.753 1.562 1.00 0.00 H new ATOM 0 HA SER A 80 8.649 -3.916 1.834 1.00 0.00 H new ATOM 0 HB2 SER A 80 10.193 -5.519 -0.255 1.00 0.00 H new ATOM 0 HB3 SER A 80 10.275 -3.783 -0.029 1.00 0.00 H new ATOM 0 HG SER A 80 11.735 -4.161 1.463 1.00 0.00 H new ATOM 1234 N VAL A 81 7.378 -3.357 -0.244 1.00 0.00 N ATOM 1235 CA VAL A 81 6.362 -3.039 -1.216 1.00 0.00 C ATOM 1236 C VAL A 81 6.846 -1.921 -2.146 1.00 0.00 C ATOM 1237 O VAL A 81 7.411 -0.920 -1.688 1.00 0.00 O ATOM 1238 CB VAL A 81 5.066 -2.643 -0.473 1.00 0.00 C ATOM 1239 CG1 VAL A 81 5.281 -1.370 0.364 1.00 0.00 C ATOM 1240 CG2 VAL A 81 3.951 -2.415 -1.472 1.00 0.00 C ATOM 0 H VAL A 81 7.826 -2.541 0.174 1.00 0.00 H new ATOM 0 HA VAL A 81 6.155 -3.909 -1.839 1.00 0.00 H new ATOM 0 HB VAL A 81 4.793 -3.456 0.199 1.00 0.00 H new ATOM 0 HG11 VAL A 81 4.355 -1.111 0.877 1.00 0.00 H new ATOM 0 HG12 VAL A 81 6.066 -1.546 1.099 1.00 0.00 H new ATOM 0 HG13 VAL A 81 5.574 -0.549 -0.291 1.00 0.00 H new ATOM 0 HG21 VAL A 81 3.040 -2.136 -0.943 1.00 0.00 H new ATOM 0 HG22 VAL A 81 4.233 -1.614 -2.156 1.00 0.00 H new ATOM 0 HG23 VAL A 81 3.776 -3.330 -2.038 1.00 0.00 H new ATOM 1250 N ALA A 82 6.623 -2.110 -3.449 1.00 0.00 N ATOM 1251 CA ALA A 82 7.041 -1.132 -4.447 1.00 0.00 C ATOM 1252 C ALA A 82 5.953 -0.924 -5.495 1.00 0.00 C ATOM 1253 O ALA A 82 5.315 -1.880 -5.947 1.00 0.00 O ATOM 1254 CB ALA A 82 8.346 -1.588 -5.117 1.00 0.00 C ATOM 0 H ALA A 82 6.156 -2.931 -3.834 1.00 0.00 H new ATOM 0 HA ALA A 82 7.213 -0.180 -3.944 1.00 0.00 H new ATOM 0 HB1 ALA A 82 8.650 -0.851 -5.861 1.00 0.00 H new ATOM 0 HB2 ALA A 82 9.127 -1.686 -4.363 1.00 0.00 H new ATOM 0 HB3 ALA A 82 8.188 -2.551 -5.603 1.00 0.00 H new ATOM 1260 N LEU A 83 5.762 0.333 -5.877 1.00 0.00 N ATOM 1261 CA LEU A 83 4.776 0.713 -6.872 1.00 0.00 C ATOM 1262 C LEU A 83 5.466 1.435 -8.031 1.00 0.00 C ATOM 1263 O LEU A 83 6.120 2.462 -7.828 1.00 0.00 O ATOM 1264 CB LEU A 83 3.707 1.631 -6.218 1.00 0.00 C ATOM 1265 CG LEU A 83 2.660 2.118 -7.253 1.00 0.00 C ATOM 1266 CD1 LEU A 83 1.831 0.933 -7.785 1.00 0.00 C ATOM 1267 CD2 LEU A 83 1.730 3.139 -6.589 1.00 0.00 C ATOM 0 H LEU A 83 6.292 1.119 -5.501 1.00 0.00 H new ATOM 0 HA LEU A 83 4.284 -0.179 -7.260 1.00 0.00 H new ATOM 0 HB2 LEU A 83 3.203 1.090 -5.417 1.00 0.00 H new ATOM 0 HB3 LEU A 83 4.196 2.492 -5.762 1.00 0.00 H new ATOM 0 HG LEU A 83 3.181 2.580 -8.091 1.00 0.00 H new ATOM 0 HD11 LEU A 83 1.102 1.295 -8.510 1.00 0.00 H new ATOM 0 HD12 LEU A 83 2.493 0.212 -8.265 1.00 0.00 H new ATOM 0 HD13 LEU A 83 1.311 0.452 -6.957 1.00 0.00 H new ATOM 0 HD21 LEU A 83 0.992 3.484 -7.313 1.00 0.00 H new ATOM 0 HD22 LEU A 83 1.220 2.673 -5.746 1.00 0.00 H new ATOM 0 HD23 LEU A 83 2.315 3.988 -6.235 1.00 0.00 H new ATOM 1279 N LYS A 84 5.301 0.895 -9.236 1.00 0.00 N ATOM 1280 CA LYS A 84 5.895 1.484 -10.430 1.00 0.00 C ATOM 1281 C LYS A 84 4.925 2.481 -11.066 1.00 0.00 C ATOM 1282 O LYS A 84 3.812 2.116 -11.437 1.00 0.00 O ATOM 1283 CB LYS A 84 6.258 0.373 -11.431 1.00 0.00 C ATOM 1284 CG LYS A 84 7.037 0.963 -12.623 1.00 0.00 C ATOM 1285 CD LYS A 84 7.368 -0.144 -13.640 1.00 0.00 C ATOM 1286 CE LYS A 84 8.476 -1.055 -13.087 1.00 0.00 C ATOM 1287 NZ LYS A 84 8.846 -2.069 -14.115 1.00 0.00 N ATOM 0 H LYS A 84 4.759 0.048 -9.410 1.00 0.00 H new ATOM 0 HA LYS A 84 6.803 2.018 -10.151 1.00 0.00 H new ATOM 0 HB2 LYS A 84 6.859 -0.390 -10.936 1.00 0.00 H new ATOM 0 HB3 LYS A 84 5.351 -0.117 -11.786 1.00 0.00 H new ATOM 0 HG2 LYS A 84 6.446 1.743 -13.103 1.00 0.00 H new ATOM 0 HG3 LYS A 84 7.956 1.430 -12.271 1.00 0.00 H new ATOM 0 HD2 LYS A 84 6.475 -0.732 -13.853 1.00 0.00 H new ATOM 0 HD3 LYS A 84 7.689 0.301 -14.582 1.00 0.00 H new ATOM 0 HE2 LYS A 84 9.349 -0.461 -12.817 1.00 0.00 H new ATOM 0 HE3 LYS A 84 8.134 -1.551 -12.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 9.596 -2.685 -13.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 8.012 -2.643 -14.