USER MOD reduce.3.24.130724 H: found=0, std=0, add=530, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 526 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 33 THR OG1 : rot 137:sc= 1.84 USER MOD Set 1.2: A 36 GLN : amide:sc= -7.21! C(o=-5.4!,f=-17!) USER MOD Set 2.1: A 27 THR OG1 : rot -19:sc= -0.168 USER MOD Set 2.2: A 28 THR OG1 : rot 96:sc= 1.24 USER MOD Set 3.1: A 8 CYS SG : rot 170:sc= -0.0961 USER MOD Set 3.2: A 65 HIS : no HD1:sc= 0 X(o=-0.096,f=-0.096) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 19 CYS SG : rot 71:sc= 0.0583 USER MOD Single : A 20 SER OG : rot 51:sc= 1.29 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 CYS SG : rot 156:sc= 1.25 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -0.115 K(o=-0.12,f=-2.2!) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 HIS : no HD1:sc= -4.29! K(o=-4.3!,f=-2.9) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 MET CE :methyl 162:sc= -2.89! (180deg=-3.61) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 HIS : no HE2:sc= -3.19 K(o=-3.2,f=-5.8!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= 0 K(o=0,f=-1.9!) USER MOD Single : A 69 HIS : no HD1:sc= -0.331 X(o=-0.33,f=0.057) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 5 -13.357 17.460 -3.275 1.00 0.00 N ATOM 2 CA PRO A 5 -13.318 16.165 -2.544 1.00 0.00 C ATOM 3 C PRO A 5 -12.816 15.049 -3.465 1.00 0.00 C ATOM 4 O PRO A 5 -13.404 14.770 -4.493 1.00 0.00 O ATOM 5 CB PRO A 5 -14.770 15.925 -2.139 1.00 0.00 C ATOM 6 CG PRO A 5 -15.574 16.695 -3.132 1.00 0.00 C ATOM 7 CD PRO A 5 -14.741 17.879 -3.540 1.00 0.00 C ATOM 0 HA PRO A 5 -12.645 16.181 -1.687 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -15.018 14.864 -2.166 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -14.960 16.271 -1.123 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -15.816 16.077 -3.996 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -16.519 17.019 -2.696 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -14.887 18.125 -4.592 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -15.004 18.767 -2.966 1.00 0.00 H new ATOM 15 N THR A 6 -11.732 14.414 -3.100 1.00 0.00 N ATOM 16 CA THR A 6 -11.178 13.315 -3.945 1.00 0.00 C ATOM 17 C THR A 6 -10.809 12.116 -3.068 1.00 0.00 C ATOM 18 O THR A 6 -10.632 12.243 -1.872 1.00 0.00 O ATOM 19 CB THR A 6 -9.931 13.909 -4.600 1.00 0.00 C ATOM 20 OG1 THR A 6 -9.031 14.345 -3.591 1.00 0.00 O ATOM 21 CG2 THR A 6 -10.327 15.093 -5.483 1.00 0.00 C ATOM 0 H THR A 6 -11.205 14.611 -2.249 1.00 0.00 H new ATOM 0 HA THR A 6 -11.893 12.959 -4.686 1.00 0.00 H new ATOM 0 HB THR A 6 -9.448 13.150 -5.215 1.00 0.00 H new ATOM 0 HG1 THR A 6 -8.230 14.725 -4.009 1.00 0.00 H new ATOM 0 HG21 THR A 6 -9.436 15.514 -5.948 1.00 0.00 H new ATOM 0 HG22 THR A 6 -11.015 14.755 -6.258 1.00 0.00 H new ATOM 0 HG23 THR A 6 -10.812 15.855 -4.873 1.00 0.00 H new ATOM 29 N ASP A 7 -10.694 10.953 -3.658 1.00 0.00 N ATOM 30 CA ASP A 7 -10.338 9.739 -2.866 1.00 0.00 C ATOM 31 C ASP A 7 -9.033 9.134 -3.384 1.00 0.00 C ATOM 32 O ASP A 7 -8.821 9.023 -4.577 1.00 0.00 O ATOM 33 CB ASP A 7 -11.500 8.771 -3.087 1.00 0.00 C ATOM 34 CG ASP A 7 -12.755 9.287 -2.374 1.00 0.00 C ATOM 35 OD1 ASP A 7 -12.611 10.008 -1.399 1.00 0.00 O ATOM 36 OD2 ASP A 7 -13.841 8.948 -2.814 1.00 0.00 O ATOM 0 H ASP A 7 -10.832 10.793 -4.656 1.00 0.00 H new ATOM 0 HA ASP A 7 -10.187 9.964 -1.810 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -11.696 8.663 -4.154 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -11.238 7.783 -2.709 1.00 0.00 H new ATOM 41 N CYS A 8 -8.160 8.744 -2.492 1.00 0.00 N ATOM 42 CA CYS A 8 -6.863 8.141 -2.917 1.00 0.00 C ATOM 43 C CYS A 8 -6.799 6.682 -2.462 1.00 0.00 C ATOM 44 O CYS A 8 -5.777 6.207 -2.007 1.00 0.00 O ATOM 45 CB CYS A 8 -5.789 8.975 -2.215 1.00 0.00 C ATOM 46 SG CYS A 8 -4.342 9.135 -3.291 1.00 0.00 S ATOM 0 H CYS A 8 -8.291 8.818 -1.483 1.00 0.00 H new ATOM 0 HA CYS A 8 -6.732 8.146 -3.999 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -6.183 9.961 -1.970 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -5.505 8.503 -1.275 1.00 0.00 H new ATOM 0 HG CYS A 8 -3.524 10.012 -2.790 1.00 0.00 H new ATOM 52 N SER A 9 -7.901 5.983 -2.547 1.00 0.00 N ATOM 53 CA SER A 9 -7.939 4.561 -2.082 1.00 0.00 C ATOM 54 C SER A 9 -6.869 3.711 -2.775 1.00 0.00 C ATOM 55 O SER A 9 -6.141 4.172 -3.633 1.00 0.00 O ATOM 56 CB SER A 9 -9.336 4.058 -2.452 1.00 0.00 C ATOM 57 OG SER A 9 -9.482 4.073 -3.866 1.00 0.00 O ATOM 0 H SER A 9 -8.782 6.337 -2.920 1.00 0.00 H new ATOM 0 HA SER A 9 -7.738 4.490 -1.013 1.00 0.00 H new ATOM 0 HB2 SER A 9 -9.484 3.048 -2.070 1.00 0.00 H new ATOM 0 HB3 SER A 9 -10.096 4.688 -1.990 1.00 0.00 H new ATOM 0 HG SER A 9 -10.375 3.750 -4.106 1.00 0.00 H new ATOM 63 N ILE A 10 -6.762 2.476 -2.369 1.00 0.00 N ATOM 64 CA ILE A 10 -5.730 1.557 -2.944 1.00 0.00 C ATOM 65 C ILE A 10 -6.027 1.233 -4.414 1.00 0.00 C ATOM 66 O ILE A 10 -5.122 1.115 -5.211 1.00 0.00 O ATOM 67 CB ILE A 10 -5.799 0.293 -2.075 1.00 0.00 C ATOM 68 CG1 ILE A 10 -5.434 0.657 -0.633 1.00 0.00 C ATOM 69 CG2 ILE A 10 -4.811 -0.759 -2.592 1.00 0.00 C ATOM 70 CD1 ILE A 10 -5.737 -0.526 0.288 1.00 0.00 C ATOM 0 H ILE A 10 -7.353 2.055 -1.652 1.00 0.00 H new ATOM 0 HA ILE A 10 -4.737 2.007 -2.935 1.00 0.00 H new ATOM 0 HB ILE A 10 -6.809 -0.115 -2.117 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -4.378 0.919 -0.570 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -5.999 1.533 -0.314 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -4.869 -1.651 -1.968 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -5.062 -1.019 -3.620 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -3.799 -0.356 -2.556 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -5.476 -0.265 1.314 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -6.799 -0.767 0.233 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -5.152 -1.391 -0.026 1.00 0.00 H new ATOM 82 N VAL A 11 -7.276 1.059 -4.776 1.00 0.00 N ATOM 83 CA VAL A 11 -7.611 0.710 -6.201 1.00 0.00 C ATOM 84 C VAL A 11 -6.931 1.682 -7.186 1.00 0.00 C ATOM 85 O VAL A 11 -6.294 1.263 -8.133 1.00 0.00 O ATOM 86 CB VAL A 11 -9.141 0.833 -6.284 1.00 0.00 C ATOM 87 CG1 VAL A 11 -9.618 0.601 -7.724 1.00 0.00 C ATOM 88 CG2 VAL A 11 -9.785 -0.212 -5.370 1.00 0.00 C ATOM 0 H VAL A 11 -8.078 1.142 -4.151 1.00 0.00 H new ATOM 0 HA VAL A 11 -7.260 -0.286 -6.470 1.00 0.00 H new ATOM 0 HB VAL A 11 -9.430 1.836 -5.969 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -10.703 0.691 -7.767 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -9.166 1.344 -8.381 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -9.324 -0.397 -8.048 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -10.870 -0.126 -5.427 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -9.482 -1.210 -5.688 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -9.462 -0.045 -4.342 1.00 0.00 H new ATOM 98 N SER A 12 -7.071 2.966 -6.977 1.00 0.00 N ATOM 99 CA SER A 12 -6.440 3.955 -7.912 1.00 0.00 C ATOM 100 C SER A 12 -4.911 3.786 -7.959 1.00 0.00 C ATOM 101 O SER A 12 -4.304 3.894 -9.007 1.00 0.00 O ATOM 102 CB SER A 12 -6.809 5.330 -7.351 1.00 0.00 C ATOM 103 OG SER A 12 -8.213 5.521 -7.467 1.00 0.00 O ATOM 0 H SER A 12 -7.593 3.375 -6.202 1.00 0.00 H new ATOM 0 HA SER A 12 -6.793 3.817 -8.934 1.00 0.00 H new ATOM 0 HB2 SER A 12 -6.505 5.403 -6.307 1.00 0.00 H new ATOM 0 HB3 SER A 12 -6.278 6.112 -7.893 1.00 0.00 H new ATOM 0 HG SER A 12 -8.454 6.400 -7.107 1.00 0.00 H new ATOM 109 N PHE A 13 -4.288 3.537 -6.833 1.00 0.00 N ATOM 110 CA PHE A 13 -2.794 3.378 -6.810 1.00 0.00 C ATOM 111 C PHE A 13 -2.344 2.215 -7.708 1.00 0.00 C ATOM 112 O PHE A 13 -1.451 2.362 -8.521 1.00 0.00 O ATOM 113 CB PHE A 13 -2.448 3.097 -5.339 1.00 0.00 C ATOM 114 CG PHE A 13 -0.957 2.880 -5.183 1.00 0.00 C ATOM 115 CD1 PHE A 