USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 577 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ALA N :NH3+ 143:sc= -1.4 (180deg=-4.46!) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ -161:sc= 0.796 (180deg=0.54) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.00551 USER MOD Single : A 45 GLN : amide:sc= -1.21 K(o=-1.2,f=-0.16) USER MOD Single : A 48 ASN : amide:sc= -0.294 K(o=-0.29,f=-2!) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.058 X(o=-0.058,f=0.4) USER MOD Single : A 56 SER OG : rot 180:sc= -0.267 USER MOD Single : A 58 GLN : amide:sc= -4.41 K(o=-4.4,f=-3.5!) USER MOD Single : A 59 LYS NZ :NH3+ 143:sc= -0.266 (180deg=-1.86) USER MOD Single : A 63 SER OG : rot -175:sc= -0.732 USER MOD Single : A 75 SER OG : rot -60:sc= 1.22 USER MOD Single : A 92 SER OG : rot -6:sc= -1.86! USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -8.130 4.733 -8.643 1.00 0.00 N ATOM 2 CA ALA A 1 -8.450 5.598 -9.812 1.00 0.00 C ATOM 3 C ALA A 1 -9.104 6.900 -9.362 1.00 0.00 C ATOM 4 O ALA A 1 -8.591 7.988 -9.624 1.00 0.00 O ATOM 5 CB ALA A 1 -9.361 4.865 -10.788 1.00 0.00 C ATOM 0 H1 ALA A 1 -8.292 3.737 -8.894 1.00 0.00 H new ATOM 0 H2 ALA A 1 -7.134 4.865 -8.376 1.00 0.00 H new ATOM 0 H3 ALA A 1 -8.741 4.992 -7.842 1.00 0.00 H new ATOM 0 HA ALA A 1 -7.515 5.838 -10.318 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -9.583 5.514 -11.635 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -8.863 3.963 -11.143 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -10.289 4.594 -10.285 1.00 0.00 H new ATOM 13 N VAL A 2 -10.244 6.783 -8.686 1.00 0.00 N ATOM 14 CA VAL A 2 -10.969 7.955 -8.209 1.00 0.00 C ATOM 15 C VAL A 2 -10.418 8.466 -6.877 1.00 0.00 C ATOM 16 O VAL A 2 -9.990 7.689 -6.024 1.00 0.00 O ATOM 17 CB VAL A 2 -12.472 7.666 -8.051 1.00 0.00 C ATOM 18 CG1 VAL A 2 -13.140 7.556 -9.413 1.00 0.00 C ATOM 19 CG2 VAL A 2 -12.697 6.405 -7.231 1.00 0.00 C ATOM 0 H VAL A 2 -10.684 5.891 -8.457 1.00 0.00 H new ATOM 0 HA VAL A 2 -10.829 8.726 -8.967 1.00 0.00 H new ATOM 0 HB VAL A 2 -12.927 8.499 -7.515 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -14.203 7.351 -9.282 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -13.015 8.493 -9.956 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -12.682 6.745 -9.979 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -13.767 6.221 -7.133 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -12.227 5.558 -7.730 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -12.258 6.531 -6.241 1.00 0.00 H new ATOM 29 N LEU A 3 -10.414 9.786 -6.726 1.00 0.00 N ATOM 30 CA LEU A 3 -9.911 10.442 -5.545 1.00 0.00 C ATOM 31 C LEU A 3 -10.848 10.332 -4.365 1.00 0.00 C ATOM 32 O LEU A 3 -11.971 9.842 -4.473 1.00 0.00 O ATOM 33 CB LEU A 3 -9.708 11.931 -5.839 1.00 0.00 C ATOM 34 CG LEU A 3 -8.270 12.356 -6.137 1.00 0.00 C ATOM 35 CD1 LEU A 3 -7.324 11.326 -5.581 1.00 0.00 C ATOM 36 CD2 LEU A 3 -8.056 12.545 -7.639 1.00 0.00 C ATOM 0 H LEU A 3 -10.766 10.430 -7.434 1.00 0.00 H new ATOM 0 HA LEU A 3 -8.976 9.945 -5.288 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -10.332 12.203 -6.690 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -10.067 12.504 -4.984 1.00 0.00 H new ATOM 0 HG LEU A 3 -8.073 13.316 -5.659 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -6.297 11.624 -5.791 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -7.466 11.246 -4.503 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -7.523 10.360 -6.046 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -7.025 12.847 -7.824 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -8.258 11.607 -8.156 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -8.732 13.316 -8.009 1.00 0.00 H new ATOM 48 N ASP A 4 -10.373 10.847 -3.238 1.00 0.00 N ATOM 49 CA ASP A 4 -11.154 10.870 -2.033 1.00 0.00 C ATOM 50 C ASP A 4 -12.162 12.017 -2.146 1.00 0.00 C ATOM 51 O ASP A 4 -12.698 12.255 -3.228 1.00 0.00 O ATOM 52 CB ASP A 4 -10.248 11.040 -0.806 1.00 0.00 C ATOM 53 CG ASP A 4 -10.933 10.639 0.488 1.00 0.00 C ATOM 54 OD1 ASP A 4 -11.711 9.662 0.474 1.00 0.00 O ATOM 55 OD2 ASP A 4 -10.698 11.312 1.515 1.00 0.00 O ATOM 0 H ASP A 4 -9.442 11.254 -3.145 1.00 0.00 H new ATOM 0 HA ASP A 4 -11.686 9.927 -1.906 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -9.348 10.439 -0.938 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -9.929 12.080 -0.736 1.00 0.00 H new ATOM 60 N LEU A 5 -12.410 12.743 -1.063 1.00 0.00 N ATOM 61 CA LEU A 5 -13.317 13.849 -1.102 1.00 0.00 C ATOM 62 C LEU A 5 -12.544 15.122 -1.429 1.00 0.00 C ATOM 63 O LEU A 5 -11.827 15.164 -2.429 1.00 0.00 O ATOM 64 CB LEU A 5 -14.072 13.924 0.226 1.00 0.00 C ATOM 65 CG LEU A 5 -13.229 13.756 1.502 1.00 0.00 C ATOM 66 CD1 LEU A 5 -12.972 15.091 2.171 1.00 0.00 C ATOM 67 CD2 LEU A 5 -13.921 12.811 2.473 1.00 0.00 C ATOM 0 H LEU A 5 -11.987 12.573 -0.151 1.00 0.00 H new ATOM 0 HA LEU A 5 -14.063 13.721 -1.887 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -14.580 14.887 0.276 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -14.845 13.156 0.223 1.00 0.00 H new ATOM 0 HG LEU A 5 -12.268 13.330 1.213 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -12.374 14.939 3.069 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -12.435 15.745 1.484 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -13.922 15.551 2.441 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -13.313 12.702 3.371 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -14.896 13.216 2.743 