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 9.189 -1.587 -14.970 1.00 0.00 H new ATOM 1301 N ILE A 85 5.366 3.742 -11.190 1.00 0.00 N ATOM 1302 CA ILE A 85 4.537 4.801 -11.783 1.00 0.00 C ATOM 1303 C ILE A 85 5.068 5.162 -13.175 1.00 0.00 C ATOM 1304 O ILE A 85 6.276 5.270 -13.371 1.00 0.00 O ATOM 1305 CB ILE A 85 4.513 6.043 -10.848 1.00 0.00 C ATOM 1306 CG1 ILE A 85 3.583 7.134 -11.422 1.00 0.00 C ATOM 1307 CG2 ILE A 85 5.928 6.613 -10.678 1.00 0.00 C ATOM 1308 CD1 ILE A 85 2.117 6.712 -11.254 1.00 0.00 C ATOM 0 H ILE A 85 6.290 4.052 -10.888 1.00 0.00 H new ATOM 0 HA ILE A 85 3.514 4.442 -11.894 1.00 0.00 H new ATOM 0 HB ILE A 85 4.135 5.728 -9.875 1.00 0.00 H new ATOM 0 HG12 ILE A 85 3.759 8.080 -10.910 1.00 0.00 H new ATOM 0 HG13 ILE A 85 3.805 7.296 -12.477 1.00 0.00 H new ATOM 0 HG21 ILE A 85 5.894 7.482 -10.021 1.00 0.00 H new ATOM 0 HG22 ILE A 85 6.576 5.853 -10.242 1.00 0.00 H new ATOM 0 HG23 ILE A 85 6.320 6.909 -11.651 1.00 0.00 H new ATOM 0 HD11 ILE A 85 1.467 7.486 -11.661 1.00 0.00 H new ATOM 0 HD12 ILE A 85 1.944 5.776 -11.786 1.00 0.00 H new ATOM 0 HD13 ILE A 85 1.897 6.573 -10.195 1.00 0.00 H new ATOM 1320 N ARG A 86 4.157 5.277 -14.145 1.00 0.00 N ATOM 1321 CA ARG A 86 4.543 5.540 -15.537 1.00 0.00 C ATOM 1322 C ARG A 86 4.667 7.038 -15.839 1.00 0.00 C ATOM 1323 O ARG A 86 3.845 7.848 -15.407 1.00 0.00 O ATOM 1324 CB ARG A 86 3.524 4.896 -16.499 1.00 0.00 C ATOM 1325 CG ARG A 86 3.868 3.410 -16.729 1.00 0.00 C ATOM 1326 CD ARG A 86 3.463 2.586 -15.504 1.00 0.00 C ATOM 1327 NE ARG A 86 3.688 1.148 -15.752 1.00 0.00 N ATOM 1328 CZ ARG A 86 2.807 0.361 -16.423 1.00 0.00 C ATOM 1329 NH1 ARG A 86 1.679 0.847 -16.905 1.00 0.00 N ATOM 1330 NH2 ARG A 86 3.079 -0.904 -16.589 1.00 0.00 N ATOM 0 H ARG A 86 3.152 5.193 -13.995 1.00 0.00 H new ATOM 0 HA ARG A 86 5.527 5.096 -15.686 1.00 0.00 H new ATOM 0 HB2 ARG A 86 2.519 4.984 -16.087 1.00 0.00 H new ATOM 0 HB3 ARG A 86 3.526 5.428 -17.450 1.00 0.00 H new ATOM 0 HG2 ARG A 86 3.350 3.041 -17.614 1.00 0.00 H new ATOM 0 HG3 ARG A 86 4.936 3.300 -16.915 1.00 0.00 H new ATOM 0 HD2 ARG A 86 4.039 2.906 -14.636 1.00 0.00 H new ATOM 0 HD3 ARG A 86 2.413 2.761 -15.271 1.00 0.00 H new ATOM 0 HE ARG A 86 4.547 0.724 -15.402 1.00 0.00 H new ATOM 0 HH11 ARG A 86 1.453 1.833 -16.777 1.00 0.00 H new ATOM 0 HH12 ARG A 86 1.033 0.236 -17.405 1.00 0.00 H new ATOM 0 HH21 ARG A 86 3.946 -1.292 -16.217 1.00 0.00 H new ATOM 0 HH22 ARG A 86 2.425 -1.505 -17.091 1.00 0.00 H new ATOM 1344 N GLN A 87 5.669 7.368 -16.660 1.00 0.00 N ATOM 1345 CA GLN A 87 5.896 8.742 -17.137 1.00 0.00 C ATOM 1346 C GLN A 87 6.100 9.747 -15.981 1.00 0.00 C ATOM 1347 O GLN A 87 5.359 10.735 -15.853 1.00 0.00 O ATOM 1348 CB GLN A 87 4.730 9.194 -18.068 1.00 0.00 C ATOM 1349 CG GLN A 87 4.504 8.170 -19.217 1.00 0.00 C ATOM 1350 CD GLN A 87 5.800 7.902 -19.994 1.00 0.00 C ATOM 1351 OE1 GLN A 87 6.400 8.824 -20.546 1.00 0.00 O ATOM 1352 NE2 GLN A 87 6.270 6.682 -20.049 1.00 0.00 N ATOM 0 H GLN A 87 6.347 6.693 -17.014 1.00 0.00 H new ATOM 0 HA GLN A 87 6.824 8.734 -17.709 1.00 0.00 H new ATOM 0 HB2 GLN A 87 3.815 9.300 -17.485 1.00 0.00 H new ATOM 0 HB3 GLN A 87 4.955 10.174 -18.489 1.00 0.00 H new ATOM 0 HG2 GLN A 87 4.126 7.235 -18.803 1.00 0.00 H new ATOM 0 HG3 GLN A 87 3.742 8.548 -19.898 1.00 0.00 H new ATOM 0 HE21 GLN A 87 5.769 5.921 -19.590 1.00 0.00 H new ATOM 0 HE22 GLN A 87 7.137 6.492 -20.551 1.00 0.00 H new ATOM 1361 N VAL A 88 7.127 9.497 -15.154 1.00 0.00 N ATOM 1362 CA VAL A 88 7.449 10.389 -14.031 1.00 0.00 C ATOM 1363 C VAL A 88 7.811 11.801 -14.541 1.00 0.00 C ATOM 1364 O VAL A 88 8.272 11.957 -15.673 1.00 0.00 O ATOM 1365 CB VAL A 88 8.598 9.783 -13.170 1.00 0.00 C ATOM 1366 CG1 VAL A 88 9.983 9.909 -13.877 1.00 0.00 C ATOM 1367 CG2 VAL A 88 8.635 10.487 -11.804 1.00 0.00 C ATOM 0 H VAL A 88 7.745 8.690 -15.241 1.00 0.00 H new ATOM 0 HA VAL A 88 6.568 10.484 -13.397 1.00 0.00 H new ATOM 0 HB VAL A 88 8.398 8.720 -13.036 1.00 0.00 H new ATOM 0 HG11 VAL A 88 10.756 9.475 -13.243 1.00 0.00 H new ATOM 0 HG12 VAL A 88 9.955 9.380 -14.829 1.00 0.00 H new ATOM 0 HG13 VAL A 88 10.207 10.961 -14.053 1.00 0.00 H new ATOM 0 HG21 VAL A 88 9.438 10.065 -11.199 1.00 0.00 H new ATOM 0 HG22 VAL A 88 8.811 11.553 -11.949 1.00 0.00 H new ATOM 0 HG23 VAL A 88 7.682 10.343 -11.294 1.00 0.00 H new ATOM 1377 N GLN A 89 7.590 12.812 -13.694 1.00 0.00 N ATOM 1378 CA GLN A 89 7.894 14.216 -14.057 1.00 0.00 C ATOM 1379 C GLN A 89 8.259 15.084 -12.813 1.00 0.00 C ATOM 1380 O GLN A 89 8.105 14.628 -11.667 1.00 0.00 O ATOM 1381 CB GLN A 89 6.766 14.894 -14.940 1.00 0.00 C ATOM 1382 CG GLN A 89 5.371 14.239 -14.766 1.00 0.00 C ATOM 1383 CD GLN A 89 4.714 14.719 -13.488 1.00 0.00 C ATOM 1384 OE1 GLN A 89 3.815 15.559 -13.531 1.00 0.00 O ATOM 1385 NE2 GLN A 89 5.123 14.257 -12.352 1.00 0.00 N ATOM 0 H GLN A 89 7.205 12.694 -12.757 1.00 0.00 H new ATOM 0 HA GLN A 89 8.782 14.168 -14.688 1.00 0.00 H new ATOM 0 HB2 GLN A 89 6.698 15.951 -14.681 1.00 0.00 H new ATOM 0 HB3 GLN A 89 7.056 14.841 -15.989 1.00 0.00 H new ATOM 0 HG2 GLN A 89 4.739 14.483 -15.620 1.00 0.00 H new ATOM 0 HG3 GLN A 89 5.473 13.154 -14.744 1.00 0.00 H new ATOM 0 HE21 GLN A 89 5.868 13.561 -12.323 1.00 0.00 H new ATOM 0 HE22 GLN A 89 4.700 14.588 -11.485 1.00 0.00 H new ATOM 1394 N PRO A 90 8.800 16.315 -13.010 1.00 0.00 N ATOM 1395 CA PRO A 90 9.244 17.190 -11.870 1.00 0.00 C ATOM 1396 C PRO A 90 8.181 17.325 -10.784 1.00 0.00 C ATOM 1397 O PRO A 90 8.513 17.373 -9.595 1.00 0.00 O ATOM 1398 CB PRO A 90 9.513 18.535 -12.543 1.00 0.00 C ATOM 1399 CG PRO A 90 9.930 18.176 -13.926 1.00 0.00 C ATOM 1400 CD PRO A 90 9.052 16.996 -14.321 1.00 0.00 C ATOM 0 HA PRO A 90 10.111 16.779 -11.353 1.00 0.00 H new ATOM 0 HB2 PRO A 90 8.622 19.164 -12.546 1.00 0.00 H new ATOM 0 HB3 PRO A 90 10.294 19.091 -12.024 1.00 0.00 H new ATOM 0 HG2 PRO A 90 9.791 19.015 -14.608 1.00 0.00 H new ATOM 0 HG3 PRO A 90 10.986 17.909 -13.961 1.00 0.00 H new ATOM 0 HD2 PRO A 90 8.125 17.322 -14.792 1.00 0.00 H new ATOM 0 HD3 PRO A 90 9.555 16.337 -15.029 1.00 0.00 H new ATOM 1408 N SER A 91 6.908 17.356 -11.189 1.00 0.00 N ATOM 1409 CA SER A 91 5.807 17.451 -10.222 1.00 0.00 C ATOM 1410 C SER A 91 5.825 16.244 -9.277 1.00 0.00 C ATOM 1411 O SER A 91 5.545 16.376 -8.081 1.00 0.00 O ATOM 1412 CB SER A 91 4.466 17.521 -10.947 1.00 0.00 C ATOM 1413 OG SER A 91 4.397 18.728 -11.696 1.00 0.00 O ATOM 0 H SER A 91 6.615 17.317 -12.165 1.00 0.00 H new ATOM 0 HA SER A 91 5.939 18.362 -9.638 1.00 0.00 H new ATOM 0 HB2 SER A 91 4.352 16.662 -11.609 1.00 0.00 H new ATOM 0 HB3 SER A 91 3.648 17.479 -10.227 1.00 0.00 H new ATOM 0 HG SER A 91 3.537 18.774 -12.164 1.00 0.00 H new ATOM 1419 N ASP A 92 6.215 15.080 -9.816 1.00 0.00 N ATOM 1420 CA ASP A 92 6.346 13.855 -9.023 1.00 0.00 C ATOM 1421 C ASP A 92 7.448 14.012 -7.980 1.00 0.00 C ATOM 1422 O ASP A 92 7.351 13.474 -6.874 1.00 0.00 O ATOM 1423 CB ASP A 92 6.664 12.663 -9.928 1.00 0.00 C ATOM 1424 CG ASP A 92 6.644 11.371 -9.119 1.00 0.00 C ATOM 1425 OD1 ASP A 92 5.576 11.000 -8.658 1.00 0.00 O ATOM 1426 OD2 ASP A 92 7.695 10.770 -8.974 1.00 0.00 O ATOM 0 H ASP A 92 6.446 14.964 -10.803 1.00 0.00 H new ATOM 0 HA ASP A 92 5.398 13.675 -8.517 1.00 0.00 H new ATOM 0 HB2 ASP A 92 5.936 12.606 -10.737 1.00 0.00 H new ATOM 0 HB3 ASP A 92 7.642 12.797 -10.389 1.00 0.00 H new ATOM 1431 N ASP A 93 8.516 14.735 -8.359 1.00 0.00 N ATOM 1432 CA ASP A 93 9.667 14.947 -7.473 1.00 0.00 C ATOM 1433 C ASP A 93 9.221 15.422 -6.096 1.00 0.00 C ATOM 1434 O ASP A 93 8.462 16.391 -5.976 1.00 0.00 O ATOM 1435 CB ASP A 93 10.611 15.994 -8.080 1.00 0.00 C ATOM 1436 CG ASP A 93 11.952 16.048 -7.317 1.00 0.00 C ATOM 1437 OD1 ASP A 93 11.990 15.639 -6.162 1.00 0.00 O ATOM 1438 OD2 ASP A 93 12.918 16.502 -7.907 1.00 0.00 O ATOM 0 H ASP A 93 8.603 15.181 -9.272 1.00 0.00 H new ATOM 0 HA ASP A 93 10.185 13.994 -7.366 1.00 0.00 H new ATOM 0 HB2 ASP A 93 10.795 15.757 -9.128 1.00 0.00 H new ATOM 0 HB3 ASP A 93 10.135 16.974 -8.054 1.00 0.00 H new ATOM 1443 N GLY A 94 9.699 14.728 -5.059 1.00 0.00 N ATOM 1444 CA GLY A 94 9.355 15.065 -3.684 1.00 0.00 C ATOM 1445 C GLY A 94 9.422 13.835 -2.794 1.00 0.00 C ATOM 1446 O GLY A 94 10.151 12.879 -3.090 1.00 0.00 O ATOM 0 H GLY A 94 10.326 13.929 -5.151 1.00 0.00 H new ATOM 0 HA2 GLY A 94 10.038 15.828 -3.310 1.00 0.00 H new ATOM 0 HA3 GLY A 94 8.352 15.490 -3.649 1.00 0.00 H new ATOM 1450 N GLN A 95 8.666 13.871 -1.695 1.00 0.00 N ATOM 1451 CA GLN A 95 8.617 12.758 -0.751 1.00 0.00 C ATOM 1452 C GLN A 95 7.226 12.125 -0.714 1.00 0.00 C ATOM 1453 O GLN A 95 6.207 12.834 -0.729 1.00 0.00 O ATOM 1454 CB GLN A 95 9.008 13.232 0.654 1.00 0.00 C ATOM 1455 CG GLN A 95 10.481 13.665 0.674 1.00 0.00 C ATOM 1456 CD GLN A 95 10.643 15.034 0.020 1.00 0.00 C ATOM 1457 OE1 GLN A 95 9.848 15.940 0.268 1.00 0.00 O ATOM 1458 NE2 GLN A 95 11.634 15.239 -0.805 1.00 0.00 N ATOM 0 H GLN A 95 8.078 14.664 -1.438 1.00 0.00 H new ATOM 0 HA GLN A 95 9.329 12.005 -1.088 1.00 0.00 H new ATOM 0 HB2 GLN A 95 8.372 14.064 0.955 1.00 0.00 H new ATOM 0 HB3 GLN A 95 8.847 12.430 1.375 1.00 0.00 H new ATOM 0 HG2 GLN A 95 10.842 13.701 1.702 1.00 0.00 H new ATOM 0 HG3 GLN A 95 11.090 12.930 0.148 1.00 0.00 H new ATOM 0 HE21 GLN A 95 12.292 14.487 -1.009 1.00 0.00 H new ATOM 0 HE22 GLN A 95 11.750 16.152 -1.245 1.00 0.00 H new ATOM 1467 N TYR A 96 7.190 10.789 -0.610 1.00 0.00 N ATOM 1468 CA TYR A 96 5.924 10.054 -0.489 1.00 0.00 C ATOM 1469 C TYR A 96 5.847 9.344 0.847 1.00 0.00 C ATOM 1470 O TYR A 96 6.793 8.666 1.252 1.00 0.00 O ATOM 1471 CB TYR A 96 5.757 9.023 -1.614 1.00 0.00 C ATOM 1472 CG TYR A 96 5.343 9.681 -2.918 1.00 0.00 C ATOM 1473 CD1 TYR A 96 6.276 10.381 -3.679 1.00 0.00 C ATOM 1474 CD2 TYR A 96 4.025 9.543 -3.382 1.00 0.00 C ATOM 1475 CE1 TYR A 96 5.899 10.947 -4.902 1.00 0.00 C ATOM 1476 CE2 TYR A 96 3.647 10.114 -4.599 1.00 0.00 C ATOM 1477 CZ TYR A 96 4.586 10.813 -5.361 1.00 0.00 C ATOM 1478 OH TYR A 96 4.218 11.366 -6.568 1.00 0.00 O ATOM 0 H TYR A 96 8.021 10.197 -0.607 1.00 0.00 H new ATOM 0 HA TYR A 96 5.120 10.786 -0.565 1.00 0.00 H new ATOM 0 HB2 TYR A 96 6.695 8.486 -1.758 1.00 0.00 H new ATOM 0 HB3 TYR A 96 5.009 8.285 -1.324 1.00 0.00 H new ATOM 0 HD1 TYR A 96 7.291 10.487 -3.325 1.00 0.00 H new ATOM 0 HD2 TYR A 96 3.302 8.994 -2.797 1.00 0.00 H new ATOM 0 HE1 TYR A 96 6.624 11.488 -5.492 1.00 0.00 H new ATOM 0 HE2 TYR A 96 2.631 10.015 -4.950 1.00 0.00 H new ATOM 0 HH TYR A 96 5.007 11.452 -7.143 1.00 0.00 H new ATOM 1488 N TRP A 97 4.701 9.483 1.518 1.00 0.00 N ATOM 1489 CA TRP A 97 4.491 8.836 2.803 1.00 0.00 C ATOM 1490 C TRP A 97 3.848 7.470 2.623 1.00 0.00 C ATOM 1491 O TRP A 97 2.749 7.355 2.069 1.00 0.00 O ATOM 1492 CB TRP A 97 3.610 9.707 3.705 1.00 0.00 C ATOM 1493 CG TRP A 97 4.360 10.938 4.105 1.00 0.00 C ATOM 1494 CD1 TRP A 97 5.124 11.055 5.215 1.00 0.00 C ATOM 1495 CD2 TRP A 97 4.426 12.221 3.425 1.00 0.00 C ATOM 1496 NE1 TRP A 97 5.661 12.330 5.254 1.00 0.00 N ATOM 1497 CE2 TRP A 97 5.258 13.086 4.172 1.00 0.00 C ATOM 1498 CE3 TRP A 97 3.852 12.714 2.240 1.00 0.00 C ATOM 1499 CZ2 TRP A 97 5.512 14.393 3.761 1.00 0.00 C ATOM 1500 CZ3 TRP A 97 4.105 14.032 1.823 1.00 0.00 C ATOM 1501 CH2 TRP A 97 4.934 14.869 2.583 1.00 0.00 C ATOM 0 H TRP A 97 3.910 10.037 1.189 1.00 0.00 H new ATOM 0 HA TRP A 97 5.465 8.705 3.275 1.00 0.00 H new ATOM 0 HB2 TRP A 97 2.695 9.981 3.180 1.00 0.00 H new ATOM 0 HB3 TRP A 97 3.313 9.146 4.591 1.00 0.00 H new ATOM 0 HD1 TRP A 97 5.288 10.281 5.950 1.00 0.00 H new ATOM 0 HE1 TRP A 97 6.279 12.669 5.992 1.00 0.00 H new ATOM 0 HE3 TRP A 97 3.213 12.076 1.647 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 6.152 15.033 4.350 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 3.658 14.402 0.912 1.00 0.00 H new ATOM 0 HH2 TRP A 97 5.125 15.881 2.257 1.00 0.00 H new ATOM 1512 N CYS A 98 4.521 6.445 3.142 1.00 0.00 N ATOM 1513 CA CYS A 98 4.014 5.083 3.101 1.00 0.00 C ATOM 1514 C CYS A 98 3.308 4.788 4.411 1.00 0.00 C ATOM 1515 O CYS A 98 3.948 4.749 5.463 1.00 0.00 O ATOM 1516 CB CYS A 98 5.182 4.110 2.908 1.00 0.00 C ATOM 1517 SG CYS A 98 4.574 2.406 2.879 1.00 0.00 S ATOM 0 H CYS A 98 5.428 6.538 3.600 1.00 0.00 H new ATOM 0 HA CYS A 98 3.315 4.967 2.272 1.00 0.00 H new ATOM 0 HB2 CYS A 98 5.702 4.334 1.977 1.00 0.00 H new ATOM 0 HB3 CYS A 98 5.905 4.233 3.715 1.00 0.00 H new ATOM 1522 N ARG A 99 1.978 4.643 4.351 1.00 0.00 N ATOM 1523 CA ARG A 99 1.175 4.431 5.548 1.00 0.00 C ATOM 1524 C ARG A 99 0.539 3.044 5.545 1.00 0.00 C ATOM 1525 O ARG A 99 -0.267 2.722 4.668 1.00 0.00 O ATOM 1526 CB ARG A 99 0.093 5.524 5.621 1.00 0.00 C ATOM 1527 CG ARG A 99 -0.662 5.449 6.951 1.00 0.00 C ATOM 1528 CD ARG A 99 -1.512 6.715 7.126 1.00 0.00 C ATOM 1529 NE ARG A 99 -2.615 6.757 6.149 1.00 0.00 N ATOM 1530 CZ ARG A 99 -3.503 7.789 6.086 1.00 0.00 C ATOM 1531 NH1 ARG A 99 -3.422 8.815 6.912 1.00 0.00 N ATOM 1532 NH2 ARG A 99 -4.455 7.764 5.194 1.00 0.00 N ATOM 0 H ARG A 99 1.442 4.670 3.484 1.00 0.00 H new ATOM 0 HA ARG A 99 1.818 4.492 6.426 1.00 0.00 H new ATOM 0 HB2 ARG A 99 0.553 6.506 5.513 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -0.606 5.407 4.793 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -1.299 