13 -0.066 3.937 -5.403 1.00 0.00 C ATOM 116 CD2 PHE A 13 -0.470 1.618 -4.820 1.00 0.00 C ATOM 117 CE1 PHE A 13 1.312 3.733 -5.259 1.00 0.00 C ATOM 118 CE2 PHE A 13 0.908 1.414 -4.676 1.00 0.00 C ATOM 119 CZ PHE A 13 1.799 2.471 -4.897 1.00 0.00 C ATOM 0 H PHE A 13 -4.746 3.436 -5.927 1.00 0.00 H new ATOM 0 HA PHE A 13 -2.287 4.265 -7.190 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -2.768 3.933 -4.717 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -2.989 2.216 -4.993 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -0.441 4.910 -5.684 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -1.157 0.802 -4.651 1.00 0.00 H new ATOM 0 HE1 PHE A 13 1.999 4.549 -5.427 1.00 0.00 H new ATOM 0 HE2 PHE A 13 1.283 0.441 -4.394 1.00 0.00 H new ATOM 0 HZ PHE A 13 2.862 2.313 -4.788 1.00 0.00 H new ATOM 129 N LEU A 14 -2.946 1.066 -7.555 1.00 0.00 N ATOM 130 CA LEU A 14 -2.549 -0.115 -8.386 1.00 0.00 C ATOM 131 C LEU A 14 -2.763 0.180 -9.874 1.00 0.00 C ATOM 132 O LEU A 14 -1.960 -0.189 -10.710 1.00 0.00 O ATOM 133 CB LEU A 14 -3.466 -1.253 -7.926 1.00 0.00 C ATOM 134 CG LEU A 14 -3.195 -1.582 -6.456 1.00 0.00 C ATOM 135 CD1 LEU A 14 -4.277 -2.537 -5.944 1.00 0.00 C ATOM 136 CD2 LEU A 14 -1.825 -2.254 -6.317 1.00 0.00 C ATOM 0 H LEU A 14 -3.698 0.891 -6.889 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.495 -0.365 -8.264 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.509 -0.966 -8.057 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.299 -2.137 -8.542 1.00 0.00 H new ATOM 0 HG LEU A 14 -3.206 -0.661 -5.874 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.087 -2.774 -4.897 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -5.254 -2.063 -6.038 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.260 -3.454 -6.532 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.638 -2.486 -5.268 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.811 -3.175 -6.900 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.050 -1.580 -6.683 1.00 0.00 H new ATOM 148 N ALA A 15 -3.840 0.842 -10.204 1.00 0.00 N ATOM 149 CA ALA A 15 -4.122 1.167 -11.638 1.00 0.00 C ATOM 150 C ALA A 15 -2.995 2.024 -12.227 1.00 0.00 C ATOM 151 O ALA A 15 -2.509 1.767 -13.312 1.00 0.00 O ATOM 152 CB ALA A 15 -5.435 1.952 -11.621 1.00 0.00 C ATOM 0 H ALA A 15 -4.541 1.174 -9.541 1.00 0.00 H new ATOM 0 HA ALA A 15 -4.190 0.269 -12.252 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -5.708 2.226 -12.640 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -6.222 1.335 -11.188 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.311 2.855 -11.023 1.00 0.00 H new ATOM 158 N ARG A 16 -2.596 3.052 -11.523 1.00 0.00 N ATOM 159 CA ARG A 16 -1.518 3.953 -12.039 1.00 0.00 C ATOM 160 C ARG A 16 -0.224 3.167 -12.266 1.00 0.00 C ATOM 161 O ARG A 16 0.579 3.515 -13.112 1.00 0.00 O ATOM 162 CB ARG A 16 -1.317 5.008 -10.952 1.00 0.00 C ATOM 163 CG ARG A 16 -2.548 5.914 -10.897 1.00 0.00 C ATOM 164 CD ARG A 16 -2.344 7.001 -9.837 1.00 0.00 C ATOM 165 NE ARG A 16 -3.673 7.664 -9.694 1.00 0.00 N ATOM 166 CZ ARG A 16 -3.818 8.667 -8.872 1.00 0.00 C ATOM 167 NH1 ARG A 16 -3.207 9.797 -9.104 1.00 0.00 N ATOM 168 NH2 ARG A 16 -4.577 8.542 -7.818 1.00 0.00 N ATOM 0 H ARG A 16 -2.971 3.308 -10.610 1.00 0.00 H new ATOM 0 HA ARG A 16 -1.788 4.401 -12.995 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -1.161 4.527 -9.986 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -0.425 5.598 -11.162 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -2.719 6.371 -11.872 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -3.434 5.325 -10.661 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -2.015 6.571 -8.891 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -1.580 7.714 -10.146 1.00 0.00 H new ATOM 0 HE ARG A 16 -4.469 7.333 -10.239 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -2.615 9.897 -9.929 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -3.321 10.580 -8.461 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -5.057 7.660 -7.637 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -4.690 9.326 -7.175 1.00 0.00 H new ATOM 182 N LEU A 17 -0.022 2.105 -11.531 1.00 0.00 N ATOM 183 CA LEU A 17 1.211 1.283 -11.714 1.00 0.00 C ATOM 184 C LEU A 17 0.919 0.097 -12.654 1.00 0.00 C ATOM 185 O LEU A 17 1.704 -0.824 -12.767 1.00 0.00 O ATOM 186 CB LEU A 17 1.552 0.791 -10.302 1.00 0.00 C ATOM 187 CG LEU A 17 2.957 0.178 -10.275 1.00 0.00 C ATOM 188 CD1 LEU A 17 4.003 1.287 -10.400 1.00 0.00 C ATOM 189 CD2 LEU A 17 3.161 -0.564 -8.952 1.00 0.00 C ATOM 0 H LEU A 17 -0.660 1.770 -10.809 1.00 0.00 H new ATOM 0 HA LEU A 17 2.032 1.842 -12.163 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.497 1.621 -9.598 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.819 0.051 -9.981 1.00 0.00 H new ATOM 0 HG LEU A 17 3.065 -0.518 -11.107 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.001 0.850 -10.381 1.00 0.00 H new ATOM 0 HD12 LEU A 17 3.858 1.819 -11.340 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.896 1.984 -9.568 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.159 -1.001 -8.930 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.052 0.135 -8.122 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.417 -1.355 -8.860 1.00 0.00 H new ATOM 201 N GLY A 18 -0.207 0.117 -13.337 1.00 0.00 N ATOM 202 CA GLY A 18 -0.542 -1.003 -14.268 1.00 0.00 C ATOM 203 C GLY A 18 -0.787 -2.280 -13.463 1.00 0.00 C ATOM 204 O GLY A 18 -0.551 -3.375 -13.938 1.00 0.00 O ATOM 0 H GLY A 18 -0.903 0.861 -13.287 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -1.428 -0.752 -14.851 1.00 0.00 H new ATOM 0 HA3 GLY A 18 0.272 -1.157 -14.976 1.00 0.00 H new ATOM 208 N CYS A 19 -1.247 -2.148 -12.244 1.00 0.00 N ATOM 209 CA CYS A 19 -1.498 -3.354 -11.399 1.00 0.00 C ATOM 210 C CYS A 19 -2.953 -3.382 -10.923 1.00 0.00 C ATOM 211 O CYS A 19 -3.567 -2.353 -10.715 1.00 0.00 O ATOM 212 CB CYS A 19 -0.548 -3.201 -10.211 1.00 0.00 C ATOM 213 SG CYS A 19 1.133 -3.634 -10.723 1.00 0.00 S ATOM 0 H CYS A 19 -1.460 -1.256 -11.798 1.00 0.00 H new ATOM 0 HA CYS A 19 -1.330 -4.283 -11.944 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -0.574 -2.176 -9.840 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -0.867 -3.845 -9.391 1.00 0.00 H new ATOM 0 HG CYS A 19 1.593 -2.717 -11.521 1.00 0.00 H new ATOM 219 N SER A 20 -3.508 -4.559 -10.752 1.00 0.00 N ATOM 220 CA SER A 20 -4.926 -4.670 -10.287 1.00 0.00 C ATOM 221 C SER A 20 -5.264 -6.128 -9.954 1.00 0.00 C ATOM 222 O SER A 20 -6.388 -6.563 -10.120 1.00 0.00 O ATOM 223 CB SER A 20 -5.772 -4.188 -11.465 1.00 0.00 C ATOM 224 OG SER A 20 -6.089 -2.814 -11.285 1.00 0.00 O ATOM 0 H SER A 20 -3.038 -5.449 -10.915 1.00 0.00 H new ATOM 0 HA SER A 20 -5.107 -4.085 -9.386 1.00 0.00 H new ATOM 0 HB2 SER A 20 -5.228 -4.328 -12.399 1.00 0.00 H new ATOM 0 HB3 SER A 20 -6.686 -4.778 -11.536 1.00 0.00 H new ATOM 0 HG SER A 20 -5.269 -2.310 -11.102 1.00 0.00 H new ATOM 230 N SER A 21 -4.299 -6.887 -9.493 1.00 0.00 N ATOM 231 CA SER A 21 -4.562 -8.322 -9.158 1.00 0.00 C ATOM 232 C SER A 21 -4.352 -8.589 -7.662 1.00 0.00 C ATOM 233 O SER A 21 -4.840 -9.569 -7.131 1.00 0.00 O ATOM 234 CB SER A 21 -3.551 -9.112 -9.988 1.00 0.00 C ATOM 235 OG SER A 21 -4.150 -9.494 -11.219 1.00 0.00 O ATOM 0 H SER A 21 -3.341 -6.575 -9.334 1.00 0.00 H new ATOM 0 HA SER A 21 -5.591 -8.605 -9.378 1.00 0.00 H new ATOM 0 HB2 SER A 21 -2.664 -8.507 -10.174 1.00 0.00 H new ATOM 0 HB3 SER A 21 -3.224 -9.996 -9.440 1.00 0.00 H new ATOM 0 HG SER A 21 -3.503 -9.999 -11.754 1.00 0.00 H new ATOM 241 N CYS A 22 -3.631 -7.734 -6.979 1.00 0.00 N ATOM 242 CA CYS A 22 -3.390 -7.949 -5.519 1.00 0.00 C ATOM 243 C CYS A 22 -4.384 -7.141 -4.664 1.00 0.00 C ATOM 244 O CYS A 22 -4.309 -7.152 -3.450 1.00 0.00 O ATOM 245 CB CYS A 22 -1.962 -7.456 -5.287 1.00 0.00 C ATOM 246 SG CYS A 22 -0.806 -8.509 -6.200 1.00 0.00 S ATOM 0 H CYS A 22 -3.199 -6.897 -7.370 1.00 0.00 H new ATOM 0 HA CYS A 22 -3.525 -8.993 -5.235 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -1.865 -6.421 -5.615 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -1.727 -7.476 -4.223 1.00 0.00 H new ATOM 0 HG CYS A 22 0.287 -7.848 -6.439 1.00 0.00 H new ATOM 252 N LEU A 23 -5.291 -6.422 -5.284 1.00 0.00 N ATOM 253 CA LEU A 23 -6.262 -5.589 -4.504 1.00 0.00 C ATOM 254 C LEU A 23 -7.105 -6.461 -3.562 1.00 0.00 C ATOM 255 O LEU A 23 -7.397 -6.071 -2.447 1.00 0.00 O ATOM 256 CB LEU A 23 -7.162 -4.938 -5.564 1.00 0.00 C ATOM 257 CG LEU A 23 -8.212 -4.047 -4.890 1.00 0.00 C ATOM 258 CD1 LEU A 23 -7.538 -2.793 -4.328 1.00 0.00 C ATOM 259 CD2 LEU A 23 -9.271 -3.642 -5.917 1.00 0.00 C ATOM 0 H LEU A 23 -5.400 -6.376 -6.297 1.00 0.00 H new ATOM 0 HA LEU A 23 -5.752 -4.856 -3.878 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.558 -4.345 -6.251 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -7.655 -5.709 -6.157 1.00 0.00 H new ATOM 0 HG LEU A 23 -8.685 -4.597 -4.077 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -8.286 -2.161 -3.849 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.785 -3.082 -3.595 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -7.062 -2.241 -5.139 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -10.018 -3.008 -5.439 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -8.797 -3.093 -6.731 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -9.753 -4.535 -6.314 1.00 0.00 H new ATOM 271 N ASP A 24 -7.523 -7.616 -4.010 1.00 0.00 N ATOM 272 CA ASP A 24 -8.382 -8.500 -3.154 1.00 0.00 C ATOM 273 C ASP A 24 -7.729 -8.786 -1.793 1.00 0.00 C ATOM 274 O ASP A 24 -8.411 -8.891 -0.788 1.00 0.00 O ATOM 275 CB ASP A 24 -8.535 -9.799 -3.954 1.00 0.00 C ATOM 276 CG ASP A 24 -9.413 -9.554 -5.186 1.00 0.00 C ATOM 277 OD1 ASP A 24 -10.223 -8.640 -5.148 1.00 0.00 O ATOM 278 OD2 ASP A 24 -9.260 -10.286 -6.150 1.00 0.00 O ATOM 0 H ASP A 24 -7.308 -7.990 -4.934 1.00 0.00 H new ATOM 0 HA ASP A 24 -9.339 -8.026 -2.934 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -7.555 -10.164 -4.262 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -8.980 -10.572 -3.327 1.00 0.00 H new ATOM 283 N TYR A 25 -6.428 -8.931 -1.747 1.00 0.00 N ATOM 284 CA TYR A 25 -5.754 -9.231 -0.442 1.00 0.00 C ATOM 285 C TYR A 25 -5.932 -8.076 0.553 1.00 0.00 C ATOM 286 O TYR A 25 -6.186 -8.298 1.723 1.00 0.00 O ATOM 287 CB TYR A 25 -4.274 -9.426 -0.783 1.00 0.00 C ATOM 288 CG TYR A 25 -4.124 -10.654 -1.646 1.00 0.00 C ATOM 289 CD1 TYR A 25 -4.087 -11.922 -1.058 1.00 0.00 C ATOM 290 CD2 TYR A 25 -4.020 -10.524 -3.034 1.00 0.00 C ATOM 291 CE1 TYR A 25 -3.949 -13.062 -1.859 1.00 0.00 C ATOM 292 CE2 TYR A 25 -3.882 -11.663 -3.837 1.00 0.00 C ATOM 293 CZ TYR A 25 -3.847 -12.932 -3.249 1.00 0.00 C ATOM 294 OH TYR A 25 -3.714 -14.056 -4.040 1.00 0.00 O ATOM 0 H TYR A 25 -5.805 -8.856 -2.551 1.00 0.00 H new ATOM 0 HA TYR A 25 -6.183 -10.113 0.034 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -3.890 -8.550 -1.306 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -3.689 -9.534 0.130 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -4.165 -12.022 0.015 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -4.046 -9.544 -3.488 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -3.921 -14.041 -1.405 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -3.803 -11.562 -4.909 1.00 0.00 H new ATOM 0 HH TYR A 25 -3.657 -13.789 -4.981 1.00 0.00 H new ATOM 304 N PHE A 26 -5.803 -6.848 0.105 1.00 0.00 N ATOM 305 CA PHE A 26 -5.966 -5.690 1.044 1.00 0.00 C ATOM 306 C PHE A 26 -7.411 -5.625 1.548 1.00 0.00 C ATOM 307 O PHE A 26 -7.667 -5.400 2.711 1.00 0.00 O ATOM 308 CB PHE A 26 -5.665 -4.440 0.213 1.00 0.00 C ATOM 309 CG PHE A 26 -4.210 -4.414 -0.189 1.00 0.00 C ATOM 310 CD1 PHE A 26 -3.260 -3.809 0.642 1.00 0.00 C ATOM 311 CD2 PHE A 26 -3.816 -4.983 -1.404 1.00 0.00 C ATOM 312 CE1 PHE A 26 -1.914 -3.774 0.256 1.00 0.00 C ATOM 313 CE2 PHE A 26 -2.471 -4.951 -1.790 1.00 0.00 C ATOM 314 CZ PHE A 26 -1.520 -4.347 -0.960 1.00 0.00 C ATOM 0 H PHE A 26 -5.594 -6.599 -0.862 1.00 0.00 H new ATOM 0 HA PHE A 26 -5.309 -5.779 1.909 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -6.295 -4.426 -0.676 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -5.906 -3.546 0.788 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -3.565 -3.369 1.580 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -4.550 -5.448 -2.045 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -1.180 -3.306 0.895 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -2.167 -5.392 -2.728 1.00 0.00 H new ATOM 0 HZ PHE A 26 -0.482 -4.323 -1.257 1.00 0.00 H new ATOM 324 N THR A 27 -8.345 -5.823 0.662 1.00 0.00 N ATOM 325 CA THR A 27 -9.784 -5.767 1.060 1.00 0.00 C ATOM 326 C THR A 27 -10.112 -6.894 2.041 1.00 0.00 C ATOM 327 O THR A 27 -10.844 -6.704 2.994 1.00 0.00 O ATOM 328 CB THR A 27 -10.570 -5.929 -0.242 1.00 0.00 C ATOM 329 OG1 THR A 27 -10.191 -7.141 -0.876 1.00 0.00 O ATOM 330 CG2 THR A 27 -10.273 -4.746 -1.166 1.00 0.00 C ATOM 0 H THR A 27 -8.177 -6.022 -0.324 1.00 0.00 H new ATOM 0 HA THR A 27 -10.033 -4.834 1.565 1.00 0.00 H new ATOM 0 HB THR A 27 -11.638 -5.956 -0.024 1.00 0.00 H new ATOM 0 HG1 THR A 27 -9.326 -7.437 -0.525 1.00 0.00 H new ATOM 0 HG21 THR A 27 -10.833 -4.860 -2.094 1.00 0.00 H new ATOM 0 HG22 THR A 27 -10.569 -3.818 -0.676 1.00 0.00 H new ATOM 0 HG23 THR A 27 -9.206 -4.716 -1.387 1.00 0.00 H new ATOM 338 N THR A 28 -9.573 -8.059 1.814 1.00 0.00 N ATOM 339 CA THR A 28 -9.844 -9.210 2.729 1.00 0.00 C ATOM 340 C THR A 28 -9.236 -8.970 4.120 1.00 0.00 C ATOM 341 O THR A 28 -9.599 -9.629 5.076 1.00 0.00 O ATOM 342 CB THR A 28 -9.189 -10.421 2.057 1.00 0.00 C ATOM 343 OG1 THR A 28 -9.728 -10.583 0.754 1.00 0.00 O ATOM 344 CG2 THR A 28 -9.457 -11.686 2.882 1.00 0.00 C ATOM 0 H THR A 28 -8.953 -8.267 1.031 1.00 0.00 H new ATOM 0 HA THR A 28 -10.913 -9.354 2.884 1.00 0.00 H new ATOM 0 HB THR A 28 -8.113 -10.258 1.993 1.00 0.00 H new ATOM 0 HG1 THR A 28 -9.139 -10.151 0.100 1.00 0.00 H new ATOM 0 HG21 THR A 28 -8.988 -12.542 2.398 1.00 0.00 H new ATOM 0 HG22 THR A 28 -9.042 -11.563 3.882 1.00 0.00 H new ATOM 0 HG23 THR A 28 -10.532 -11.853 2.953 1.00 0.00 H new ATOM 352 N GLN A 29 -8.290 -8.064 4.238 1.00 0.00 N ATOM 353 CA GLN A 29 -7.641 -7.828 5.568 1.00 0.00 C ATOM 354 C GLN A 29 -8.194 -6.577 6.275 1.00 0.00 C ATOM 355 O GLN A 29 -7.873 -6.328 7.423 1.00 0.00 O ATOM 356 CB GLN A 29 -6.163 -7.630 5.233 1.00 0.00 C ATOM 357 CG GLN A 29 -5.616 -8.879 4.530 1.00 0.00 C ATOM 358 CD GLN A 29 -5.324 -9.974 5.560 1.00 0.00 C ATOM 359 OE1 GLN A 29 -5.177 -9.698 6.735 1.00 0.00 O ATOM 360 NE2 GLN A 29 -5.231 -11.217 5.166 1.00 0.00 N ATOM 0 H GLN A 29 -7.942 -7.482 3.476 1.00 0.00 H new ATOM 0 HA GLN A 29 -7.826 -8.657 6.252 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -6.040 -6.758 4.591 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -5.597 -7.438 6.144 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -6.338 -9.240 3.798 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -4.706 -8.630 3.984 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -5.354 -11.450 4.181 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -5.035 -11.954 5.844 1.00 0.00 H new ATOM 369 N GLY A 30 -9.005 -5.787 5.613 1.00 0.00 N ATOM 370 CA GLY A 30 -9.553 -4.553 6.269 1.00 0.00 C ATOM 371 C GLY A 30 -8.762 -3.303 5.833 1.00 0.00 C ATOM 372 O GLY A 30 -9.059 -2.201 6.252 1.00 0.00 O ATOM 0 H GLY A 30 -9.311 -5.940 4.652 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -10.604 -4.433 6.007 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -9.504 -4.660 7.353 1.00 0.00 H new ATOM 376 N LEU A 31 -7.773 -3.467 4.987 1.00 0.00 N ATOM 377 CA LEU A 31 -6.979 -2.293 4.510 1.00 0.00 C ATOM 