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -14.051 11.836 2.002 1.00 0.00 H new ATOM 79 N ASP A 6 -12.635 16.140 -0.581 1.00 0.00 N ATOM 80 CA ASP A 6 -11.887 17.353 -0.810 1.00 0.00 C ATOM 81 C ASP A 6 -10.427 17.020 -0.602 1.00 0.00 C ATOM 82 O ASP A 6 -9.574 17.294 -1.446 1.00 0.00 O ATOM 83 CB ASP A 6 -12.338 18.462 0.145 1.00 0.00 C ATOM 84 CG ASP A 6 -12.772 19.715 -0.589 1.00 0.00 C ATOM 85 OD1 ASP A 6 -12.087 20.100 -1.560 1.00 0.00 O ATOM 86 OD2 ASP A 6 -13.796 20.310 -0.194 1.00 0.00 O ATOM 0 H ASP A 6 -13.214 16.143 0.259 1.00 0.00 H new ATOM 0 HA ASP A 6 -12.055 17.723 -1.821 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -13.164 18.098 0.756 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -11.522 18.707 0.825 1.00 0.00 H new ATOM 91 N VAL A 7 -10.173 16.349 0.503 1.00 0.00 N ATOM 92 CA VAL A 7 -8.852 15.881 0.822 1.00 0.00 C ATOM 93 C VAL A 7 -8.633 14.527 0.158 1.00 0.00 C ATOM 94 O VAL A 7 -8.966 13.487 0.725 1.00 0.00 O ATOM 95 CB VAL A 7 -8.619 15.736 2.339 1.00 0.00 C ATOM 96 CG1 VAL A 7 -8.562 17.097 3.015 1.00 0.00 C ATOM 97 CG2 VAL A 7 -9.692 14.859 2.975 1.00 0.00 C ATOM 0 H VAL A 7 -10.880 16.116 1.200 1.00 0.00 H new ATOM 0 HA VAL A 7 -8.146 16.624 0.453 1.00 0.00 H new ATOM 0 HB VAL A 7 -7.655 15.248 2.483 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -8.397 16.965 4.084 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -7.745 17.680 2.591 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -9.504 17.622 2.855 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -9.504 14.773 4.045 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -10.672 15.308 2.813 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -9.668 13.868 2.522 1.00 0.00 H new ATOM 107 N ARG A 8 -8.115 14.549 -1.060 1.00 0.00 N ATOM 108 CA ARG A 8 -7.888 13.364 -1.821 1.00 0.00 C ATOM 109 C ARG A 8 -6.766 12.523 -1.230 1.00 0.00 C ATOM 110 O ARG A 8 -6.342 12.745 -0.096 1.00 0.00 O ATOM 111 CB ARG A 8 -7.591 13.803 -3.246 1.00 0.00 C ATOM 112 CG ARG A 8 -8.717 14.642 -3.824 1.00 0.00 C ATOM 113 CD ARG A 8 -8.232 15.557 -4.932 1.00 0.00 C ATOM 114 NE ARG A 8 -9.338 16.268 -5.572 1.00 0.00 N ATOM 115 CZ ARG A 8 -9.894 17.379 -5.089 1.00 0.00 C ATOM 116 NH1 ARG A 8 -9.458 17.911 -3.955 1.00 0.00 N ATOM 117 NH2 ARG A 8 -10.897 17.956 -5.741 1.00 0.00 N ATOM 0 H ARG A 8 -7.843 15.407 -1.539 1.00 0.00 H new ATOM 0 HA ARG A 8 -8.767 12.720 -1.804 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -6.664 14.377 -3.264 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -7.434 12.924 -3.872 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -9.496 13.986 -4.211 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -9.168 15.239 -3.032 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -7.524 16.278 -4.524 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -7.696 14.971 -5.679 1.00 0.00 H new ATOM 0 HE ARG A 8 -9.708 15.889 -6.444 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -8.692 17.470 -3.446 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -9.889 18.761 -3.592 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -11.241 17.549 -6.611 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -11.323 18.806 -5.372 1.00 0.00 H new ATOM 131 N THR A 9 -6.319 11.534 -1.988 1.00 0.00 N ATOM 132 CA THR A 9 -5.280 10.631 -1.530 1.00 0.00 C ATOM 133 C THR A 9 -5.806 9.780 -0.379 1.00 0.00 C ATOM 134 O THR A 9 -6.082 10.288 0.707 1.00 0.00 O ATOM 135 CB THR A 9 -4.034 11.406 -1.123 1.00 0.00 C ATOM 136 OG1 THR A 9 -3.235 11.693 -2.256 1.00 0.00 O ATOM 137 CG2 THR A 9 -3.152 10.695 -0.114 1.00 0.00 C ATOM 0 H THR A 9 -6.663 11.337 -2.928 1.00 0.00 H new ATOM 0 HA THR A 9 -4.999 9.967 -2.348 1.00 0.00 H new ATOM 0 HB THR A 9 -4.417 12.312 -0.653 1.00 0.00 H new ATOM 0 HG1 THR A 9 -2.439 12.193 -1.977 1.00 0.00 H new ATOM 0 HG21 THR A 9 -2.289 11.319 0.118 1.00 0.00 H new ATOM 0 HG22 THR A 9 -3.720 10.508 0.797 1.00 0.00 H new ATOM 0 HG23 THR A 9 -2.813 9.747 -0.532 1.00 0.00 H new ATOM 145 N CYS A 10 -5.962 8.488 -0.641 1.00 0.00 N ATOM 146 CA CYS A 10 -6.480 7.547 0.350 1.00 0.00 C ATOM 147 C CYS A 10 -5.786 7.689 1.700 1.00 0.00 C ATOM 148 O CYS A 10 -4.917 8.540 1.887 1.00 0.00 O ATOM 149 CB CYS A 10 -6.326 6.116 -0.165 1.00 0.00 C ATOM 150 SG CYS A 10 -7.723 5.002 0.216 1.00 0.00 S ATOM 0 H CYS A 10 -5.735 8.063 -1.540 1.00 0.00 H new ATOM 0 HA CYS A 10 -7.535 7.778 0.500 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -6.191 6.148 -1.246 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -5.416 5.690 0.257 1.00 0.00 H new ATOM 155 N LEU A 11 -6.193 6.847 2.641 1.00 0.00 N ATOM 156 CA LEU A 11 -5.637 6.869 3.984 1.00 0.00 C ATOM 157 C LEU A 11 -4.181 6.401 4.002 1.00 0.00 C ATOM 158 O LEU A 11 -3.873 5.258 3.641 1.00 0.00 O ATOM 159 CB LEU A 11 -6.474 5.986 4.907 1.00 0.00 C ATOM 160 CG LEU A 11 -7.739 6.643 5.459 1.00 0.00 C ATOM 161 CD1 LEU A 11 -8.674 7.039 4.327 1.00 0.00 C ATOM 162 CD2 LEU A 11 -8.438 5.702 6.427 1.00 0.00 C ATOM 0 H LEU A 11 -6.911 6.137 2.496 1.00 0.00 H new ATOM 0 HA LEU A 11 -5.662 7.900 4.337 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -6.758 5.085 4.363 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -5.852 5.670 5.744 1.00 0.00 H new ATOM 0 HG LEU A 11 -7.455 7.548 5.997 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -9.569 7.505 4.740 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -8.169 7.745 3.668 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -8.956 6.151 3.761 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -9.338 