4.564 6.971 1.00 0.00 H new ATOM 0 HG3 ARG A 99 0.043 5.354 7.777 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -1.917 6.747 8.137 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -0.883 7.597 7.007 1.00 0.00 H new ATOM 0 HE ARG A 99 -2.718 5.982 5.494 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -2.684 8.846 7.615 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -4.097 9.577 6.847 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -4.530 6.976 4.551 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -5.124 8.532 5.140 1.00 0.00 H new ATOM 1546 N PHE A 100 0.881 2.247 6.564 1.00 0.00 N ATOM 1547 CA PHE A 100 0.326 0.905 6.724 1.00 0.00 C ATOM 1548 C PHE A 100 -0.876 0.977 7.663 1.00 0.00 C ATOM 1549 O PHE A 100 -0.737 1.379 8.823 1.00 0.00 O ATOM 1550 CB PHE A 100 1.409 -0.039 7.298 1.00 0.00 C ATOM 1551 CG PHE A 100 0.874 -1.457 7.422 1.00 0.00 C ATOM 1552 CD1 PHE A 100 0.822 -2.290 6.296 1.00 0.00 C ATOM 1553 CD2 PHE A 100 0.438 -1.934 8.665 1.00 0.00 C ATOM 1554 CE1 PHE A 100 0.334 -3.597 6.414 1.00 0.00 C ATOM 1555 CE2 PHE A 100 -0.051 -3.241 8.783 1.00 0.00 C ATOM 1556 CZ PHE A 100 -0.103 -4.072 7.657 1.00 0.00 C ATOM 0 H PHE A 100 1.544 2.514 7.292 1.00 0.00 H new ATOM 0 HA PHE A 100 0.004 0.514 5.759 1.00 0.00 H new ATOM 0 HB2 PHE A 100 2.286 -0.031 6.651 1.00 0.00 H new ATOM 0 HB3 PHE A 100 1.731 0.320 8.275 1.00 0.00 H new ATOM 0 HD1 PHE A 100 1.158 -1.924 5.337 1.00 0.00 H new ATOM 0 HD2 PHE A 100 0.479 -1.293 9.533 1.00 0.00 H new ATOM 0 HE1 PHE A 100 0.295 -4.239 5.546 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -0.388 -3.608 9.741 1.00 0.00 H new ATOM 0 HZ PHE A 100 -0.480 -5.080 7.747 1.00 0.00 H new ATOM 1566 N GLN A 101 -2.060 0.627 7.141 1.00 0.00 N ATOM 1567 CA GLN A 101 -3.295 0.710 7.923 1.00 0.00 C ATOM 1568 C GLN A 101 -3.885 -0.675 8.188 1.00 0.00 C ATOM 1569 O GLN A 101 -4.189 -1.429 7.255 1.00 0.00 O ATOM 1570 CB GLN A 101 -4.320 1.593 7.186 1.00 0.00 C ATOM 1571 CG GLN A 101 -5.556 1.835 8.071 1.00 0.00 C ATOM 1572 CD GLN A 101 -6.555 2.733 7.344 1.00 0.00 C ATOM 1573 OE1 GLN A 101 -6.160 3.664 6.638 1.00 0.00 O ATOM 1574 NE2 GLN A 101 -7.836 2.507 7.473 1.00 0.00 N ATOM 0 H GLN A 101 -2.185 0.287 6.188 1.00 0.00 H new ATOM 0 HA GLN A 101 -3.056 1.158 8.888 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -3.863 2.546 6.920 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -4.620 1.113 6.255 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -6.026 0.884 8.321 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -5.255 2.299 9.010 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -8.162 1.737 8.057 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -8.510 3.101 6.990 1.00 0.00 H new ATOM 1583 N GLU A 102 -4.091 -0.966 9.471 1.00 0.00 N ATOM 1584 CA GLU A 102 -4.704 -2.212 9.909 1.00 0.00 C ATOM 1585 C GLU A 102 -5.454 -1.968 11.217 1.00 0.00 C ATOM 1586 O GLU A 102 -4.895 -1.398 12.161 1.00 0.00 O ATOM 1587 CB GLU A 102 -3.630 -3.299 10.099 1.00 0.00 C ATOM 1588 CG GLU A 102 -4.302 -4.653 10.430 1.00 0.00 C ATOM 1589 CD GLU A 102 -3.263 -5.792 10.561 1.00 0.00 C ATOM 1590 OE1 GLU A 102 -2.073 -5.534 10.397 1.00 0.00 O ATOM 1591 OE2 GLU A 102 -3.680 -6.906 10.824 1.00 0.00 O ATOM 0 H GLU A 102 -3.836 -0.341 10.236 1.00 0.00 H new ATOM 0 HA GLU A 102 -5.405 -2.558 9.150 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -3.031 -3.393 9.193 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -2.951 -3.014 10.903 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -4.862 -4.563 11.361 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -5.020 -4.903 9.649 1.00 0.00 H new ATOM 1598 N GLY A 103 -6.727 -2.370 11.255 1.00 0.00 N ATOM 1599 CA GLY A 103 -7.564 -2.159 12.438 1.00 0.00 C ATOM 1600 C GLY A 103 -7.658 -0.669 12.767 1.00 0.00 C ATOM 1601 O GLY A 103 -7.903 0.156 11.881 1.00 0.00 O ATOM 0 H GLY A 103 -7.199 -2.842 10.483 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -8.561 -2.562 12.262 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -7.147 -2.700 13.287 1.00 0.00 H new ATOM 1605 N ASP A 104 -7.454 -0.331 14.047 1.00 0.00 N ATOM 1606 CA ASP A 104 -7.510 1.071 14.498 1.00 0.00 C ATOM 1607 C ASP A 104 -6.105 1.666 14.735 1.00 0.00 C ATOM 1608 O ASP A 