378 C LEU A 31 -7.530 -1.819 3.163 1.00 0.00 C ATOM 379 O LEU A 31 -7.434 -2.513 2.168 1.00 0.00 O ATOM 380 CB LEU A 31 -5.550 -2.822 4.364 1.00 0.00 C ATOM 381 CG LEU A 31 -4.847 -2.784 5.733 1.00 0.00 C ATOM 382 CD1 LEU A 31 -4.191 -4.138 6.018 1.00 0.00 C ATOM 383 CD2 LEU A 31 -3.768 -1.693 5.731 1.00 0.00 C ATOM 0 H LEU A 31 -7.482 -4.367 4.606 1.00 0.00 H new ATOM 0 HA LEU A 31 -7.023 -1.442 5.190 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.566 -3.842 3.979 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.999 -2.218 3.643 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.586 -2.567 6.504 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.695 -4.105 6.988 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.953 -4.917 6.026 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.457 -4.357 5.243 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.273 -1.669 6.702 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.034 -1.908 4.954 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.230 -0.725 5.535 1.00 0.00 H new ATOM 395 N THR A 32 -8.134 -0.655 3.132 1.00 0.00 N ATOM 396 CA THR A 32 -8.722 -0.150 1.853 1.00 0.00 C ATOM 397 C THR A 32 -8.314 1.302 1.551 1.00 0.00 C ATOM 398 O THR A 32 -8.984 1.974 0.789 1.00 0.00 O ATOM 399 CB THR A 32 -10.237 -0.238 2.058 1.00 0.00 C ATOM 400 OG1 THR A 32 -10.610 0.557 3.176 1.00 0.00 O ATOM 401 CG2 THR A 32 -10.640 -1.694 2.307 1.00 0.00 C ATOM 0 H THR A 32 -8.245 -0.035 3.935 1.00 0.00 H new ATOM 0 HA THR A 32 -8.368 -0.737 1.005 1.00 0.00 H new ATOM 0 HB THR A 32 -10.745 0.128 1.166 1.00 0.00 H new ATOM 0 HG1 THR A 32 -11.580 0.503 3.307 1.00 0.00 H new ATOM 0 HG21 THR A 32 -11.719 -1.753 2.453 1.00 0.00 H new ATOM 0 HG22 THR A 32 -10.356 -2.302 1.448 1.00 0.00 H new ATOM 0 HG23 THR A 32 -10.133 -2.065 3.198 1.00 0.00 H new ATOM 409 N THR A 33 -7.237 1.802 2.119 1.00 0.00 N ATOM 410 CA THR A 33 -6.837 3.214 1.821 1.00 0.00 C ATOM 411 C THR A 33 -5.317 3.323 1.671 1.00 0.00 C ATOM 412 O THR A 33 -4.570 2.573 2.265 1.00 0.00 O ATOM 413 CB THR A 33 -7.316 4.033 3.021 1.00 0.00 C ATOM 414 OG1 THR A 33 -6.676 3.564 4.198 1.00 0.00 O ATOM 415 CG2 THR A 33 -8.834 3.895 3.171 1.00 0.00 C ATOM 0 H THR A 33 -6.628 1.300 2.766 1.00 0.00 H new ATOM 0 HA THR A 33 -7.272 3.569 0.887 1.00 0.00 H new ATOM 0 HB THR A 33 -7.067 5.082 2.864 1.00 0.00 H new ATOM 0 HG1 THR A 33 -6.384 4.328 4.738 1.00 0.00 H new ATOM 0 HG21 THR A 33 -9.170 4.480 4.027 1.00 0.00 H new ATOM 0 HG22 THR A 33 -9.323 4.259 2.268 1.00 0.00 H new ATOM 0 HG23 THR A 33 -9.091 2.847 3.325 1.00 0.00 H new ATOM 423 N ILE A 34 -4.858 4.254 0.877 1.00 0.00 N ATOM 424 CA ILE A 34 -3.393 4.427 0.682 1.00 0.00 C ATOM 425 C ILE A 34 -2.751 5.067 1.925 1.00 0.00 C ATOM 426 O ILE A 34 -1.567 4.930 2.160 1.00 0.00 O ATOM 427 CB ILE A 34 -3.262 5.340 -0.546 1.00 0.00 C ATOM 428 CG1 ILE A 34 -1.795 5.392 -0.954 1.00 0.00 C ATOM 429 CG2 ILE A 34 -3.766 6.757 -0.233 1.00 0.00 C ATOM 430 CD1 ILE A 34 -1.660 5.922 -2.386 1.00 0.00 C ATOM 0 H ILE A 34 -5.442 4.906 0.352 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.881 3.476 0.534 1.00 0.00 H new ATOM 0 HB ILE A 34 -3.869 4.940 -1.358 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.242 6.034 -0.268 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -1.355 4.397 -0.884 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.662 7.384 -1.119 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.815 6.714 0.060 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.179 7.180 0.582 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.607 5.954 -2.664 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.196 5.264 -3.070 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.081 6.926 -2.444 1.00 0.00 H new ATOM 442 N TYR A 35 -3.517 5.801 2.693 1.00 0.00 N ATOM 443 CA TYR A 35 -2.944 6.482 3.891 1.00 0.00 C ATOM 444 C TYR A 35 -2.562 5.481 5.003 1.00 0.00 C ATOM 445 O TYR A 35 -1.570 5.660 5.684 1.00 0.00 O ATOM 446 CB TYR A 35 -4.025 7.497 4.340 1.00 0.00 C ATOM 447 CG TYR A 35 -5.020 6.895 5.316 1.00 0.00 C ATOM 448 CD1 TYR A 35 -4.641 6.694 6.648 1.00 0.00 C ATOM 449 CD2 TYR A 35 -6.308 6.548 4.894 1.00 0.00 C ATOM 450 CE1 TYR A 35 -5.538 6.145 7.559 1.00 0.00 C ATOM 451 CE2 TYR A 35 -7.214 5.996 5.809 1.00 0.00 C ATOM 452 CZ TYR A 35 -6.829 5.793 7.143 1.00 0.00 C ATOM 453 OH TYR A 35 -7.721 5.250 8.044 1.00 0.00 O ATOM 0 H TYR A 35 -4.513 5.957 2.541 1.00 0.00 H new ATOM 0 HA TYR A 35 -2.007 6.987 3.658 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -3.541 8.357 4.804 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -4.558 7.866 3.464 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -3.647 6.966 6.971 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -6.603 6.705 3.867 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -5.240 5.990 8.585 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -8.209 5.727 5.487 1.00 0.00 H new ATOM 0 HH TYR A 35 -8.571 5.065 7.592 1.00 0.00 H new ATOM 463 N GLN A 36 -3.361 4.461 5.224 1.00 0.00 N ATOM 464 CA GLN A 36 -3.038 3.503 6.332 1.00 0.00 C ATOM 465 C GLN A 36 -1.768 2.707 6.007 1.00 0.00 C ATOM 466 O GLN A 36 -1.078 2.249 6.898 1.00 0.00 O ATOM 467 CB GLN A 36 -4.269 2.600 6.497 1.00 0.00 C ATOM 468 CG GLN A 36 -4.427 1.663 5.303 1.00 0.00 C ATOM 469 CD GLN A 36 -5.661 0.786 5.514 1.00 0.00 C ATOM 470 OE1 GLN A 36 -6.481 0.648 4.630 1.00 0.00 O ATOM 471 NE2 GLN A 36 -5.827 0.183 6.660 1.00 0.00 N ATOM 0 H GLN A 36 -4.208 4.253 4.695 1.00 0.00 H new ATOM 0 HA GLN A 36 -2.828 4.022 7.267 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -4.175 2.015 7.412 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -5.163 3.214 6.602 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -4.528 2.240 4.384 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -3.538 1.041 5.193 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -5.137 0.300 7.402 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -6.646 -0.405 6.813 1.00 0.00 H new ATOM 480 N ILE A 37 -1.428 2.575 4.746 1.00 0.00 N ATOM 481 CA ILE A 37 -0.167 1.849 4.384 1.00 0.00 C ATOM 482 C ILE A 37 1.023 2.832 4.372 1.00 0.00 C ATOM 483 O ILE A 37 2.099 2.510 3.906 1.00 0.00 O ATOM 484 CB ILE A 37 -0.400 1.252 2.987 1.00 0.00 C ATOM 485 CG1 ILE A 37 -0.700 2.368 1.979 1.00 0.00 C ATOM 486 CG2 ILE A 37 -1.581 0.277 3.032 1.00 0.00 C ATOM 487 CD1 ILE A 37 -0.509 1.847 0.549 1.00 0.00 C ATOM 0 H ILE A 37 -1.964 2.935 3.957 1.00 0.00 H new ATOM 0 HA ILE A 37 0.070 1.067 5.105 1.00 0.00 H new ATOM 0 HB ILE A 37 0.500 0.722 2.677 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -1.721 2.725 2.112 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.040 3.217 2.157 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -1.743 -0.144 2.040 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -1.363 -0.526 3.736 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -2.478 0.807 3.352 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -0.724 2.646 -0.161 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.520 1.512 0.418 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -1.187 1.012 0.372 1.00 0.00 H new ATOM 499 N GLU A 38 0.829 4.031 4.877 1.00 0.00 N ATOM 500 CA GLU A 38 1.924 5.049 4.902 1.00 0.00 C ATOM 501 C GLU A 38 3.140 4.567 5.705 1.00 0.00 C ATOM 502 O GLU A 38 4.268 4.845 5.340 1.00 0.00 O ATOM 503 CB GLU A 38 1.296 6.289 5.552 1.00 0.00 C ATOM 504 CG GLU A 38 0.471 7.047 4.506 1.00 0.00 C ATOM 505 CD GLU A 38 -0.264 8.228 5.158 1.00 0.00 C ATOM 506 OE1 GLU A 38 -0.292 8.297 6.379 1.00 0.00 O ATOM 507 OE2 GLU A 38 -0.801 9.038 4.422 1.00 0.00 O ATOM 0 H GLU A 38 -0.054 4.348 5.277 1.00 0.00 H new ATOM 0 HA GLU A 38 2.301 5.250 3.899 1.00 0.00 H new ATOM 0 HB2 GLU A 38 0.662 5.994 6.388 1.00 0.00 H new ATOM 0 HB3 GLU A 38 2.075 6.936 5.956 1.00 0.00 H