6.181 6.814 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -8.710 4.783 5.908 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -7.768 5.467 7.254 1.00 0.00 H new ATOM 174 N PRO A 12 -3.256 7.285 4.429 1.00 0.00 N ATOM 175 CA PRO A 12 -1.837 6.953 4.503 1.00 0.00 C ATOM 176 C PRO A 12 -1.571 5.765 5.412 1.00 0.00 C ATOM 177 O PRO A 12 -2.495 5.133 5.928 1.00 0.00 O ATOM 178 CB PRO A 12 -1.176 8.203 5.097 1.00 0.00 C ATOM 179 CG PRO A 12 -2.169 9.304 4.985 1.00 0.00 C ATOM 180 CD PRO A 12 -3.531 8.667 4.871 1.00 0.00 C ATOM 0 HA PRO A 12 -1.452 6.679 3.521 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -0.898 8.037 6.138 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -0.261 8.450 4.558 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -2.121 9.956 5.858 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -1.960 9.923 4.113 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -4.057 8.681 5.825 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -4.158 9.196 4.153 1.00 0.00 H new ATOM 188 N CYS A 13 -0.295 5.487 5.618 1.00 0.00 N ATOM 189 CA CYS A 13 0.121 4.397 6.455 1.00 0.00 C ATOM 190 C CYS A 13 1.527 4.619 6.983 1.00 0.00 C ATOM 191 O CYS A 13 2.148 5.647 6.709 1.00 0.00 O ATOM 192 CB CYS A 13 0.061 3.099 5.674 1.00 0.00 C ATOM 193 SG CYS A 13 -0.289 1.640 6.690 1.00 0.00 S ATOM 0 H CYS A 13 0.474 6.016 5.206 1.00 0.00 H new ATOM 0 HA CYS A 13 -0.557 4.341 7.307 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -0.706 3.185 4.905 1.00 0.00 H new ATOM 0 HB3 CYS A 13 1.011 2.952 5.161 1.00 0.00 H new ATOM 198 N GLY A 14 2.038 3.639 7.715 1.00 0.00 N ATOM 199 CA GLY A 14 3.375 3.739 8.236 1.00 0.00 C ATOM 200 C GLY A 14 3.581 4.910 9.177 1.00 0.00 C ATOM 201 O GLY A 14 2.804 5.135 10.105 1.00 0.00 O ATOM 0 H GLY A 14 1.546 2.778 7.954 1.00 0.00 H new ATOM 0 HA2 GLY A 14 3.620 2.816 8.761 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.073 3.827 7.404 1.00 0.00 H new ATOM 205 N PRO A 15 4.670 5.643 8.955 1.00 0.00 N ATOM 206 CA PRO A 15 5.082 6.786 9.756 1.00 0.00 C ATOM 207 C PRO A 15 4.554 8.108 9.201 1.00 0.00 C ATOM 208 O PRO A 15 5.103 8.656 8.245 1.00 0.00 O ATOM 209 CB PRO A 15 6.595 6.681 9.599 1.00 0.00 C ATOM 210 CG PRO A 15 6.760 6.321 8.172 1.00 0.00 C ATOM 211 CD PRO A 15 5.636 5.367 7.890 1.00 0.00 C ATOM 0 HA PRO A 15 4.715 6.775 10.782 1.00 0.00 H new ATOM 0 HB2 PRO A 15 7.091 7.622 9.837 1.00 0.00 H new ATOM 0 HB3 PRO A 15 7.017 5.922 10.258 1.00 0.00 H new ATOM 0 HG2 PRO A 15 6.703 7.201 7.532 1.00 0.00 H new ATOM 0 HG3 PRO A 15 7.729 5.857 7.990 1.00 0.00 H new ATOM 0 HD2 PRO A 15 5.204 5.538 6.904 1.00 0.00 H new ATOM 0 HD3 PRO A 15 5.974 4.331 7.915 1.00 0.00 H new ATOM 219 N GLY A 16 3.479 8.612 9.802 1.00 0.00 N ATOM 220 CA GLY A 16 2.890 9.861 9.347 1.00 0.00 C ATOM 221 C GLY A 16 1.931 9.647 8.193 1.00 0.00 C ATOM 222 O GLY A 16 0.719 9.800 8.343 1.00 0.00 O ATOM 0 H GLY A 16 3.006 8.179 10.595 1.00 0.00 H new ATOM 0 HA2 GLY A 16 2.362 10.336 10.174 1.00 0.00 H new ATOM 0 HA3 GLY A 16 3.681 10.545 9.039 1.00 0.00 H new ATOM 226 N GLY A 17 2.479 9.262 7.044 1.00 0.00 N ATOM 227 CA GLY A 17 1.673 8.996 5.875 1.00 0.00 C ATOM 228 C GLY A 17 2.497 8.604 4.674 1.00 0.00 C ATOM 229 O GLY A 17 2.134 8.878 3.529 1.00 0.00 O ATOM 0 H GLY A 17 3.481 9.129 6.906 1.00 0.00 H new ATOM 0 HA2 GLY A 17 0.966 8.198 6.101 1.00 0.00 H new ATOM 0 HA3 GLY A 17 1.087 9.883 5.634 1.00 0.00 H new ATOM 233 N LYS A 18 3.605 7.950 4.953 1.00 0.00 N ATOM 234 CA LYS A 18 4.517 7.482 3.940 1.00 0.00 C ATOM 235 C LYS A 18 3.904 6.311 3.199 1.00 0.00 C ATOM 236 O LYS A 18 4.042 6.169 1.983 1.00 0.00 O ATOM 237 CB LYS A 18 5.820 7.063 4.617 1.00 0.00 C ATOM 238 CG LYS A 18 6.922 8.099 4.581 1.00 0.00 C ATOM 239 CD LYS A 18 6.344 9.489 4.590 1.00 0.00 C ATOM 240 CE LYS A 18 7.423 10.555 4.546 1.00 0.00 C ATOM 241 NZ LYS A 18 7.675 11.019 3.155 1.00 0.00 N ATOM 0 H LYS A 18 3.898 7.727 5.904 1.00 0.00 H new ATOM 0 HA LYS A 18 4.719 8.274 3.219 1.00 0.00 H new ATOM 0 HB2 LYS A 18 5.608 6.816 5.657 1.00 0.00 H new ATOM 0 HB3 LYS A 18 6.183 6.152 4.141 1.00 0.00 H new ATOM 0 HG2 LYS A 18 7.580 7.968 5.440 1.00 0.00 H new ATOM 0 HG3 LYS A 18 7.531 7.959 3.688 1.00 0.00 H new ATOM 0 HD2 LYS A 18 5.680 9.611 3.735 1.00 0.00 H new ATOM 0 HD3 LYS A 18 5.738 9.624 5.486 1.00 0.00 H new ATOM 0 HE2 LYS A 18 7.125 11.402 5.165 1.00 0.00 H new ATOM 0 HE3 LYS A 18 8.345 10.159 4.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 8.603 11.487 3.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 7.665 10.203 2.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 6.933 11.692 2.874 1.00 0.00 H new ATOM 255 N GLY A 19 3.211 5.492 3.960 1.00 0.00 N ATOM 256 CA GLY A 19 2.544 4.342 3.419 1.00 0.00 C ATOM 257 C GLY A 19 1.059 4.586 3.239 1.00 0.00 C ATOM 258 O GLY A 19 0.573 5.692 3.479 1.00 0.00 O ATOM 0 H GLY A 19 3.098 5.609 4.967 1.00 0.00 H new ATOM 0 HA2 GLY A 19 2.989 4.082 2.458 1.00 0.00 H new ATOM 0 HA3 GLY A 19 2.695 3.489 4.081 1.00 0.00 H new ATOM 262 N ARG A 20 0.337 3.564 2.811 1.00 0.00 N ATOM 263 CA ARG A 20 -1.087 3.681 2.593 1.00 0.00 C ATOM 264 C ARG A 20 -1.736 2.306 2.536 1.00 0.00 C ATOM 265 O ARG A 20 -1.058 1.283 2.642 1.00 0.00 O ATOM 266 CB ARG A 20 -1.341 4.437 1.298 1.00 0.00 C ATOM 267 CG ARG A 20 -0.938 3.657 0.065 1.00 0.00 C ATOM 268 CD ARG A 20 -1.990 3.772 -1.020 1.00 0.00 C ATOM 269 NE ARG A 20 -1.590 4.696 -2.077 1.00 0.00 N ATOM 270 CZ ARG A 20 -1.809 6.008 -2.038 1.00 0.00 C ATOM 271 NH1 ARG A 20 -2.413 6.556 -0.990 1.00 0.00 N ATOM 