104 -5.980 2.738 15.335 1.00 0.00 O ATOM 1609 CB ASP A 104 -8.333 1.176 15.782 1.00 0.00 C ATOM 1610 CG ASP A 104 -7.683 0.353 16.889 1.00 0.00 C ATOM 1611 OD1 ASP A 104 -6.869 0.905 17.612 1.00 0.00 O ATOM 1612 OD2 ASP A 104 -8.009 -0.818 16.998 1.00 0.00 O ATOM 0 H ASP A 104 -7.250 -1.003 14.787 1.00 0.00 H new ATOM 0 HA ASP A 104 -7.984 1.646 13.703 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -8.409 2.219 16.090 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -9.348 0.822 15.603 1.00 0.00 H new ATOM 1617 N TYR A 105 -5.056 0.958 14.279 1.00 0.00 N ATOM 1618 CA TYR A 105 -3.674 1.417 14.465 1.00 0.00 C ATOM 1619 C TYR A 105 -2.917 1.409 13.127 1.00 0.00 C ATOM 1620 O TYR A 105 -2.991 0.437 12.369 1.00 0.00 O ATOM 1621 CB TYR A 105 -2.958 0.520 15.496 1.00 0.00 C ATOM 1622 CG TYR A 105 -1.567 1.056 15.787 1.00 0.00 C ATOM 1623 CD1 TYR A 105 -1.397 2.098 16.709 1.00 0.00 C ATOM 1624 CD2 TYR A 105 -0.454 0.511 15.135 1.00 0.00 C ATOM 1625 CE1 TYR A 105 -0.115 2.594 16.976 1.00 0.00 C ATOM 1626 CE2 TYR A 105 0.827 1.007 15.403 1.00 0.00 C ATOM 1627 CZ TYR A 105 0.996 2.049 16.324 1.00 0.00 C ATOM 1628 OH TYR A 105 2.260 2.537 16.587 1.00 0.00 O ATOM 0 H TYR A 105 -5.141 0.071 13.782 1.00 0.00 H new ATOM 0 HA TYR A 105 -3.691 2.441 14.839 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -3.539 0.479 16.417 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -2.890 -0.499 15.116 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -2.255 2.518 17.213 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -0.584 -0.292 14.425 1.00 0.00 H new ATOM 0 HE1 TYR A 105 0.016 3.398 17.686 1.00 0.00 H new ATOM 0 HE2 TYR A 105 1.685 0.586 14.900 1.00 0.00 H new ATOM 0 HH TYR A 105 2.918 2.047 16.051 1.00 0.00 H new ATOM 1638 N TRP A 106 -2.190 2.505 12.852 1.00 0.00 N ATOM 1639 CA TRP A 106 -1.418 2.626 11.610 1.00 0.00 C ATOM 1640 C TRP A 106 -0.138 3.448 11.834 1.00 0.00 C ATOM 1641 O TRP A 106 -0.024 4.181 12.822 1.00 0.00 O ATOM 1642 CB TRP A 106 -2.289 3.259 10.495 1.00 0.00 C ATOM 1643 CG TRP A 106 -2.703 4.650 10.877 1.00 0.00 C ATOM 1644 CD1 TRP A 106 -2.049 5.772 10.510 1.00 0.00 C ATOM 1645 CD2 TRP A 106 -3.827 5.078 11.698 1.00 0.00 C ATOM 1646 NE1 TRP A 106 -2.707 6.867 11.042 1.00 0.00 N ATOM 1647 CE2 TRP A 106 -3.808 6.489 11.786 1.00 0.00 C ATOM 1648 CE3 TRP A 106 -4.854 4.385 12.365 1.00 0.00 C ATOM 1649 CZ2 TRP A 106 -4.771 7.191 12.511 1.00 0.00 C ATOM 1650 CZ3 TRP A 106 -5.827 5.089 13.097 1.00 0.00 C ATOM 1651 CH2 TRP A 106 -5.783 6.490 13.168 1.00 0.00 C ATOM 0 H TRP A 106 -2.123 3.313 13.470 1.00 0.00 H new ATOM 0 HA TRP A 106 -1.121 1.626 11.293 1.00 0.00 H new ATOM 0 HB2 TRP A 106 -1.731 3.284 9.559 1.00 0.00 H new ATOM 0 HB3 TRP A 106 -3.173 2.645 10.323 1.00 0.00 H new ATOM 0 HD1 TRP A 106 -1.158 5.809 9.901 1.00 0.00 H new ATOM 0 HE1 TRP A 106 -2.415 7.834 10.902 1.00 0.00 H new ATOM 0 HE3 TRP A 106 -4.895 3.307 12.315 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 -4.734 8.269 12.563 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 -6.611 4.549 13.607 1.00 0.00 H new ATOM 0 HH2 TRP A 106 -6.533 7.026 13.731 1.00 0.00 H new ATOM 1662 N ARG A 107 0.818 3.309 10.910 1.00 0.00 N ATOM 1663 CA ARG A 107 2.097 4.026 10.995 1.00 0.00 C ATOM 1664 C ARG A 107 2.497 4.535 9.609 1.00 0.00 C ATOM 1665 O ARG A 107 2.268 3.849 8.607 1.00 0.00 O ATOM 1666 CB ARG A 107 3.187 3.084 11.537 1.00 0.00 C ATOM 1667 CG ARG A 107 4.489 3.859 11.836 1.00 0.00 C ATOM 1668 CD ARG A 107 4.311 4.739 13.087 1.00 0.00 C ATOM 1669 NE ARG A 107 5.557 5.479 13.382 1.00 0.00 N ATOM 1670 CZ ARG A 107 5.865 6.678 12.821 1.00 0.00 C ATOM 1671 NH1 ARG A 107 5.045 7.270 11.979 1.00 0.00 N ATOM 1672 NH2 ARG A 107 6.997 7.253 13.122 1.00 0.00 N ATOM 0 H ARG A 107 0.731 2.705 10.092 1.00 0.00 H new ATOM 0 HA ARG A 107 1.988 4.874 11.671 1.00 0.00 H new ATOM 0 HB2 ARG A 107 2.833 2.597 12.445 1.00 0.00 H new ATOM 0 HB3 ARG A 107 3.387 2.297 10.810 1.00 0.00 H new ATOM 0 HG2 ARG A 107 5.310 3.159 11.989 1.00 0.00 H new ATOM 0 HG3 ARG A 107 4.755 4.480 10.981 1.00 0.00 H new ATOM 0 HD2 ARG A 107 3.492 5.441 12.931 1.00 0.00 H new ATOM 0 HD3 ARG A 107 4.040 4.117 13.940 1.00 0.00 H new ATOM 0 HE ARG A 107 6.219 5.068 14.040 1.00 0.00 H new ATOM 0 HH11 ARG A 107 4.158 