new ATOM 0 HG2 GLU A 38 1.124 7.410 3.712 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.249 6.373 4.043 1.00 0.00 H new ATOM 514 N HIS A 39 2.933 3.860 6.791 1.00 0.00 N ATOM 515 CA HIS A 39 4.101 3.384 7.603 1.00 0.00 C ATOM 516 C HIS A 39 4.368 1.881 7.394 1.00 0.00 C ATOM 517 O HIS A 39 5.402 1.378 7.790 1.00 0.00 O ATOM 518 CB HIS A 39 3.729 3.677 9.062 1.00 0.00 C ATOM 519 CG HIS A 39 2.461 2.953 9.430 1.00 0.00 C ATOM 520 ND1 HIS A 39 2.439 1.596 9.708 1.00 0.00 N ATOM 521 CD2 HIS A 39 1.168 3.388 9.578 1.00 0.00 C ATOM 522 CE1 HIS A 39 1.170 1.264 10.008 1.00 0.00 C ATOM 523 NE2 HIS A 39 0.354 2.320 9.943 1.00 0.00 N ATOM 0 H HIS A 39 2.016 3.594 7.148 1.00 0.00 H new ATOM 0 HA HIS A 39 5.020 3.890 7.306 1.00 0.00 H new ATOM 0 HB2 HIS A 39 4.539 3.365 9.721 1.00 0.00 H new ATOM 0 HB3 HIS A 39 3.598 4.750 9.203 1.00 0.00 H new ATOM 0 HD2 HIS A 39 0.833 4.405 9.433 1.00 0.00 H new ATOM 0 HE1 HIS A 39 0.850 0.266 10.269 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -0.650 2.339 10.122 1.00 0.00 H new ATOM 531 N TYR A 40 3.455 1.164 6.783 1.00 0.00 N ATOM 532 CA TYR A 40 3.676 -0.304 6.559 1.00 0.00 C ATOM 533 C TYR A 40 4.933 -0.536 5.709 1.00 0.00 C ATOM 534 O TYR A 40 5.207 0.196 4.776 1.00 0.00 O ATOM 535 CB TYR A 40 2.425 -0.796 5.827 1.00 0.00 C ATOM 536 CG TYR A 40 1.376 -1.196 6.839 1.00 0.00 C ATOM 537 CD1 TYR A 40 0.519 -0.230 7.380 1.00 0.00 C ATOM 538 CD2 TYR A 40 1.265 -2.533 7.241 1.00 0.00 C ATOM 539 CE1 TYR A 40 -0.450 -0.602 8.321 1.00 0.00 C ATOM 540 CE2 TYR A 40 0.297 -2.904 8.182 1.00 0.00 C ATOM 541 CZ TYR A 40 -0.560 -1.939 8.721 1.00 0.00 C ATOM 542 OH TYR A 40 -1.515 -2.303 9.649 1.00 0.00 O ATOM 0 H TYR A 40 2.570 1.528 6.430 1.00 0.00 H new ATOM 0 HA TYR A 40 3.830 -0.840 7.495 1.00 0.00 H new ATOM 0 HB2 TYR A 40 2.038 -0.011 5.177 1.00 0.00 H new ATOM 0 HB3 TYR A 40 2.673 -1.645 5.189 1.00 0.00 H new ATOM 0 HD1 TYR A 40 0.605 0.802 7.072 1.00 0.00 H new ATOM 0 HD2 TYR A 40 1.927 -3.278 6.825 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -1.112 0.143 8.738 1.00 0.00 H new ATOM 0 HE2 TYR A 40 0.212 -3.935 8.492 1.00 0.00 H new ATOM 0 HH TYR A 40 -1.458 -3.267 9.816 1.00 0.00 H new ATOM 552 N SER A 41 5.702 -1.548 6.037 1.00 0.00 N ATOM 553 CA SER A 41 6.952 -1.839 5.270 1.00 0.00 C ATOM 554 C SER A 41 6.766 -3.089 4.407 1.00 0.00 C ATOM 555 O SER A 41 5.739 -3.732 4.460 1.00 0.00 O ATOM 556 CB SER A 41 8.023 -2.074 6.335 1.00 0.00 C ATOM 557 OG SER A 41 8.311 -0.844 6.988 1.00 0.00 O ATOM 0 H SER A 41 5.514 -2.188 6.809 1.00 0.00 H new ATOM 0 HA SER A 41 7.221 -1.027 4.594 1.00 0.00 H new ATOM 0 HB2 SER A 41 7.677 -2.812 7.059 1.00 0.00 H new ATOM 0 HB3 SER A 41 8.926 -2.476 5.877 1.00 0.00 H new ATOM 0 HG SER A 41 8.996 -0.990 7.673 1.00 0.00 H new ATOM 563 N MET A 42 7.749 -3.430 3.608 1.00 0.00 N ATOM 564 CA MET A 42 7.626 -4.641 2.732 1.00 0.00 C ATOM 565 C MET A 42 7.418 -5.906 3.575 1.00 0.00 C ATOM 566 O MET A 42 6.590 -6.739 3.262 1.00 0.00 O ATOM 567 CB MET A 42 8.954 -4.733 1.977 1.00 0.00 C ATOM 568 CG MET A 42 9.055 -3.593 0.962 1.00 0.00 C ATOM 569 SD MET A 42 10.577 -3.779 -0.003 1.00 0.00 S ATOM 570 CE MET A 42 10.075 -5.244 -0.941 1.00 0.00 C ATOM 0 H MET A 42 8.630 -2.924 3.524 1.00 0.00 H new ATOM 0 HA MET A 42 6.772 -4.560 2.060 1.00 0.00 H new ATOM 0 HB2 MET A 42 9.786 -4.681 2.679 1.00 0.00 H new ATOM 0 HB3 MET A 42 9.027 -5.693 1.467 1.00 0.00 H new ATOM 0 HG2 MET A 42 8.189 -3.602 0.301 1.00 0.00 H new ATOM 0 HG3 MET A 42 9.053 -2.632 1.476 1.00 0.00 H new ATOM 0 HE1 MET A 42 10.715 -5.352 -1.817 1.00 0.00 H new ATOM 0 HE2 MET A 42 10.168 -6.129 -0.311 1.00 0.00 H new ATOM 0 HE3 MET A 42 9.039 -5.134 -1.261 1.00 0.00 H new ATOM 580 N ASP A 43 8.164 -6.049 4.642 1.00 0.00 N ATOM 581 CA ASP A 43 8.015 -7.259 5.514 1.00 0.00 C ATOM 582 C ASP A 43 6.592 -7.334 6.074 1.00 0.00 C ATOM 583 O ASP A 43 5.994 -8.390 6.153 1.00 0.00 O ATOM 584 CB ASP A 43 9.029 -7.062 6.645 1.00 0.00 C ATOM 585 CG ASP A 43 10.453 -7.231 6.103 1.00 0.00 C ATOM 586 OD1 ASP A 43 10.625 -7.987 5.160 1.00 0.00 O ATOM 587 OD2 ASP A 43 11.346 -6.599 6.641 1.00 0.00 O ATOM 0 H ASP A 43 8.871 -5.381 4.949 1.00 0.00 H new ATOM 0 HA ASP A 43 8.191 -8.186 4.968 1.00 0.00 H new ATOM 0 HB2 ASP A 43 8.912 -6.070 7.082 1.00 0.00 H new ATOM 0 HB3 ASP A 43 8.845 -7.784 7.440 1.00 0.00 H new ATOM 592 N ASP A 44 6.052 -6.208 6.448 1.00 0.00 N ATOM 593 CA ASP A 44 4.663 -6.173 6.998 1.00 0.00 C ATOM 594 C ASP A 44 3.661 -6.563 5.904 1.00 0.00 C ATOM 595 O ASP A 44 2.632 -7.155 6.167 1.00 0.00 O ATOM 596 CB ASP A 44 4.443 -4.721 7.431 1.00 0.00 C ATOM 597 CG ASP A 44 5.308 -4.416 8.656 1.00 0.00 C ATOM 598 OD1 ASP A 44 5.433 -5.284 9.502 1.00 0.00 O ATOM 599 OD2 ASP A 44 5.840 -3.318 8.720 1.00 0.00 O ATOM 0 H ASP A 44 6.516 -5.301 6.397 1.00 0.00 H new ATOM 0 HA ASP A 44 4.526 -6.868 7.826 1.00 0.00 H new ATOM 0 HB2 ASP A 44 4.698 -4.045 6.615 1.00 0.00 H new ATOM 0 HB3 ASP A 44 3.391 -4.556 7.665 1.00 0.00 H new ATOM 604 N LEU A 45 3.962 -6.216 4.682 1.00 0.00 N ATOM 605 CA LEU A 45 3.042 -6.535 3.542 1.00 0.00 C ATOM 606 C LEU A 45 2.951 -8.047 3.295 1.00 0.00 C ATOM 607 O LEU A 45 1.932 -8.540 2.848 1.00 0.00 O ATOM 608 CB LEU A 45 3.653 -5.833 2.328 1.00 0.00 C ATOM 609 CG LEU A 45 2.692 -5.935 1.143 1.00 0.00 C ATOM 610 CD1 LEU A 45 1.445 -5.082 1.412 1.00 0.00 C ATOM 611 CD2 LEU A 45 3.396 -5.434 -0.119 1.00 0.00 C ATOM 0 H LEU A 45 4.813 -5.720 4.418 1.00 0.00 H new ATOM 0 HA LEU A 45 2.025 -6.201 3.749 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.850 -4.787 2.561 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.610 -6.289 2.074 1.00 0.00 H new ATOM 0 HG LEU A 45 2.390 -6.973 1.006 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.763 -5.158 0.565 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.946 -5.440 2.313 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.739 -4.041 1.550 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.715 -5.504 -0.968 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.697 -4.396 0.020 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.278 -6.045 -0.310 1.00 0.00 H new ATOM 623 N ALA A 46 4.002 -8.788 3.566 1.00 0.00 N ATOM 624 CA ALA A 46 3.959 -10.272 3.325 1.00 0.00 C ATOM 625 C ALA A 46 2.756 -10.894 4.046 1.00 0.00 C ATOM 626 O ALA A 46 2.039 -11.697 3.482 1.00 0.00 O ATOM 627 CB ALA A 46 5.268 -10.816 3.901 1.00 0.00 C ATOM 0 H ALA A 46 4.882 -8.434 3.941 1.00 0.00 H new ATOM 0 HA ALA A 46 3.854 -10.509 2.266 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.306 -11.896 3.760 1.00 0.00 H new ATOM 0 HB2 ALA A 46 6.111 -10.353 3.388 1.00 0.00 H new ATOM 0 HB3 ALA A 46 5.320 -10.587 4.965 1.00 0.00 H new ATOM 633 N SER A 47 2.529 -10.527 5.286 1.00 0.00 N ATOM 634 CA SER A 47 1.363 -11.092 6.053 1.00 0.00 C ATOM 635 C SER A 47 0.068 -10.971 5.233 1.00 0.00 C ATOM 636 O SER A 47 -0.864 -11.732 5.408 1.00 0.00 O ATOM 637 CB SER A 47 1.273 -10.239 7.318 1.00 0.00 C ATOM 638 OG SER A 47 0.238 -10.741 8.153 1.00 0.00 O ATOM 0 H SER A 47 3.100 -9.859 5.804 1.00 0.00 H new ATOM 0 HA SER A 47 1.496 -12.150 6.278 1.00 0.00 H new ATOM 0 HB2 SER A 47 2.224 -10.256 7.850 1.00 0.00 H new ATOM 0 HB3 SER A 47 1.072 -9.200 7.056 1.00 0.00 H new ATOM 0 HG SER A 47 0.180 -10.196 8.965 1.00 0.00 H new ATOM 644 N LEU A 48 0.016 -10.017 4.335 1.00 0.00 N ATOM 645 CA LEU A 48 -1.204 -9.823 3.484 1.00 0.00 C ATOM 646 C LEU A 48 -1.325 -10.910 2.395 1.00 0.00 C ATOM 647 O LEU A 48 -2.213 -10.851 1.572 1.00 0.00 O ATOM 648 CB LEU A 48 -1.011 -8.452 2.837 1.00 0.00 C ATOM 649 CG LEU A 48 -2.360 -7.737 2.730 1.00 0.00 C ATOM 650 CD1 LEU A 48 -2.604 -6.920 3.999 1.00 0.00 C ATOM 651 CD2 LEU A 48 -2.348 -6.801 1.519 1.00 0.00 C ATOM 0 H LEU A 48 0.773 -9.358 4.153 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.115 -9.890 4.078 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.318 -7.854 3.429 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -0.569 -8.565 1.847 1.00 0.00 H new ATOM 0 HG LEU A 48 -3.153 -8.475 2.612 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.564 -6.410 3.924 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.612 -7.584 4.863 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.810 -6.183 4.115 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.309 -6.292 1.443 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.555 -6.063 1.637 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -2.172 -7.381 0.613 1.00 0.00 H new ATOM 663 N LYS A 49 -0.442 -11.897 2.388 1.00 0.00 N ATOM 664 CA LYS A 49 -0.469 -13.021 1.377 1.00 0.00 C ATOM 665 C LYS A 49 0.033 -12.564 0.004 1.00 0.00 C ATOM 666 O LYS A 49 -0.056 -13.301 -0.962 1.00 0.00 O ATOM 667 CB LYS A 49 -1.919 -13.538 1.271 1.00 0.00 C ATOM 668 CG LYS A 49 -2.490 -13.809 2.666 1.00 0.00 C ATOM 669 CD LYS A 49 -3.764 -14.647 2.544 1.00 0.00 C ATOM 670 CE LYS A 49 -4.877 -13.802 1.922 1.00 0.00 C ATOM 671 NZ LYS A 49 -6.136 -14.538 2.226 1.00 0.00 N ATOM 0 H LYS A 49 0.319 -11.970 3.063 1.00 0.00 H new ATOM 0 HA LYS A 49 0.199 -13.815 1.710 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -2.537 -12.804 0.754 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -1.944 -14.451 0.677 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -1.754 -14.334 3.276 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -2.709 -12.868 3.170 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -3.575 -15.527 1.929 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -4.071 -15.005 3.527 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -4.894 -12.798 2.346 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -4.734 -13.691 0.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -6.946 -14.019 1.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -6.094 -15.487 1.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -6.249 -14.622 3.256 1.00 0.00 H new ATOM 685 N ILE A 50 0.590 -11.382 -0.098 1.00 0.00 N ATOM 686 CA ILE A 50 1.128 -10.916 -1.413 1.00 0.00 C ATOM 687 C ILE A 50 2.497 -11.568 -1.676 1.00 0.00 C ATOM 688 O ILE A 50 3.291 -11.705 -0.764 1.00 0.00 O ATOM 689 CB ILE A 50 1.262 -9.395 -1.278 1.00 0.00 C ATOM 690 CG1 ILE A 50 -0.115 -8.785 -0.994 1.00 0.00 C ATOM 691 CG2 ILE A 50 1.817 -8.805 -2.578 1.00 0.00 C ATOM 692 CD1 ILE A 50 0.038 -7.291 -0.703 1.00 0.00 C ATOM 0 H ILE A 50 0.695 -10.721 0.672 1.00 0.00 H new ATOM 0 HA ILE A 50 0.481 -11.185 -2.248 1.00 0.00 H new ATOM 0 HB ILE A 50 1.943 -9.167 -0.458 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -0.774 -8.934 -1.850 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -0.578 -9.286 -0.144 1.00 0.00 H new ATOM 0 HG21 ILE A 50 1.910 -7.724 -2.476 1.00 0.00 H new ATOM 0 HG22 ILE A 50 2.797 -9.236 -2.784 1.00 0.00 H new ATOM 0 HG23 ILE A 50 1.140 -9.035 -3.400 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -0.941 -6.857 -0.501 1.00 0.00 H new ATOM 0 HD12 ILE A 50 0.682 -7.154 0.166 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.483 -6.796 -1.566 1.00 0.00 H new ATOM 704 N PRO A 51 2.740 -11.929 -2.915 1.00 0.00 N ATOM 705 CA PRO A 51 4.064 -12.543 -3.230 1.00 0.00 C ATOM 706 C PRO A 51 5.151 -11.466 -3.149 1.00 0.00 C ATOM 707 O PRO A 51 4.848 -10.292 -3.049 1.00 0.00 O ATOM 708 CB PRO A 51 3.908 -13.058 -4.658 1.00 0.00 C ATOM 709 CG PRO A 51 2.831 -12.214 -5.248 1.00 0.00 C ATOM 710 CD PRO A 51 1.901 -11.849 -4.124 1.00 0.00 C ATOM 0 HA PRO A 51 4.350 -13.338 -2.542 1.00 0.00 H new ATOM 0 HB2 PRO A 51 4.838 -12.962 -5.218 1.00 0.00 H new ATOM 0 HB3 PRO A 51 3.636 -14.113 -4.671 1.00 0.00 H new ATOM 0 HG2 PRO A 51 3.250 -11.320 -5.709 1.00 0.00 H new ATOM 0 HG3 PRO A 51 2.299 -12.757 -6.029 1.00 0.00 H new ATOM 0 HD2 PRO A 51 1.490 -10.848 -4.257 1.00 0.00 H new ATOM 0 HD3 PRO A 51 1.056 -12.536 -4.068 1.00 0.00 H new ATOM 718 N GLU A 52 6.409 -11.839 -3.200 1.00 0.00 N ATOM 719 CA GLU A 52 7.504 -10.815 -3.132 1.00 0.00 C ATOM 720 C GLU A 52 7.532 -9.984 -4.418 1.00 0.00 C ATOM 721 O GLU A 52 7.941 -8.839 -4.422 1.00 0.00 O ATOM 722 CB GLU A 52 8.801 -11.620 -2.999 1.00 0.00 C ATOM 723 CG GLU A 52 8.802 -12.392 -1.674 1.00 0.00 C ATOM 724 CD GLU A 52 10.098 -13.203 -1.529 1.00 0.00 C ATOM 725 OE1 GLU A 52 10.851 -13.279 -2.490 1.00 0.00 O ATOM 726 OE2 GLU A 52 10.312 -13.744 -0.457 1.00 0.00 O ATOM 0 H GLU A 52 6.725 -12.805 -3.286 1.00 0.00 H new ATOM 0 HA GLU A 52 7.363 -10.123 -2.302 1.00 0.00 H new ATOM 0 HB2 GLU A 52 8.896 -12.314 -3.834 1.00 0.00 H new ATOM 0 HB3 GLU A 52 9.661 -10.951 -3.041 1.00 0.00 H new ATOM 0 HG2 GLU A 52 8.705 -11.697 -0.840 1.00 0.00 H new ATOM 0 HG3 GLU A 52 7.941 -13.059 -1.634 1.00 0.00 H new ATOM 733 N GLN A 53 7.111 -10.567 -5.509 1.00 0.00 N ATOM 734 CA GLN A 53 7.115 -9.837 -6.815 1.00 0.00 C ATOM 735 C GLN A 53 6.233 -8.585 -6.726 1.00 0.00 C ATOM 736 O GLN A 53 6.463 -7.606 -7.414 1.00 0.00 O ATOM 737 CB GLN A 53 6.549 -10.855 -7.829 1.00 0.00 C ATOM 738 CG GLN A 53 6.106 -10.152 -9.121 1.00 0.00 C ATOM 739 CD GLN A 53 6.480 -11.007 -10.331 1.00 0.00 C ATOM 740 OE1 GLN A 53 5.647 -11.694 -10.889 1.00 0.00 O ATOM 741 NE2 GLN A 53 7.710 -10.992 -10.759 1.00 0.00 N ATOM 0 H GLN A 53 6.762 -11.524 -5.554 1.00 0.00 H new ATOM 0 HA GLN A 53 8.107 -9.489 -7.103 1.00 0.00 H new ATOM 0 HB2 GLN A 53 7.306 -11.605 -8.059 1.00 0.00 H new ATOM 0 HB3 GLN A 53 5.703 -11.382 -7.388 1.00 0.00 H new ATOM 0 HG2 GLN A 53 5.029 -9.983 -9.103 1.00 0.00 H new ATOM 0 HG3 GLN A 53 6.581 -9.174 -9.195 1.00 0.00 H new ATOM 0 HE21 GLN A 53 8.407 -10.414 -10.289 1.00 0.00 H new ATOM 0 HE22 GLN A 53 7.977 -11.558 -11.565 1.00 0.00 H new ATOM 750 N PHE A 54 5.249 -8.602 -5.874 1.00 0.00 N ATOM 751 CA PHE A 54 4.370 -7.410 -5.728 1.00 0.00 C ATOM 752 C PHE A 54 4.728 -6.611 -4.466 1.00 0.00 C ATOM 753 O PHE A 54 4.241 -5.516 -4.275 1.00 0.00 O ATOM 754 CB PHE A 54 2.950 -7.971 -5.657 1.00 0.00 C ATOM 755 CG PHE A 54 2.440 -8.190 -7.063 1.00 0.00 C ATOM 756 CD1 PHE A 54 2.732 -9.381 -7.740 1.00 0.00 C ATOM 757 CD2 PHE A 54 1.685 -7.195 -7.696 1.00 0.00 C ATOM 758 CE1 PHE A 54 2.266 -9.577 -9.047 1.00 0.00 C ATOM 759 CE2 PHE A 54 1.221 -7.390 -9.003 1.00 0.00 C ATOM 760 CZ PHE A 54 1.511 -8.582 -9.677 1.00 0.00 C ATOM 0 H PHE A 54 5.015 -9.391 -5.271 1.00 0.00 H new ATOM 0 HA PHE A 54 4.483 -6.712 -6.558 1.00 0.00 H new ATOM 0 HB2 PHE A 54 2.943 -8.910 -5.103 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.298 -7.280 -5.123 1.00 0.00 H new ATOM 0 HD1 PHE A 54 3.316 -10.149 -7.255 1.00 0.00 H new ATOM 0 HD2 PHE A 54 1.460 -6.276 -7.176 1.00 0.00 H new ATOM 0 HE1 PHE A 54 2.490 -10.496 -9.568 1.00 0.00 H new ATOM 0 HE2 PHE A 54 0.640 -6.621 -9.490 1.00 0.00 H new ATOM 0 HZ PHE A 54 1.152 -8.734 -10.684 1.00 0.00 H new ATOM 770 N ARG A 55 5.575 -7.137 -3.603 1.00 0.00 N ATOM 771 CA ARG A 55 5.948 -6.366 -2.376 1.00 0.00 C ATOM 772 C ARG A 55 6.819 -5.157 -2.739 1.00 0.00 C ATOM 773 O ARG A 55 6.587 -4.059 -2.268 1.00 0.00 O ATOM 774 CB ARG A 55 6.726 -7.329 -1.469 1.00 0.00 C ATOM 775 CG ARG A 55 5.755 -8.216 -0.680 1.00 0.00 C ATOM 776 CD ARG A 55 6.459 -8.757 0.570 1.00 0.00 C ATOM 777 NE ARG A 55 7.475 -9.719 0.070 1.00 0.00 N ATOM 778 CZ ARG A 55 8.746 -9.448 0.199 1.00 0.00 C ATOM 779 NH1 ARG A 55 9.285 -9.398 1.386 1.00 0.00 N ATOM 780 NH2 ARG A 55 9.478 -9.225 -0.858 1.00 0.00 N ATOM 0 H ARG A 55 6.015 -8.052 -3.697 1.00 0.00 H new ATOM 0 HA ARG A 55 5.059 -5.984 -1.874 1.00 0.00 H new ATOM 0 HB2 ARG A 55 7.390 -7.950 -2.070 1.00 0.00 H new ATOM 0 HB3 ARG A 55 7.355 -6.764 -0.781 1.00 0.00 H new ATOM 0 HG2 ARG A 55 4.873 -7.643 -0.394 1.00 0.00 H new ATOM 0 HG3 ARG A 55 5.411 -9.042 -1.303 1.00 0.00 H new ATOM 0 HD2 ARG A 55 6.927 -7.952 1.136 1.00 0.00 H new ATOM 0 HD3 ARG A 55 5.751 -9.247 1.238 1.00 0.00 H new ATOM 