272 NH2 ARG A 20 -1.423 6.777 -3.047 1.00 0.00 N ATOM 0 H ARG A 20 0.720 2.641 2.608 1.00 0.00 H new ATOM 0 HA ARG A 20 -1.528 4.230 3.425 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -2.400 4.687 1.232 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -0.792 5.378 1.320 1.00 0.00 H new ATOM 0 HG2 ARG A 20 0.016 4.028 -0.308 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -0.792 2.609 0.325 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -2.175 2.788 -1.450 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -2.928 4.109 -0.580 1.00 0.00 H new ATOM 0 HE ARG A 20 -1.114 4.313 -2.894 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -2.712 5.971 -0.210 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -2.578 7.562 -0.965 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -0.957 6.363 -3.855 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -1.592 7.782 -3.015 1.00 0.00 H new ATOM 286 N CYS A 21 -3.041 2.288 2.327 1.00 0.00 N ATOM 287 CA CYS A 21 -3.772 1.046 2.212 1.00 0.00 C ATOM 288 C CYS A 21 -3.610 0.495 0.803 1.00 0.00 C ATOM 289 O CYS A 21 -3.505 1.258 -0.159 1.00 0.00 O ATOM 290 CB CYS A 21 -5.232 1.302 2.518 1.00 0.00 C ATOM 291 SG CYS A 21 -5.646 1.236 4.293 1.00 0.00 S ATOM 0 H CYS A 21 -3.615 3.126 2.234 1.00 0.00 H new ATOM 0 HA CYS A 21 -3.384 0.314 2.920 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -5.507 2.282 2.128 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -5.837 0.567 1.988 1.00 0.00 H new ATOM 296 N PHE A 22 -3.548 -0.822 0.680 1.00 0.00 N ATOM 297 CA PHE A 22 -3.346 -1.445 -0.626 1.00 0.00 C ATOM 298 C PHE A 22 -4.489 -2.374 -1.040 1.00 0.00 C ATOM 299 O PHE A 22 -4.913 -2.351 -2.195 1.00 0.00 O ATOM 300 CB PHE A 22 -2.028 -2.209 -0.608 1.00 0.00 C ATOM 301 CG PHE A 22 -0.860 -1.347 -0.972 1.00 0.00 C ATOM 302 CD1 PHE A 22 -0.581 -0.194 -0.249 1.00 0.00 C ATOM 303 CD2 PHE A 22 -0.048 -1.681 -2.041 1.00 0.00 C ATOM 304 CE1 PHE A 22 0.494 0.603 -0.590 1.00 0.00 C ATOM 305 CE2 PHE A 22 1.025 -0.890 -2.386 1.00 0.00 C ATOM 306 CZ PHE A 22 1.300 0.254 -1.660 1.00 0.00 C ATOM 0 H PHE A 22 -3.633 -1.477 1.457 1.00 0.00 H new ATOM 0 HA PHE A 22 -3.322 -0.647 -1.369 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -1.869 -2.630 0.385 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -2.088 -3.046 -1.303 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -1.209 0.081 0.585 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -0.258 -2.573 -2.612 1.00 0.00 H new ATOM 0 HE1 PHE A 22 0.706 1.497 -0.023 1.00 0.00 H new ATOM 0 HE2 PHE A 22 1.651 -1.163 -3.223 1.00 0.00 H new ATOM 0 HZ PHE A 22 2.143 0.875 -1.927 1.00 0.00 H new ATOM 316 N GLY A 23 -4.980 -3.201 -0.119 1.00 0.00 N ATOM 317 CA GLY A 23 -6.054 -4.114 -0.471 1.00 0.00 C ATOM 318 C GLY A 23 -6.762 -4.737 0.723 1.00 0.00 C ATOM 319 O GLY A 23 -7.705 -4.152 1.256 1.00 0.00 O ATOM 0 H GLY A 23 -4.660 -3.255 0.848 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -6.787 -3.579 -1.075 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -5.648 -4.911 -1.094 1.00 0.00 H new ATOM 323 N PRO A 24 -6.355 -5.951 1.141 1.00 0.00 N ATOM 324 CA PRO A 24 -6.977 -6.674 2.242 1.00 0.00 C ATOM 325 C PRO A 24 -6.185 -6.601 3.544 1.00 0.00 C ATOM 326 O PRO A 24 -5.173 -7.283 3.694 1.00 0.00 O ATOM 327 CB PRO A 24 -6.941 -8.094 1.692 1.00 0.00 C ATOM 328 CG PRO A 24 -5.634 -8.173 0.963 1.00 0.00 C ATOM 329 CD PRO A 24 -5.275 -6.759 0.550 1.00 0.00 C ATOM 0 HA PRO A 24 -7.958 -6.281 2.509 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -6.996 -8.832 2.492 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -7.781 -8.284 1.024 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -4.860 -8.597 1.603 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -5.717 -8.821 0.091 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -4.297 -6.464 0.931 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -5.240 -6.653 -0.534 1.00 0.00 H new ATOM 337 N SER A 25 -6.642 -5.778 4.491 1.00 0.00 N ATOM 338 CA SER A 25 -5.949 -5.647 5.778 1.00 0.00 C ATOM 339 C SER A 25 -4.463 -5.433 5.565 1.00 0.00 C ATOM 340 O SER A 25 -3.645 -5.795 6.409 1.00 0.00 O ATOM 341 CB SER A 25 -6.140 -6.911 6.612 1.00 0.00 C ATOM 342 OG SER A 25 -6.348 -6.594 7.977 1.00 0.00 O ATOM 0 H SER A 25 -7.477 -5.199 4.395 1.00 0.00 H new ATOM 0 HA SER A 25 -6.372 -4.788 6.299 1.00 0.00 H new ATOM 0 HB2 SER A 25 -6.992 -7.476 6.233 1.00 0.00 H new ATOM 0 HB3 SER A 25 -5.264 -7.551 6.514 1.00 0.00 H new ATOM 0 HG SER A 25 -6.469 -7.420 8.490 1.00 0.00 H new ATOM 348 N ILE A 26 -4.117 -4.892 4.415 1.00 0.00 N ATOM 349 CA ILE A 26 -2.732 -4.693 4.075 1.00 0.00 C ATOM 350 C ILE A 26 -2.353 -3.221 3.975 1.00 0.00 C ATOM 351 O ILE A 26 -3.198 -2.343 3.795 1.00 0.00 O ATOM 352 CB ILE A 26 -2.423 -5.402 2.749 1.00 0.00 C ATOM 353 CG1 ILE A 26 -1.023 -5.958 2.743 1.00 0.00 C ATOM 354 CG2 ILE A 26 -2.591 -4.455 1.584 1.00 0.00 C ATOM 355 CD1 ILE A 26 -0.902 -7.186 1.871 1.00 0.00 C ATOM 0 H ILE A 26 -4.779 -4.584 3.703 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.136 -5.119 4.882 1.00 0.00 H new ATOM 0 HB ILE A 26 -3.129 -6.226 2.647 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.331 -5.193 2.389 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -0.728 -6.207 3.762 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -2.367 -4.978 0.654 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -3.618 -4.090 1.557 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.910 -3.612 1.699 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.125 -7.552 1.898 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.573 -7.962 2.240 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.170 -6.932 0.845 1.00 0.00 H new ATOM 367 N CYS A 27 -1.059 -2.988 4.071 1.00 0.00 N ATOM 368 CA CYS A 27 -0.477 -1.668 3.987 1.00 0.00 C ATOM 369 C CYS A 27 0.947 -1.810 3.483 1.00 0.00 C ATOM 370 O CYS A 27 1.659 -2.723 3.902 1.00 0.00 O ATOM 371 CB CYS A 27 -0.466 -1.023 5.349 1.00 0.00 C ATOM 372 SG CYS A 27 -1.432 0.505 5.469 1.00 0.00 S ATOM 0 H CYS A 27 -0.371 -3.728 4.212 1.00 0.00 H new ATOM 0 HA CYS A 27 -1.061 -1.045 3.310 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -0.849 -1.737 6.078 1.00 0.00 H new ATOM 0 HB3 CYS A 27 0.566 -0.807 5.626 1.00 0.00 H new ATOM 377 N CYS A 28 1.363 -0.956 2.570 1.00 0.00 N ATOM 378 CA CYS A 28 2.665 -1.078 2.024 1.00 0.00 C ATOM 379 C CYS A 28 3.259 0.257 1.641 1.00 0.00 C ATOM 380 O CYS A 28 2.739 0.937 0.756 1.00 0.00 O ATOM 381 CB CYS A 28 2.545 -1.964 0.822 1.00 0.00 C ATOM 382 SG CYS A 28 2.728 -3.733 1.198 1.00 0.00 S ATOM 0 H CYS A 28 0.810 -0.181 2.204 1.00 0.00 H new ATOM 0 HA CYS A 28 3.339 -1.499 2.770 1.00 0.00 H new ATOM 0 HB2 CYS A 28 1.574 -1.799 0.356 1.00 0.00 H new ATOM 0 HB3 CYS A 28 3.302 -1.676 0.092 1.00 0.00 H new ATOM 387 N GLY A 29 4.355 0.638 2.275 1.00 0.00 N ATOM 388 CA GLY A 29 4.966 1.856 1.931 1.00 0.00 C ATOM 389 C GLY A 29 6.217 1.601 1.121 1.00 0.00 C ATOM 390 O GLY A 29 7.115 0.933 1.607 1.00 0.00 O ATOM 0 H GLY A 29 4.815 0.111 3.017 1.00 0.00 H new ATOM 0 HA2 GLY A 29 4.272 2.471 1.358 1.00 0.00 H new ATOM 0 HA3 GLY A 29 5.216 2.414 2.834 1.00 0.00 H new ATOM 394 N ASP A 30 6.286 2.092 -0.116 1.00 0.00 N ATOM 395 CA ASP A 30 7.461 1.862 -0.950 1.00 0.00 C ATOM 396 C ASP A 30 8.672 2.404 -0.221 1.00 0.00 C ATOM 397 O ASP A 30 9.599 1.668 0.110 1.00 0.00 O ATOM 398 CB ASP A 30 7.315 2.578 -2.293 1.00 0.00 C ATOM 399 CG ASP A 30 8.473 2.283 -3.224 1.00 0.00 C ATOM 400 OD1 ASP A 30 9.619 2.629 -2.871 1.00 0.00 O ATOM 401 OD2 ASP A 30 8.234 1.711 -4.309 1.00 0.00 O ATOM 0 H ASP A 30 5.551 2.645 -0.557 1.00 0.00 H new ATOM 0 HA ASP A 30 7.570 0.794 -1.140 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.382 2.272 -2.767 1.00 0.00 H new ATOM 0 HB3 ASP A 30 7.250 3.653 -2.125 1.00 0.00 H new ATOM 406 N GLU A 31 8.613 3.673 0.108 1.00 0.00 N ATOM 407 CA GLU A 31 9.642 4.293 0.895 1.00 0.00 C ATOM 408 C GLU A 31 9.350 3.997 2.359 1.00 0.00 C ATOM 409 O GLU A 31 9.662 4.799 3.241 1.00 0.00 O ATOM 410 CB GLU A 31 9.623 5.798 0.671 1.00 0.00 C ATOM 411 CG GLU A 31 8.283 6.433 1.014 1.00 0.00 C ATOM 412 CD GLU A 31 8.437 7.808 1.627 1.00 0.00 C ATOM 413 OE1 GLU A 31 9.428 8.027 2.353 1.00 0.00 O ATOM 414 OE2 GLU A 31 7.564 8.668 1.383 1.00 0.00 O ATOM 0 H GLU A 31 7.854 4.298 -0.162 1.00 0.00 H new ATOM 0 HA GLU A 31 10.621 3.907 0.611 1.00 0.00 H new ATOM 0 HB2 GLU A 31 10.403 6.260 1.276 1.00 0.00 H new ATOM 0 HB3 GLU A 31 9.862 6.008 -0.372 1.00 0.00 H new ATOM 0 HG2 GLU A 31 7.677 6.506 0.111 1.00 0.00 H new ATOM 0 HG3 GLU A 31 7.745 5.787 1.708 1.00 0.00 H new ATOM 421 N LEU A 32 8.657 2.881 2.601 1.00 0.00 N ATOM 422 CA LEU A 32 8.224 2.538 3.936 1.00 0.00 C ATOM 423 C LEU A 32 7.902 1.048 4.084 1.00 0.00 C ATOM 424 O LEU A 32 7.026 0.670 4.843 1.00 0.00 O ATOM 425 CB LEU A 32 7.003 3.404 4.193 1.00 0.00 C ATOM 426 CG LEU A 32 6.316 3.306 5.543 1.00 0.00 C ATOM 427 CD1 LEU A 32 4.979 2.633 5.362 1.00 0.00 C ATOM 428 CD2 LEU A 32 7.164 2.590 6.594 1.00 0.00 C ATOM 0 H LEU A 32 8.390 2.208 1.883 1.00 0.00 H new ATOM 0 HA LEU A 32 9.014 2.721 4.664 1.00 0.00 H new ATOM 0 HB2 LEU A 32 7.297 4.443 4.045 1.00 0.00 H new ATOM 0 HB3 LEU A 32 6.264 3.170 3.427 1.00 0.00 H new ATOM 0 HG LEU A 32 6.173 4.317 5.926 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.476 2.557 6.326 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.366 3.220 4.678 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.127 1.635 4.951 1.00 0.00 H new ATOM 0 HD21 LEU A 32 6.619 2.552 7.537 1.00 0.00 H new ATOM 0 HD22 LEU A 32 7.380 1.576 6.258 1.00 0.00 H new ATOM 0 HD23 LEU A 32 8.099 3.131 6.737 1.00 0.00 H new ATOM 440 N GLY A 33 8.628 0.215 3.354 1.00 0.00 N ATOM 441 CA GLY A 33 8.433 -1.232 3.410 1.00 0.00 C ATOM 442 C GLY A 33 6.970 -1.689 3.478 1.00 0.00 C ATOM 443 O GLY A 33 6.044 -0.874 3.487 1.00 0.00 O ATOM 0 H GLY A 33 9.362 0.515 2.712 1.00 0.00 H new ATOM 0 HA2 GLY A 33 8.897 -1.680 2.531 1.00 0.00 H new ATOM 0 HA3 GLY A 33 8.960 -1.621 4.282 1.00 0.00 H new ATOM 447 N CYS A 34 6.767 -3.013 3.449 1.00 0.00 N ATOM 448 CA CYS A 34 5.431 -3.592 3.430 1.00 0.00 C ATOM 449 C CYS A 34 5.007 -4.219 4.750 1.00 0.00 C ATOM 450 O CYS A 34 5.736 -5.022 5.330 1.00 0.00 O ATOM 451 CB CYS A 34 5.381 -4.652 2.351 1.00 0.00 C ATOM 452 SG CYS A 34 4.671 -4.093 0.780 1.00 0.00 S ATOM 0 H CYS A 34 7.520 -3.701 3.438 1.00 0.00 H new ATOM 0 HA CYS A 34 4.737 -2.773 3.238 1.00 0.00 H new ATOM 0 HB2 CYS A 34 6.392 -5.015 2.169 1.00 0.00 H new ATOM 0 HB3 CYS A 34 4.800 -5.498 2.717 1.00 0.00 H new ATOM 457 N PHE A 35 3.794 -3.883 5.189 1.00 0.00 N ATOM 458 CA PHE A 35 3.225 -4.456 6.413 1.00 0.00 C ATOM 459 C PHE A 35 1.799 -4.941 6.166 1.00 0.00 C ATOM 460 O PHE A 35 0.913 -4.135 5.885 1.00 0.00 O ATOM 461 CB PHE A 35 3.215 -3.440 7.551 1.00 0.00 C ATOM 462 CG PHE A 35 4.377 -2.512 7.547 1.00 0.00 C ATOM 463 CD1 PHE A 35 4.458 -1.522 6.592 1.00 0.00 C ATOM 464 CD2 PHE A 35 5.389 -2.631 8.488 1.00 0.00 C ATOM 465 CE1 PHE A 35 5.520 -0.657 6.567 1.00 0.00 C ATOM 466 CE2 PHE A 