6.829 11.736 1.00 0.00 H new ATOM 0 HH12 ARG A 107 5.296 8.170 11.570 1.00 0.00 H new ATOM 0 HH21 ARG A 107 7.641 6.803 13.773 1.00 0.00 H new ATOM 0 HH22 ARG A 107 7.238 8.153 12.707 1.00 0.00 H new ATOM 1686 N GLU A 108 3.067 5.753 9.549 1.00 0.00 N ATOM 1687 CA GLU A 108 3.460 6.347 8.264 1.00 0.00 C ATOM 1688 C GLU A 108 4.859 6.976 8.320 1.00 0.00 C ATOM 1689 O GLU A 108 5.280 7.489 9.357 1.00 0.00 O ATOM 1690 CB GLU A 108 2.422 7.403 7.816 1.00 0.00 C ATOM 1691 CG GLU A 108 2.315 8.550 8.857 1.00 0.00 C ATOM 1692 CD GLU A 108 1.196 8.276 9.880 1.00 0.00 C ATOM 1693 OE1 GLU A 108 0.888 7.115 10.120 1.00 0.00 O ATOM 1694 OE2 GLU A 108 0.665 9.239 10.409 1.00 0.00 O ATOM 0 H GLU A 108 3.262 6.335 10.364 1.00 0.00 H new ATOM 0 HA GLU A 108 3.492 5.538 7.534 1.00 0.00 H new ATOM 0 HB2 GLU A 108 2.708 7.812 6.847 1.00 0.00 H new ATOM 0 HB3 GLU A 108 1.448 6.930 7.688 1.00 0.00 H new ATOM 0 HG2 GLU A 108 3.266 8.662 9.377 1.00 0.00 H new ATOM 0 HG3 GLU A 108 2.119 9.492 8.344 1.00 0.00 H new ATOM 1701 N THR A 109 5.559 6.938 7.178 1.00 0.00 N ATOM 1702 CA THR A 109 6.907 7.511 7.061 1.00 0.00 C ATOM 1703 C THR A 109 7.184 7.937 5.607 1.00 0.00 C ATOM 1704 O THR A 109 6.651 7.335 4.679 1.00 0.00 O ATOM 1705 CB THR A 109 7.957 6.487 7.540 1.00 0.00 C ATOM 1706 OG1 THR A 109 9.251 7.070 7.489 1.00 0.00 O ATOM 1707 CG2 THR A 109 7.917 5.228 6.658 1.00 0.00 C ATOM 0 H THR A 109 5.212 6.514 6.318 1.00 0.00 H new ATOM 0 HA THR A 109 6.972 8.397 7.693 1.00 0.00 H new ATOM 0 HB THR A 109 7.729 6.202 8.567 1.00 0.00 H new ATOM 0 HG1 THR A 109 9.916 6.418 7.795 1.00 0.00 H new ATOM 0 HG21 THR A 109 8.663 4.515 7.008 1.00 0.00 H new ATOM 0 HG22 THR A 109 6.927 4.775 6.715 1.00 0.00 H new ATOM 0 HG23 THR A 109 8.132 5.501 5.625 1.00 0.00 H new ATOM 1715 N SER A 110 7.999 8.989 5.423 1.00 0.00 N ATOM 1716 CA SER A 110 8.298 9.503 4.076 1.00 0.00 C ATOM 1717 C SER A 110 9.414 8.711 3.382 1.00 0.00 C ATOM 1718 O SER A 110 10.252 8.092 4.028 1.00 0.00 O ATOM 1719 CB SER A 110 8.689 10.976 4.153 1.00 0.00 C ATOM 1720 OG SER A 110 9.947 11.095 4.803 1.00 0.00 O ATOM 0 H SER A 110 8.458 9.495 6.180 1.00 0.00 H new ATOM 0 HA SER A 110 7.392 9.387 3.481 1.00 0.00 H new ATOM 0 HB2 SER A 110 8.743 11.403 3.151 1.00 0.00 H new ATOM 0 HB3 SER A 110 7.930 11.537 4.698 1.00 0.00 H new ATOM 0 HG SER A 110 10.202 12.040 4.852 1.00 0.00 H new ATOM 1726 N VAL A 111 9.424 8.789 2.049 1.00 0.00 N ATOM 1727 CA VAL A 111 10.433 8.126 1.209 1.00 0.00 C ATOM 1728 C VAL A 111 11.060 9.169 0.274 1.00 0.00 C ATOM 1729 O VAL A 111 10.347 10.036 -0.249 1.00 0.00 O ATOM 1730 CB VAL A 111 9.780 6.979 0.389 1.00 0.00 C ATOM 1731 CG1 VAL A 111 10.833 6.281 -0.492 1.00 0.00 C ATOM 1732 CG2 VAL A 111 9.163 5.945 1.341 1.00 0.00 C ATOM 0 H VAL A 111 8.731 9.315 1.517 1.00 0.00 H new ATOM 0 HA VAL A 111 11.209 7.690 1.838 1.00 0.00 H new ATOM 0 HB VAL A 111 9.005 7.408 -0.247 1.00 0.00 H new ATOM 0 HG11 VAL A 111 10.359 5.480 -1.060 1.00 0.00 H new ATOM 0 HG12 VAL A 111 11.269 7.005 -1.180 1.00 0.00 H new ATOM 0 HG13 VAL A 111 11.617 5.863 0.140 1.00 0.00 H new ATOM 0 HG21 VAL A 111 8.707 5.143 0.761 1.00 0.00 H new ATOM 0 HG22 VAL A 111 9.941 5.531 1.983 1.00 0.00 H new ATOM 0 HG23 VAL A 111 8.403 6.425 1.957 1.00 0.00 H new ATOM 1742 N LEU A 112 12.398 9.123 0.110 1.00 0.00 N ATOM 1743 CA LEU A 112 13.092 10.125 -0.714 1.00 0.00 C ATOM 1744 C LEU A 112 13.112 9.726 -2.190 1.00 0.00 C ATOM 1745 O LEU A 112 13.679 8.702 -2.556 1.00 0.00 O ATOM 1746 CB LEU A 112 14.540 10.323 -0.211 1.00 0.00 C ATOM 1747 CG LEU A 112 14.584 11.388 0.904 1.00 0.00 C ATOM 1748 CD1 LEU A 112 14.040 10.796 2.206 1.00 0.00 C ATOM 1749 CD2 LEU A 112 16.030 11.844 1.119 1.00 0.00 C ATOM 0 H LEU A 112 13.005 8.418 0.528 1.00 0.00 H new ATOM 0 HA LEU A 112 12.542 11.061 -0.622 1.00 0.00 H new ATOM 0 HB2 LEU A 112 14.933 9.378 0.165 1.00 0.00 H new ATOM 0 HB3 LEU A 112 15.180 10.628 -1.039 1.00 0.00 H new ATOM 0 HG LEU A 112 13.971 12.240 0.610 1.00 0.00 H new ATOM 0 HD11 LEU A 112 14.073 11.552 2.991 1.00 0.00 H new ATOM 0 HD12 LEU A 112 13.010 10.473 2.056 1.00 0.00 H new ATOM 0 HD13 LEU A 112 14.649 9.941 2.500 1.00 0.00 H new ATOM 0 HD21 LEU A 112 16.061 12.597 1.907 1.00 0.00 H new ATOM 0 HD22 LEU A 112 16.642 10.990 1.409 1.00 