0 HE ARG A 55 7.180 -10.589 -0.373 1.00 0.00 H new ATOM 0 HH11 ARG A 55 8.714 -9.571 2.213 1.00 0.00 H new ATOM 0 HH12 ARG A 55 10.278 -9.186 1.487 1.00 0.00 H new ATOM 0 HH21 ARG A 55 9.058 -9.262 -1.787 1.00 0.00 H new ATOM 0 HH22 ARG A 55 10.471 -9.013 -0.756 1.00 0.00 H new ATOM 794 N HIS A 56 7.820 -5.349 -3.565 1.00 0.00 N ATOM 795 CA HIS A 56 8.708 -4.205 -3.946 1.00 0.00 C ATOM 796 C HIS A 56 8.069 -3.367 -5.058 1.00 0.00 C ATOM 797 O HIS A 56 8.337 -2.187 -5.184 1.00 0.00 O ATOM 798 CB HIS A 56 10.021 -4.842 -4.423 1.00 0.00 C ATOM 799 CG HIS A 56 9.768 -5.748 -5.599 1.00 0.00 C ATOM 800 ND1 HIS A 56 9.520 -5.256 -6.871 1.00 0.00 N ATOM 801 CD2 HIS A 56 9.732 -7.114 -5.711 1.00 0.00 C ATOM 802 CE1 HIS A 56 9.349 -6.313 -7.687 1.00 0.00 C ATOM 803 NE2 HIS A 56 9.468 -7.470 -7.031 1.00 0.00 N ATOM 0 H HIS A 56 8.060 -6.245 -3.990 1.00 0.00 H new ATOM 0 HA HIS A 56 8.874 -3.528 -3.108 1.00 0.00 H new ATOM 0 HB2 HIS A 56 10.730 -4.063 -4.702 1.00 0.00 H new ATOM 0 HB3 HIS A 56 10.474 -5.409 -3.610 1.00 0.00 H new ATOM 0 HD1 HIS A 56 9.475 -4.273 -7.140 1.00 0.00 H new ATOM 0 HD2 HIS A 56 9.885 -7.809 -4.898 1.00 0.00 H new ATOM 0 HE1 HIS A 56 9.141 -6.235 -8.744 1.00 0.00 H new ATOM 811 N ALA A 57 7.224 -3.966 -5.861 1.00 0.00 N ATOM 812 CA ALA A 57 6.565 -3.196 -6.961 1.00 0.00 C ATOM 813 C ALA A 57 5.559 -2.202 -6.371 1.00 0.00 C ATOM 814 O ALA A 57 5.491 -1.056 -6.771 1.00 0.00 O ATOM 815 CB ALA A 57 5.850 -4.245 -7.815 1.00 0.00 C ATOM 0 H ALA A 57 6.963 -4.950 -5.803 1.00 0.00 H new ATOM 0 HA ALA A 57 7.279 -2.619 -7.549 1.00 0.00 H new ATOM 0 HB1 ALA A 57 5.342 -3.754 -8.645 1.00 0.00 H new ATOM 0 HB2 ALA A 57 6.579 -4.955 -8.205 1.00 0.00 H new ATOM 0 HB3 ALA A 57 5.119 -4.775 -7.204 1.00 0.00 H new ATOM 821 N ILE A 58 4.782 -2.642 -5.415 1.00 0.00 N ATOM 822 CA ILE A 58 3.773 -1.742 -4.774 1.00 0.00 C ATOM 823 C ILE A 58 4.465 -0.730 -3.852 1.00 0.00 C ATOM 824 O ILE A 58 4.113 0.435 -3.816 1.00 0.00 O ATOM 825 CB ILE A 58 2.859 -2.678 -3.969 1.00 0.00 C ATOM 826 CG1 ILE A 58 2.178 -3.669 -4.919 1.00 0.00 C ATOM 827 CG2 ILE A 58 1.787 -1.867 -3.237 1.00 0.00 C ATOM 828 CD1 ILE A 58 1.407 -4.713 -4.106 1.00 0.00 C ATOM 0 H ILE A 58 4.803 -3.593 -5.047 1.00 0.00 H new ATOM 0 HA ILE A 58 3.214 -1.161 -5.508 1.00 0.00 H new ATOM 0 HB ILE A 58 3.462 -3.218 -3.239 1.00 0.00 H new ATOM 0 HG12 ILE A 58 1.499 -3.140 -5.587 1.00 0.00 H new ATOM 0 HG13 ILE A 58 2.924 -4.159 -5.545 1.00 0.00 H new ATOM 0 HG21 ILE A 58 1.145 -2.541 -2.670 1.00 0.00 H new ATOM 0 HG22 ILE A 58 2.265 -1.163 -2.556 1.00 0.00 H new ATOM 0 HG23 ILE A 58 1.186 -1.319 -3.963 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.923 -5.417 -4.783 1.00 0.00 H new ATOM 0 HD12 ILE A 58 2.098 -5.251 -3.456 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.651 -4.215 -3.499 1.00 0.00 H new ATOM 840 N TRP A 59 5.436 -1.175 -3.099 1.00 0.00 N ATOM 841 CA TRP A 59 6.152 -0.255 -2.160 1.00 0.00 C ATOM 842 C TRP A 59 6.814 0.896 -2.926 1.00 0.00 C ATOM 843 O TRP A 59 6.852 2.019 -2.460 1.00 0.00 O ATOM 844 CB TRP A 59 7.207 -1.120 -1.466 1.00 0.00 C ATOM 845 CG TRP A 59 7.637 -0.450 -0.202 1.00 0.00 C ATOM 846 CD1 TRP A 59 6.800 -0.034 0.776 1.00 0.00 C ATOM 847 CD2 TRP A 59 8.983 -0.117 0.244 1.00 0.00 C ATOM 848 NE1 TRP A 59 7.545 0.536 1.791 1.00 0.00 N ATOM 849 CE2 TRP A 59 8.895 0.508 1.511 1.00 0.00 C ATOM 850 CE3 TRP A 59 10.258 -0.293 -0.321 1.00 0.00 C ATOM 851 CZ2 TRP A 59 10.032 0.943 2.192 1.00 0.00 C ATOM 852 CZ3 TRP A 59 11.406 0.144 0.362 1.00 0.00 C ATOM 853 CH2 TRP A 59 11.292 0.760 1.616 1.00 0.00 C ATOM 0 H TRP A 59 5.767 -2.140 -3.092 1.00 0.00 H new ATOM 0 HA TRP A 59 5.469 0.201 -1.444 1.00 0.00 H new ATOM 0 HB2 TRP A 59 6.799 -2.107 -1.248 1.00 0.00 H new ATOM 0 HB3 TRP A 59 8.064 -1.267 -2.123 1.00 0.00 H new ATOM 0 HD1 TRP A 59 5.724 -0.131 0.765 1.00 0.00 H new ATOM 0 HE1 TRP A 59 7.145 0.929 2.643 1.00 0.00 H new ATOM 0 HE3 TRP A 59 10.356 -0.767 -1.286 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 9.939 1.418 3.158 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 12.381 0.005 -0.082 1.00 0.00 H new ATOM 0 HH2 TRP A 59 12.178 1.093 2.137 1.00 0.00 H new ATOM 864 N LYS A 60 7.351 0.618 -4.086 1.00 0.00 N ATOM 865 CA LYS A 60 8.033 1.690 -4.879 1.00 0.00 C ATOM 866 C LYS A 60 7.056 2.826 -5.216 1.00 0.00 C ATOM 867 O LYS A 60 7.415 3.988 -5.170 1.00 0.00 O ATOM 868 CB LYS A 60 8.516 0.992 -6.159 1.00 0.00 C ATOM 869 CG LYS A 60 9.239 1.998 -7.061 1.00 0.00 C ATOM 870 CD LYS A 60 9.717 1.296 -8.335 1.00 0.00 C ATOM 871 CE LYS A 60 10.399 2.317 -9.255 1.00 0.00 C ATOM 872 NZ LYS A 60 10.462 1.672 -10.603 1.00 0.00 N ATOM 0 H LYS A 60 7.348 -0.305 -4.520 1.00 0.00 H new ATOM 0 HA LYS A 60 8.854 2.145 -4.326 1.00 0.00 H new ATOM 0 HB2 LYS A 60 9.186 0.171 -5.905 1.00 0.00 H new ATOM 0 HB3 LYS A 60 7.668 0.559 -6.689 1.00 0.00 H new ATOM 0 HG2 LYS A 60 8.570 2.820 -7.316 1.00 0.00 H new ATOM 0 HG3 LYS A 60 10.088 2.431 -6.532 1.00 0.00 H new ATOM 0 HD2 LYS A 60 10.413 0.496 -8.083 1.00 0.00 H new ATOM 0 HD3 LYS A 60 8.873 0.835 -8.848 1.00 0.00 H new ATOM 0 HE2 LYS A 60 9.834 3.248 -9.293 1.00 0.00 H new ATOM 0 HE3 LYS A 60 11.397 2.565 -8.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 10.918 2.320 -11.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 11.013 0.792 -10.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 9.499 1.455 -10.929 1.00 0.00 H new ATOM 886 N GLY A 61 5.834 2.503 -5.555 1.00 0.00 N ATOM 887 CA GLY A 61 4.840 3.567 -5.900 1.00 0.00 C ATOM 888 C GLY A 61 4.450 4.357 -4.648 1.00 0.00 C ATOM 889 O GLY A 61 4.143 5.532 -4.718 1.00 0.00 O ATOM 0 H GLY A 61 5.480 1.548 -5.608 1.00 0.00 H new ATOM 0 HA2 GLY A 61 5.262 4.240 -6.646 1.00 0.00 H new ATOM 0 HA3 GLY A 61 3.953 3.115 -6.344 1.00 0.00 H new ATOM 893 N ILE A 62 4.447 3.718 -3.508 1.00 0.00 N ATOM 894 CA ILE A 62 4.063 4.421 -2.244 1.00 0.00 C ATOM 895 C ILE A 62 5.099 5.490 -1.873 1.00 0.00 C ATOM 896 O ILE A 62 4.750 6.560 -1.407 1.00 0.00 O ATOM 897 CB ILE A 62 4.001 3.322 -1.174 1.00 0.00 C ATOM 898 CG1 ILE A 62 2.901 2.323 -1.541 1.00 0.00 C ATOM 899 CG2 ILE A 62 3.687 3.931 0.196 1.00 0.00 C ATOM 900 CD1 ILE A 62 2.962 1.121 -0.594 1.00 0.00 C ATOM 0 H ILE A 62 4.695 2.735 -3.395 1.00 0.00 H new ATOM 0 HA ILE A 62 3.111 4.943 -2.345 1.00 0.00 H new ATOM 0 HB ILE A 62 4.967 2.818 -1.128 1.00 0.00 H new ATOM 0 HG12 ILE A 62 1.924 2.802 -1.475 1.00 0.00 H new ATOM 0 HG13 ILE A 62 3.025 1.993 -2.572 1.00 0.00 H new ATOM 0 HG21 ILE A 62 3.646 3.140 0.945 1.00 0.00 H new ATOM 0 HG22 ILE A 62 4.466 4.645 0.464 1.00 0.00 H new ATOM 0 HG23 ILE A 62 2.725 4.442 0.155 1.00 0.00 H new ATOM 0 HD11 ILE A 62 2.178 0.411 -0.857 1.00 0.00 H new ATOM 0 HD12 ILE A 62 3.935 0.637 -0.682 1.00 0.00 H new ATOM 0 HD13 ILE A 62 2.817 1.459 0.432 1.00 0.00 H new ATOM 912 N LEU A 63 6.364 5.204 -2.048 1.00 0.00 N ATOM 913 CA LEU A 63 7.415 6.203 -1.673 1.00 0.00 C ATOM 914 C LEU A 63 7.237 7.504 -2.467 1.00 0.00 C ATOM 915 O LEU A 63 7.262 8.582 -1.907 1.00 0.00 O ATOM 916 CB LEU A 63 8.745 5.538 -2.026 1.00 0.00 C ATOM 917 CG LEU A 63 8.996 4.361 -1.080 1.00 0.00 C ATOM 918 CD1 LEU A 63 10.207 3.565 -1.568 1.00 0.00 C ATOM 919 CD2 LEU A 63 9.264 4.884 0.335 1.00 0.00 C ATOM 0 H LEU A 63 6.715 4.327 -2.432 1.00 0.00 H new ATOM 0 HA LEU A 63 7.360 6.472 -0.618 1.00 0.00 H new ATOM 0 HB2 LEU A 63 8.727 5.190 -3.059 1.00 0.00 H new ATOM 0 HB3 LEU A 63 9.557 6.261 -1.947 1.00 0.00 H new ATOM 0 HG LEU A 63 8.118 3.716 -1.065 1.00 0.00 H new ATOM 0 HD11 LEU A 63 10.387 2.727 -0.895 1.00 0.00 H new ATOM 0 HD12 LEU A 63 10.014 3.189 -2.573 1.00 0.00 H new ATOM 0 HD13 LEU A 63 11.085 4.211 -1.585 1.00 0.00 H new ATOM 0 HD21 LEU A 63 9.442 4.044 1.006 1.00 0.00 H new ATOM 0 HD22 LEU A 63 10.141 5.531 0.324 1.00 0.00 H new ATOM 0 HD23 LEU A 63 8.400 5.450 0.684 1.00 0.00 H new ATOM 