35 6.465 -1.759 8.467 1.00 0.00 C ATOM 467 CZ PHE A 35 6.527 -0.769 7.500 1.00 0.00 C ATOM 0 H PHE A 35 3.184 -3.216 4.716 1.00 0.00 H new ATOM 0 HA PHE A 35 3.855 -5.298 6.699 1.00 0.00 H new ATOM 0 HB2 PHE A 35 2.297 -2.855 7.494 1.00 0.00 H new ATOM 0 HB3 PHE A 35 3.194 -3.975 8.501 1.00 0.00 H new ATOM 0 HD1 PHE A 35 3.675 -1.427 5.854 1.00 0.00 H new ATOM 0 HD2 PHE A 35 5.338 -3.405 9.239 1.00 0.00 H new ATOM 0 HE1 PHE A 35 5.568 0.115 5.813 1.00 0.00 H new ATOM 0 HE2 PHE A 35 7.252 -1.850 9.201 1.00 0.00 H new ATOM 0 HZ PHE A 35 7.363 -0.086 7.478 1.00 0.00 H new ATOM 477 N VAL A 36 1.560 -6.242 6.307 1.00 0.00 N ATOM 478 CA VAL A 36 0.211 -6.772 6.125 1.00 0.00 C ATOM 479 C VAL A 36 -0.498 -6.858 7.463 1.00 0.00 C ATOM 480 O VAL A 36 -0.298 -7.802 8.226 1.00 0.00 O ATOM 481 CB VAL A 36 0.184 -8.165 5.476 1.00 0.00 C ATOM 482 CG1 VAL A 36 -1.228 -8.484 4.990 1.00 0.00 C ATOM 483 CG2 VAL A 36 1.199 -8.263 4.345 1.00 0.00 C ATOM 0 H VAL A 36 2.268 -6.938 6.542 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.294 -6.080 5.451 1.00 0.00 H new ATOM 0 HB VAL A 36 0.466 -8.906 6.224 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -1.240 -9.473 4.531 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.916 -8.468 5.835 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.537 -7.740 4.256 1.00 0.00 H new ATOM 0 HG21 VAL A 36 1.158 -9.259 3.904 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.967 -7.519 3.583 1.00 0.00 H new ATOM 0 HG23 VAL A 36 2.200 -8.081 4.737 1.00 0.00 H new ATOM 493 N GLY A 37 -1.316 -5.857 7.743 1.00 0.00 N ATOM 494 CA GLY A 37 -2.038 -5.821 9.004 1.00 0.00 C ATOM 495 C GLY A 37 -1.097 -5.710 10.197 1.00 0.00 C ATOM 496 O GLY A 37 -1.512 -5.869 11.345 1.00 0.00 O ATOM 0 H GLY A 37 -1.496 -5.067 7.123 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -2.725 -4.975 9.004 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -2.642 -6.723 9.102 1.00 0.00 H new ATOM 500 N THR A 38 0.177 -5.442 9.910 1.00 0.00 N ATOM 501 CA THR A 38 1.210 -5.300 10.930 1.00 0.00 C ATOM 502 C THR A 38 1.077 -3.944 11.612 1.00 0.00 C ATOM 503 O THR A 38 0.268 -3.117 11.194 1.00 0.00 O ATOM 504 CB THR A 38 2.578 -5.423 10.257 1.00 0.00 C ATOM 505 OG1 THR A 38 2.543 -6.432 9.258 1.00 0.00 O ATOM 506 CG2 THR A 38 3.731 -5.731 11.193 1.00 0.00 C ATOM 0 H THR A 38 0.521 -5.317 8.958 1.00 0.00 H new ATOM 0 HA THR A 38 1.102 -6.078 11.686 1.00 0.00 H new ATOM 0 HB THR A 38 2.766 -4.435 9.837 1.00 0.00 H new ATOM 0 HG1 THR A 38 3.423 -6.501 8.832 1.00 0.00 H new ATOM 0 HG21 THR A 38 4.656 -5.798 10.621 1.00 0.00 H new ATOM 0 HG22 THR A 38 3.820 -4.937 11.934 1.00 0.00 H new ATOM 0 HG23 THR A 38 3.547 -6.679 11.698 1.00 0.00 H new ATOM 514 N ALA A 39 1.879 -3.706 12.647 1.00 0.00 N ATOM 515 CA ALA A 39 1.845 -2.435 13.363 1.00 0.00 C ATOM 516 C ALA A 39 1.791 -1.252 12.395 1.00 0.00 C ATOM 517 O ALA A 39 0.887 -0.427 12.462 1.00 0.00 O ATOM 518 CB ALA A 39 3.051 -2.311 14.286 1.00 0.00 C ATOM 0 H ALA A 39 2.559 -4.376 13.007 1.00 0.00 H new ATOM 0 HA ALA A 39 0.937 -2.416 13.966 1.00 0.00 H new ATOM 0 HB1 ALA A 39 3.010 -1.357 14.812 1.00 0.00 H new ATOM 0 HB2 ALA A 39 3.040 -3.126 15.010 1.00 0.00 H new ATOM 0 HB3 ALA A 39 3.967 -2.361 13.697 1.00 0.00 H new ATOM 524 N GLU A 40 2.761 -1.175 11.493 1.00 0.00 N ATOM 525 CA GLU A 40 2.814 -0.091 10.517 1.00 0.00 C ATOM 526 C GLU A 40 1.752 -0.252 9.417 1.00 0.00 C ATOM 527 O GLU A 40 1.753 0.494 8.437 1.00 0.00 O ATOM 528 CB GLU A 40 4.210 -0.018 9.903 1.00 0.00 C ATOM 529 CG GLU A 40 5.044 1.148 10.415 1.00 0.00 C ATOM 530 CD GLU A 40 5.722 0.847 11.739 1.00 0.00 C ATOM 531 OE1 GLU A 40 5.043 0.329 12.650 1.00 0.00 O ATOM 532 OE2 GLU A 40 6.933 1.133 11.868 1.00 0.00 O ATOM 0 H GLU A 40 3.522 -1.850 11.416 1.00 0.00 H new ATOM 0 HA GLU A 40 2.596 0.840 11.040 1.00 0.00 H new ATOM 0 HB2 GLU A 40 4.738 -0.949 10.110 1.00 0.00 H new ATOM 0 HB3 GLU A 40 4.117 0.061 8.820 1.00 0.00 H new ATOM 0 HG2 GLU A 40 5.801 1.401 9.673 1.00 0.00 H new ATOM 0 HG3 GLU A 40 4.405 2.024 10.530 1.00 0.00 H new ATOM 539 N ALA A 41 0.863 -1.236 9.573 1.00 0.00 N ATOM 540 CA ALA A 41 -0.185 -1.491 8.584 1.00 0.00 C ATOM 541 C ALA A 41 -1.577 -1.192 9.128 1.00 0.00 C ATOM 542 O ALA A 41 -2.515 -0.973 8.361 1.00 0.00 O ATOM 543 CB ALA A 41 -0.144 -2.941 8.157 1.00 0.00 C ATOM 0 H ALA A 41 0.849 -1.868 10.374 1.00 0.00 H new ATOM 0 HA ALA A 41 0.006 -0.829 7.740 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -0.926 -3.126 7.421 1.00 0.00 H new ATOM 0 HB2 ALA A 41 0.828 -3.163 7.717 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -0.304 -3.581 9.025 1.00 0.00 H new ATOM 549 N LEU A 42 -1.717 -1.225 10.449 1.00 0.00 N ATOM 550 CA LEU A 42 -3.009 -1.000 11.091 1.00 0.00 C ATOM 551 C LEU A 42 -3.754 0.212 10.551 1.00 0.00 C ATOM 552 O LEU A 42 -4.961 0.321 10.741 1.00 0.00 O ATOM 553 CB LEU A 42 -2.869 -0.893 12.614 1.00 0.00 C ATOM 554 CG LEU A 42 -1.726 -0.012 13.149 1.00 0.00 C ATOM 555 CD1 LEU A 42 -1.221 0.963 12.094 1.00 0.00 C ATOM 556 CD2 LEU A 42 -2.179 0.740 14.392 1.00 0.00 C ATOM 0 H LEU A 42 -0.951 -1.406 11.098 1.00 0.00 H new ATOM 0 HA LEU A 42 -3.608 -1.877 10.846 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -3.808 -0.511 13.015 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.738 -1.898 13.014 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.897 -0.670 13.411 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.415 1.566 12.512 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.850 0.407 11.233 