0.00 H new ATOM 0 HD23 LEU A 112 16.418 12.271 0.194 1.00 0.00 H new ATOM 1761 N LEU A 113 12.492 10.560 -3.032 1.00 0.00 N ATOM 1762 CA LEU A 113 12.477 10.332 -4.490 1.00 0.00 C ATOM 1763 C LEU A 113 12.727 11.620 -5.255 1.00 0.00 C ATOM 1764 O LEU A 113 11.958 12.577 -5.137 1.00 0.00 O ATOM 1765 CB LEU A 113 11.165 9.659 -5.000 1.00 0.00 C ATOM 1766 CG LEU A 113 9.893 10.101 -4.173 1.00 0.00 C ATOM 1767 CD1 LEU A 113 9.039 11.098 -4.987 1.00 0.00 C ATOM 1768 CD2 LEU A 113 9.044 8.855 -3.801 1.00 0.00 C ATOM 0 H LEU A 113 11.994 11.399 -2.734 1.00 0.00 H new ATOM 0 HA LEU A 113 13.291 9.634 -4.682 1.00 0.00 H new ATOM 0 HB2 LEU A 113 11.016 9.911 -6.050 1.00 0.00 H new ATOM 0 HB3 LEU A 113 11.271 8.576 -4.944 1.00 0.00 H new ATOM 0 HG LEU A 113 10.225 10.593 -3.259 1.00 0.00 H new ATOM 0 HD11 LEU A 113 8.167 11.392 -4.403 1.00 0.00 H new ATOM 0 HD12 LEU A 113 9.634 11.981 -5.220 1.00 0.00 H new ATOM 0 HD13 LEU A 113 8.712 10.626 -5.913 1.00 0.00 H new ATOM 0 HD21 LEU A 113 8.169 9.168 -3.231 1.00 0.00 H new ATOM 0 HD22 LEU A 113 8.722 8.349 -4.711 1.00 0.00 H new ATOM 0 HD23 LEU A 113 9.644 8.172 -3.199 1.00 0.00 H new ATOM 1780 N GLN A 114 13.763 11.610 -6.092 1.00 0.00 N ATOM 1781 CA GLN A 114 14.087 12.762 -6.935 1.00 0.00 C ATOM 1782 C GLN A 114 14.121 12.314 -8.383 1.00 0.00 C ATOM 1783 O GLN A 114 14.535 11.199 -8.664 1.00 0.00 O ATOM 1784 CB GLN A 114 15.458 13.363 -6.536 1.00 0.00 C ATOM 1785 CG GLN A 114 15.472 13.753 -5.034 1.00 0.00 C ATOM 1786 CD GLN A 114 14.343 14.733 -4.709 1.00 0.00 C ATOM 1787 OE1 GLN A 114 14.311 15.845 -5.233 1.00 0.00 O ATOM 1788 NE2 GLN A 114 13.406 14.365 -3.879 1.00 0.00 N ATOM 0 H GLN A 114 14.394 10.816 -6.205 1.00 0.00 H new ATOM 0 HA GLN A 114 13.327 13.532 -6.800 1.00 0.00 H new ATOM 0 HB2 GLN A 114 16.249 12.640 -6.736 1.00 0.00 H new ATOM 0 HB3 GLN A 114 15.667 14.242 -7.147 1.00 0.00 H new ATOM 0 HG2 GLN A 114 15.368 12.857 -4.422 1.00 0.00 H new ATOM 0 HG3 GLN A 114 16.432 14.203 -4.781 1.00 0.00 H new ATOM 0 HE21 GLN A 114 13.440 13.441 -3.449 1.00 0.00 H new ATOM 0 HE22 GLN A 114 12.639 15.001 -3.660 1.00 0.00 H new ATOM 1797 N VAL A 115 13.642 13.163 -9.299 1.00 0.00 N ATOM 1798 CA VAL A 115 13.600 12.793 -10.725 1.00 0.00 C ATOM 1799 C VAL A 115 14.626 13.579 -11.526 1.00 0.00 C ATOM 1800 O VAL A 115 14.733 14.802 -11.385 1.00 0.00 O ATOM 1801 CB VAL A 115 12.182 13.023 -11.306 1.00 0.00 C ATOM 1802 CG1 VAL A 115 11.169 12.153 -10.546 1.00 0.00 C ATOM 1803 CG2 VAL A 115 11.784 14.521 -11.195 1.00 0.00 C ATOM 0 H VAL A 115 13.283 14.094 -9.088 1.00 0.00 H new ATOM 0 HA VAL A 115 13.845 11.734 -10.801 1.00 0.00 H new ATOM 0 HB VAL A 115 12.182 12.744 -12.360 1.00 0.00 H new ATOM 0 HG11 VAL A 115 10.172 12.315 -10.955 1.00 0.00 H new ATOM 0 HG12 VAL A 115 11.439 11.102 -10.653 1.00 0.00 H new ATOM 0 HG13 VAL A 115 11.177 12.424 -9.490 1.00 0.00 H new ATOM 0 HG21 VAL A 115 10.785 14.664 -11.608 1.00 0.00 H new ATOM 0 HG22 VAL A 115 11.790 14.822 -10.148 1.00 0.00 H new ATOM 0 HG23 VAL A 115 12.497 15.129 -11.752 1.00 0.00 H new ATOM 1813 N ALA A 116 15.357 12.867 -12.391 1.00 0.00 N ATOM 1814 CA ALA A 116 16.355 13.502 -13.244 1.00 0.00 C ATOM 1815 C ALA A 116 15.666 14.375 -14.287 1.00 0.00 C ATOM 1816 O ALA A 116 14.638 13.984 -14.852 1.00 0.00 O ATOM 1817 CB ALA A 116 17.212 12.441 -13.938 1.00 0.00 C ATOM 0 H ALA A 116 15.274 11.858 -12.515 1.00 0.00 H new ATOM 0 HA ALA A 116 17.000 14.125 -12.625 1.00 0.00 H new ATOM 0 HB1 ALA A 116 17.953 12.929 -14.572 1.00 0.00 H new ATOM 0 HB2 ALA A 116 17.719 11.835 -13.187 1.00 0.00 H new ATOM 0 HB3 ALA A 116 16.575 11.802 -14.550 1.00 0.00 H new ATOM 1823 N ALA A 117 16.227 15.566 -14.527 1.00 0.00 N ATOM 1824 CA ALA A 117 15.655 16.509 -15.490 1.00 0.00 C ATOM 1825 C ALA A 117 16.701 16.943 -16.513 1.00 0.00 C ATOM 1826 O ALA A 117 16.569 16.561 -17.665 1.00 0.00 O ATOM 1827 CB ALA A 117 15.104 17.737 -14.759 1.00 0.00 C ATOM 1828 OXT ALA A 117 17.617 17.650 -16.130 1.00 0.00 O ATOM 0 H ALA A 117 17.075 15.898 -14.067 1.00 0.00 H new ATOM 0 HA ALA A 117 14.843 16.008 -16.017 1.00 0.00 H new ATOM 0 HB1 ALA A 117 14.681 18.432 -15.484 1.00 0.00 H new ATOM 0 HB2 ALA A 117 14.329 17.426 -14.059 1.00 0.00 H new ATOM 0 HB3 ALA A 117 15.910 18.228 -14.213 1.00 0.00 H new