931 N ASP A 64 7.066 7.410 -3.761 1.00 0.00 N ATOM 932 CA ASP A 64 6.894 8.645 -4.595 1.00 0.00 C ATOM 933 C ASP A 64 5.665 9.438 -4.140 1.00 0.00 C ATOM 934 O ASP A 64 5.683 10.653 -4.102 1.00 0.00 O ATOM 935 CB ASP A 64 6.707 8.149 -6.032 1.00 0.00 C ATOM 936 CG ASP A 64 8.024 7.567 -6.564 1.00 0.00 C ATOM 937 OD1 ASP A 64 9.067 7.900 -6.022 1.00 0.00 O ATOM 938 OD2 ASP A 64 7.966 6.800 -7.511 1.00 0.00 O ATOM 0 H ASP A 64 7.038 6.532 -4.279 1.00 0.00 H new ATOM 0 HA ASP A 64 7.752 9.312 -4.505 1.00 0.00 H new ATOM 0 HB2 ASP A 64 5.925 7.390 -6.064 1.00 0.00 H new ATOM 0 HB3 ASP A 64 6.380 8.971 -6.669 1.00 0.00 H new ATOM 943 N HIS A 65 4.600 8.759 -3.804 1.00 0.00 N ATOM 944 CA HIS A 65 3.358 9.468 -3.359 1.00 0.00 C ATOM 945 C HIS A 65 3.644 10.317 -2.111 1.00 0.00 C ATOM 946 O HIS A 65 3.146 11.418 -1.977 1.00 0.00 O ATOM 947 CB HIS A 65 2.354 8.354 -3.039 1.00 0.00 C ATOM 948 CG HIS A 65 1.050 8.951 -2.575 1.00 0.00 C ATOM 949 ND1 HIS A 65 0.259 9.734 -3.402 1.00 0.00 N ATOM 950 CD2 HIS A 65 0.389 8.886 -1.375 1.00 0.00 C ATOM 951 CE1 HIS A 65 -0.824 10.105 -2.692 1.00 0.00 C ATOM 952 NE2 HIS A 65 -0.794 9.615 -1.450 1.00 0.00 N ATOM 0 H HIS A 65 4.534 7.741 -3.818 1.00 0.00 H new ATOM 0 HA HIS A 65 2.978 10.149 -4.121 1.00 0.00 H new ATOM 0 HB2 HIS A 65 2.187 7.739 -3.923 1.00 0.00 H new ATOM 0 HB3 HIS A 65 2.759 7.700 -2.267 1.00 0.00 H new ATOM 0 HD2 HIS A 65 0.734 8.350 -0.503 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -1.620 10.724 -3.080 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -1.489 9.747 -0.715 1.00 0.00 H new ATOM 960 N ARG A 66 4.428 9.810 -1.197 1.00 0.00 N ATOM 961 CA ARG A 66 4.738 10.589 0.044 1.00 0.00 C ATOM 962 C ARG A 66 5.602 11.801 -0.281 1.00 0.00 C ATOM 963 O ARG A 66 5.440 12.860 0.297 1.00 0.00 O ATOM 964 CB ARG A 66 5.530 9.634 0.934 1.00 0.00 C ATOM 965 CG ARG A 66 4.639 8.471 1.333 1.00 0.00 C ATOM 966 CD ARG A 66 3.653 8.927 2.414 1.00 0.00 C ATOM 967 NE ARG A 66 4.457 9.012 3.667 1.00 0.00 N ATOM 968 CZ ARG A 66 3.863 9.221 4.811 1.00 0.00 C ATOM 969 NH1 ARG A 66 3.180 10.317 5.000 1.00 0.00 N ATOM 970 NH2 ARG A 66 3.952 8.335 5.765 1.00 0.00 N ATOM 0 H ARG A 66 4.868 8.892 -1.253 1.00 0.00 H new ATOM 0 HA ARG A 66 3.827 10.952 0.520 1.00 0.00 H new ATOM 0 HB2 ARG A 66 6.410 9.269 0.404 1.00 0.00 H new ATOM 0 HB3 ARG A 66 5.887 10.156 1.822 1.00 0.00 H new ATOM 0 HG2 ARG A 66 4.096 8.101 0.464 1.00 0.00 H new ATOM 0 HG3 ARG A 66 5.246 7.645 1.705 1.00 0.00 H new ATOM 0 HD2 ARG A 66 3.212 9.892 2.163 1.00 0.00 H new ATOM 0 HD3 ARG A 66 2.831 8.219 2.521 1.00 0.00 H new ATOM 0 HE ARG A 66 5.471 8.907 3.630 1.00 0.00 H new ATOM 0 HH11 ARG A 66 3.110 11.010 4.254 1.00 0.00 H new ATOM 0 HH12 ARG A 66 2.716 10.481 5.893 1.00 0.00 H new ATOM 0 HH21 ARG A 66 4.486 7.478 5.617 1.00 0.00 H new ATOM 0 HH22 ARG A 66 3.488 8.499 6.658 1.00 0.00 H new ATOM 984 N GLN A 67 6.551 11.640 -1.165 1.00 0.00 N ATOM 985 CA GLN A 67 7.465 12.770 -1.488 1.00 0.00 C ATOM 986 C GLN A 67 6.726 13.952 -2.127 1.00 0.00 C ATOM 987 O GLN A 67 7.010 15.095 -1.818 1.00 0.00 O ATOM 988 CB GLN A 67 8.494 12.191 -2.463 1.00 0.00 C ATOM 989 CG GLN A 67 9.406 11.213 -1.720 1.00 0.00 C ATOM 990 CD GLN A 67 10.414 10.608 -2.700 1.00 0.00 C ATOM 991 OE1 GLN A 67 10.064 10.260 -3.811 1.00 0.00 O ATOM 992 NE2 GLN A 67 11.658 10.471 -2.335 1.00 0.00 N ATOM 0 H GLN A 67 6.731 10.776 -1.676 1.00 0.00 H new ATOM 0 HA GLN A 67 7.924 13.167 -0.582 1.00 0.00 H new ATOM 0 HB2 GLN A 67 7.988 11.682 -3.283 1.00 0.00 H new ATOM 0 HB3 GLN A 67 9.086 12.994 -2.903 1.00 0.00 H new ATOM 0 HG2 GLN A 67 9.930 11.728 -0.915 1.00 0.00 H new ATOM 0 HG3 GLN A 67 8.812 10.424 -1.260 1.00 0.00 H new ATOM 0 HE21 GLN A 67 11.951 10.763 -1.403 1.00 0.00 H new ATOM 0 HE22 GLN A 67 12.338 10.072 -2.982 1.00 0.00 H new ATOM 1001 N LEU A 68 5.788 13.699 -3.009 1.00 0.00 N ATOM 1002 CA LEU A 68 5.050 14.832 -3.649 1.00 0.00 C ATOM 1003 C LEU A 68 4.048 15.441 -2.656 1.00 0.00 C ATOM 1004 O LEU A 68 3.782 16.628 -2.678 1.00 0.00 O ATOM 1005 CB LEU A 68 4.360 14.241 -4.898 1.00 0.00 C ATOM 1006 CG LEU A 68 3.133 13.402 -4.519 1.00 0.00 C ATOM 1007 CD1 LEU A 68 1.903 14.308 -4.429 1.00 0.00 C ATOM 1008 CD2 LEU A 68 2.899 12.333 -5.589 1.00 0.00 C ATOM 0 H LEU A 68 5.504 12.767 -3.310 1.00 0.00 H new ATOM 0 HA LEU A 68 5.713 15.647 -3.940 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.058 15.049 -5.564 1.00 0.00 H new ATOM 0 HB3 LEU A 68 5.069 13.622 -5.448 1.00 0.00 H new ATOM 0 HG LEU A 68 3.303 12.923 -3.555 1.00 0.00 H new ATOM 0 HD11 LEU A 68 1.031 13.712 -4.160 1.00 0.00 H new ATOM 0 HD12 LEU A 68 2.069 15.072 -3.670 1.00 0.00 H new ATOM 0 HD13 LEU A 68 1.732 14.786 -5.394 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.027 11.735 -5.322 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.728 12.814 -6.552 1.00 0.00 H new ATOM 0 HD23 LEU A 68 3.775 11.688 -5.656 1.00 0.00 H new ATOM 1020 N HIS A 69 3.495 14.630 -1.788 1.00 0.00 N ATOM 1021 CA HIS A 69 2.510 15.144 -0.792 1.00 0.00 C ATOM 1022 C HIS A 69 3.180 15.309 0.576 1.00 0.00 C ATOM 1023 O HIS A 69 3.624 14.348 1.178 1.00 0.00 O ATOM 1024 CB HIS A 69 1.417 14.074 -0.730 1.00 0.00 C ATOM 1025 CG HIS A 69 0.314 14.535 0.181 1.00 0.00 C ATOM 1026 ND1 HIS A 69 0.131 14.004 1.448 1.00 0.00 N ATOM 1027 CD2 HIS A 69 -0.669 15.480 0.025 1.00 0.00 C ATOM 1028 CE1 HIS A 69 -0.925 14.629 2.001 1.00 0.00 C ATOM 1029 NE2 HIS A 69 -1.451 15.538 1.175 1.00 0.00 N ATOM 0 H HIS A 69 3.686 13.630 -1.728 1.00 0.00 H new ATOM 0 HA HIS A 69 2.110 16.119 -1.069 1.00 0.00 H new ATOM 0 HB2 HIS A 69 1.023 13.884 -1.728 1.00 0.00 H new ATOM 0 HB3 HIS A 69 1.834 13.134 -0.367 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -0.814 16.087 -0.857 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -1.301 14.421 2.992 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -2.253 16.144 1.350 1.00 0.00 H new ATOM 1037 N GLU A 70 3.253 16.519 1.070 1.00 0.00 N ATOM 1038 CA GLU A 70 3.891 16.754 2.400 1.00 0.00 C ATOM 1039 C GLU A 70 2.871 17.365 3.369 1.00 0.00 C ATOM 1040 O GLU A 70 2.129 18.262 3.015 1.00 0.00 O ATOM 1041 CB GLU A 70 5.031 17.739 2.126 1.00 0.00 C ATOM 1042 CG GLU A 70 5.767 18.059 3.434 1.00 0.00 C ATOM 1043 CD GLU A 70 6.916 19.045 3.175 1.00 0.00 C ATOM 1044 OE1 GLU A 70 7.222 19.297 2.019 1.00 0.00 O ATOM 1045 OE2 GLU A 70 7.471 19.536 4.145 1.00 0.00 O ATOM 0 H GLU A 70 2.897 17.356 0.608 1.00 0.00 H new ATOM 0 HA GLU A 70 4.253 15.833 2.856 1.00 0.00 H new ATOM 0 HB2 GLU A 70 5.726 17.313 1.402 1.00 0.00 H new ATOM 0 HB3 GLU A 70 4.635 18.655 1.687 1.00 0.00 H new ATOM 0 HG2 GLU A 70 5.070 18.485 4.156 1.00 0.00 H new ATOM 0 HG3 GLU A 70 6.159 17.141 3.872 1.00 0.00 H new ATOM 1052 N PHE A 71 2.835 16.886 4.586 1.00 0.00 N ATOM 1053 CA PHE A 71 1.868 17.435 5.585 1.00 0.00 C ATOM 1054 C PHE A 71 2.430 18.711 6.217 1.00 0.00 C ATOM 1055 O PHE A 71 2.132 19.810 5.793 1.00 0.00 O ATOM 1056 CB PHE A 71 1.721 16.338 6.640 1.00 0.00 C ATOM 1057 CG PHE A 71 0.633 15.375 6.225 1.00 0.00 C ATOM 1058 CD1 PHE A 71 -0.692 15.604 6.618 1.00 0.00 C ATOM 1059 CD2 PHE A 71 0.947 14.255 5.445 1.00 0.00 C ATOM 1060 CE1 PHE A 71 -1.701 14.714 6.233 1.00 0.00 C ATOM 1061 CE2 PHE A 71 -0.063 13.365 5.061 1.00 0.00 C ATOM 1062 CZ PHE A 71 -1.387 13.594 5.455 1.00 0.00 C ATOM 0 H PHE A 71 3.435 16.137 4.932 1.00 0.00 H new ATOM 0 HA PHE A 71 0.912 17.697 5.132 1.00 0.00 H new ATOM 0 HB2 PHE A 71 2.665 15.806 6.759 1.00 0.00 H new ATOM 0 HB3 PHE A 71 1.480 16.780 7.607 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -0.935 16.468 7.219 1.00 0.00 H new ATOM 0 HD2 PHE A 71 1.968 14.078 5.140 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -2.722 14.892 6.536 1.00 0.00 H new ATOM 0 HE2 PHE A 71 0.179 12.501 4.460 1.00 0.00 H new ATOM 0 HZ PHE A 71 -2.165 12.907 5.159 1.00 0.00 H new TER 1072 PHE A 71