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -2.037 1.615 11.781 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.361 1.359 14.761 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -3.031 1.373 14.144 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -2.470 0.027 15.163 1.00 0.00 H new ATOM 568 N ARG A 43 -3.064 1.119 9.877 1.00 0.00 N ATOM 569 CA ARG A 43 -3.724 2.298 9.327 1.00 0.00 C ATOM 570 C ARG A 43 -4.978 1.923 8.540 1.00 0.00 C ATOM 571 O ARG A 43 -5.886 2.740 8.386 1.00 0.00 O ATOM 572 CB ARG A 43 -2.768 3.081 8.443 1.00 0.00 C ATOM 573 CG ARG A 43 -2.461 4.460 8.991 1.00 0.00 C ATOM 574 CD ARG A 43 -1.795 4.368 10.354 1.00 0.00 C ATOM 575 NE ARG A 43 -0.609 5.215 10.446 1.00 0.00 N ATOM 576 CZ ARG A 43 -0.207 5.815 11.567 1.00 0.00 C ATOM 577 NH1 ARG A 43 -0.889 5.662 12.697 1.00 0.00 N ATOM 578 NH2 ARG A 43 0.884 6.567 11.558 1.00 0.00 N ATOM 0 H ARG A 43 -2.061 1.066 9.698 1.00 0.00 H new ATOM 0 HA ARG A 43 -4.027 2.925 10.165 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -1.838 2.522 8.336 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -3.198 3.178 7.446 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -1.809 4.994 8.299 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -3.382 5.037 9.071 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -2.508 4.659 11.125 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -1.516 3.333 10.551 1.00 0.00 H new ATOM 0 HE ARG A 43 -0.054 5.356 9.602 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -1.728 5.082 12.712 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -0.574 6.125 13.550 1.00 0.00 H new ATOM 0 HH21 ARG A 43 1.414 6.686 10.695 1.00 0.00 H new ATOM 0 HH22 ARG A 43 1.193 7.027 12.414 1.00 0.00 H new ATOM 592 N CYS A 44 -5.028 0.688 8.049 1.00 0.00 N ATOM 593 CA CYS A 44 -6.177 0.222 7.290 1.00 0.00 C ATOM 594 C CYS A 44 -7.339 -0.129 8.207 1.00 0.00 C ATOM 595 O CYS A 44 -8.439 -0.410 7.737 1.00 0.00 O ATOM 596 CB CYS A 44 -5.807 -0.962 6.405 1.00 0.00 C ATOM 597 SG CYS A 44 -6.147 -0.706 4.628 1.00 0.00 S ATOM 0 H CYS A 44 -4.287 -0.004 8.164 1.00 0.00 H new ATOM 0 HA CYS A 44 -6.497 1.039 6.643 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -4.746 -1.179 6.533 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -6.355 -1.841 6.745 1.00 0.00 H new ATOM 602 N GLN A 45 -7.120 -0.071 9.518 1.00 0.00 N ATOM 603 CA GLN A 45 -8.193 -0.331 10.455 1.00 0.00 C ATOM 604 C GLN A 45 -9.292 0.692 10.198 1.00 0.00 C ATOM 605 O GLN A 45 -10.464 0.471 10.504 1.00 0.00 O ATOM 606 CB GLN A 45 -7.698 -0.233 11.894 1.00 0.00 C ATOM 607 CG GLN A 45 -7.689 -1.563 12.633 1.00 0.00 C ATOM 608 CD GLN A 45 -6.620 -2.514 12.125 1.00 0.00 C ATOM 609 OE1 GLN A 45 -6.864 -3.314 11.222 1.00 0.00 O ATOM 610 NE2 GLN A 45 -5.428 -2.433 12.705 1.00 0.00 N ATOM 0 H GLN A 45 -6.221 0.151 9.945 1.00 0.00 H new ATOM 0 HA GLN A 45 -8.573 -1.343 10.314 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -6.689 0.179 11.894 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -8.329 0.470 12.438 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -7.531 -1.381 13.696 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -8.666 -2.035 12.532 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -5.268 -1.755 13.450 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -4.672 -3.049 12.405 1.00 0.00 H new ATOM 619 N GLU A 46 -8.881 1.814 9.600 1.00 0.00 N ATOM 620 CA GLU A 46 -9.775 2.882 9.245 1.00 0.00 C ATOM 621 C GLU A 46 -10.562 2.515 7.990 1.00 0.00 C ATOM 622 O GLU A 46 -11.558 3.159 7.664 1.00 0.00 O ATOM 623 CB GLU A 46 -8.953 4.132 8.980 1.00 0.00 C ATOM 624 CG GLU A 46 -8.579 4.896 10.233 1.00 0.00 C ATOM 625 CD GLU A 46 -7.854 6.192 9.932 1.00 0.00 C ATOM 626 OE1 GLU A 46 -6.612 6.165 9.815 1.00 0.00 O ATOM 627 OE2 GLU A 46 -8.531 7.235 9.814 1.00 0.00 O ATOM 0 H GLU A 46 -7.908 1.993 9.353 1.00 0.00 H new ATOM 0 HA GLU A 46 -10.478 3.057 10.059 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -8.042 3.851 8.452 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -9.515 4.791 8.318 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -9.482 5.113 10.804 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -7.947 4.268 10.862 1.00 0.00 H new ATOM 634 N GLU A 47 -10.119 1.468 7.290 1.00 0.00 N ATOM 635 CA GLU A 47 -10.817 1.031 6.080 1.00 0.00 C ATOM 636 C GLU A 47 -12.109 0.287 6.437 1.00 0.00 C ATOM 637 O GLU A 47 -12.821 -0.195 5.556 1.00 0.00 O ATOM 638 CB GLU A 47 -9.921 0.132 5.218 1.00 0.00 C ATOM 639 CG GLU A 47 -9.301 0.845 4.023 1.00 0.00 C ATOM 640 CD GLU A 47 -9.101 -0.077 2.834 1.00 0.00 C ATOM 641 OE1 GLU A 47 -10.058 -0.793 2.472 1.00 0.00 O ATOM 642 OE2 GLU A 47 -7.988 -0.081 2.264 1.00 0.00 O ATOM 0 H GLU A 47 -9.296 0.917 7.534 1.00 0.00 H new ATOM 0 HA GLU A 47 -11.069 1.923 5.506 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -9.124 -0.274 5.840 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -10.508 -0.714 4.860 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -9.940 1.678 3.729 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -8.340 1.269 4.315 1.00 0.00 H new ATOM 649 N ASN A 48 -12.406 0.195 7.735 1.00 0.00 N ATOM 650 CA ASN A 48 -13.599 -0.487 8.207 1.00 0.00 C ATOM 651 C ASN A 48 -14.842 0.400 8.092 1.00 0.00 C ATOM 652 O ASN A 48 -15.961 -0.059 8.317 1.00 0.00 O ATOM 653 CB ASN A 48 -13.401 -0.926 9.660 1.00 0.00 C ATOM 654 CG ASN A 48 -13.456 -2.433 9.825 1.00 0.00 C ATOM 655 OD1 ASN A 48 -13.289 -3.182 8.861 1.00 0.00 O ATOM 656 ND2 ASN A 48 -13.687 -2.886 11.050 1.00 0.00 N ATOM 0 H ASN A 48 -11.828 0.589 8.477 1.00 0.00 H new ATOM 0 HA ASN A 48 -13.758 -1.362 7.576 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -12.439 -0.559 10.019 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -14.169 -0.467 10.282 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -13.732 -3.890 11.222 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -13.820 -2.230 11.820 1.00 0.00 H new ATOM 663 N TYR A 49 -14.639 1.667 7.732 1.00 0.00 N ATOM 664 CA TYR A 49 -15.742 2.620 7.584 1.00 0.00 C ATOM 665 C TYR A 49 -16.782 2.113 6.580 1.00 0.00 C ATOM 666 O TYR A 49 -16.818 0.926 6.259 1.00 0.00 O ATOM 667 CB TYR A 49 -15.188 3.985 7.140 1.00 0.00 C ATOM 668 CG TYR A 49 -14.687 4.868 8.263 1.00 0.00 C ATOM 669 CD1 TYR A 49 -14.683 4.416 9.566 1.00 0.00 C ATOM 670 CD2 TYR A 49 -14.223 6.156 8.015 1.00 0.00 C ATOM 671 CE1 TYR A 49 -14.235 5.212 10.603 1.00 0.00 C ATOM 672 CE2 TYR A 49 -13.770 6.962 9.044 1.00 0.00 C ATOM 673 CZ TYR A 49 -13.779 6.484 10.338 1.00 0.00 C ATOM 674 OH TYR A 49 -13.333 7.282 11.368 1.00 0.00 O ATOM 0 H TYR A 49 -13.718 2.060 7.537 1.00 0.00 H new ATOM 0 HA TYR A 49 -16.238 2.728 8.548 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -14.371 3.818 6.438 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -15.969 4.519 6.599 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -15.038 3.419 9.780 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -14.216 6.533 7.003 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -14.242 4.838 11.616 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -13.412 7.959 8.836 1.00 0.00 H new ATOM 0 HH TYR A 49 -13.045 8.148 11.010 1.00 0.00 H new ATOM 684 N LEU A 50 -17.639 3.015 6.099 1.00 0.00 N ATOM 685 CA LEU A 50 -18.678 2.660 5.149 1.00 0.00 C ATOM 686 C LEU A 50 -18.193 2.864 3.713 1.00 0.00 C ATOM 687 O LEU A 50 -17.281 3.653 3.467 1.00 0.00 O ATOM 688 CB LEU A 50 -19.941 3.493 5.404 1.00 0.00 C ATOM 689 CG LEU A 50 -21.211 2.685 5.688 1.00 0.00 C ATOM 690 CD1 LEU A 50 -21.213 2.164 7.117 1.00 0.00 C ATOM 691 CD2 LEU A 50 -22.447 3.533 5.428 1.00 0.00 C ATOM 0 H LEU A 50 -17.628 4.002 6.358 1.00 0.00 H new ATOM 0 HA LEU A 50 -18.918 1.605 5.285 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -19.755 4.156 6.249 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -20.120 4.127 4.535 1.00 0.00 H new ATOM 0 HG LEU A 50 -21.229 1.828 5.015 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -22.125 1.593 7.295 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -20.347 1.521 7.271 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -21.169 3.004 7.811 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -23.341 2.945 5.634 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -22.431 4.409 6.077 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -22.456 3.854 4.386 1.00 0.00 H new ATOM 703 N PRO A 51 -18.796 2.147 2.744 1.00 0.00 N ATOM 704 CA PRO A 51 -18.425 2.243 1.328 1.00 0.00 C ATOM 705 C PRO A 51 -18.101 3.666 0.882 1.00 0.00 C ATOM 706 O PRO A 51 -18.927 4.572 0.999 1.00 0.00 O ATOM 707 CB PRO A 51 -19.680 1.727 0.633 1.00 0.00 C ATOM 708 CG PRO A 51 -20.162 0.664 1.552 1.00 0.00 C ATOM 709 CD PRO A 51 -19.894 1.179 2.944 1.00 0.00 C ATOM 0 HA PRO A 51 -17.516 1.687 1.099 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -20.422 2.515 0.504 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -19.458 1.332 -0.359 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -21.224 0.470 1.404 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -19.638 -0.275 1.374 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -20.776 1.654 3.373 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -19.603 0.376 3.621 1.00 0.00 H new ATOM 717 N SER A 52 -16.888 3.849 0.368 1.00 0.00 N ATOM 718 CA SER A 52 -16.439 5.153 -0.107 1.00 0.00 C ATOM 719 C SER A 52 -15.563 5.001 -1.348 1.00 0.00 C ATOM 720 O SER A 52 -15.033 3.924 -1.616 1.00 0.00 O ATOM 721 CB SER A 52 -15.668 5.882 0.993 1.00 0.00 C ATOM 722 OG SER A 52 -14.732 5.021 1.615 1.00 0.00 O ATOM 0 H SER A 52 -16.196 3.106 0.270 1.00 0.00 H new ATOM 0 HA SER A 52 -17.317 5.742 -0.372 1.00 0.00 H new ATOM 0 HB2 SER A 52 -15.150 6.742 0.569 1.00 0.00 H new ATOM 0 HB3 SER A 52 -16.366 6.265 1.738 1.00 0.00 H new ATOM 0 HG SER A 52 -14.250 5.511 2.314 1.00 0.00 H new ATOM 728 N PRO A 53 -15.408 6.079 -2.131 1.00 0.00 N ATOM 729 CA PRO A 53 -14.612 6.068 -3.350 1.00 0.00 C ATOM 730 C PRO A 53 -13.168 6.509 -3.116 1.00 0.00 C ATOM 731 O PRO A 53 -12.774 7.608 -3.505 1.00 0.00 O ATOM 732 CB PRO A 53 -15.354 7.079 -4.218 1.00 0.00 C ATOM 733 CG PRO A 53 -15.911 8.081 -3.254 1.00 0.00 C ATOM 734 CD PRO A 53 -16.013 7.401 -1.904 1.00 0.00 C ATOM 0 HA PRO A 53 -14.521 5.074 -3.787 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -14.683 7.552 -4.935 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -16.147 6.600 -4.792 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -15.265 8.957 -3.195 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -16.890 8.428 -3.584 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -15.480 7.958 -1.134 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -17.049 7.316 -1.576 1.00 0.00 H new ATOM 742 N CYS A 54 -12.382 5.644 -2.481 1.00 0.00 N ATOM 743 CA CYS A 54 -10.981 5.947 -2.196 1.00 0.00 C ATOM 744 C CYS A 54 -10.081 5.553 -3.364 1.00 0.00 C ATOM 745 O CYS A 54 -10.561 5.128 -4.415 1.00 0.00 O ATOM 746 CB CYS A 54 -10.531 5.222 -0.925 1.00 0.00 C ATOM 747 SG CYS A 54 -9.376 6.180 0.108 1.00 0.00 S ATOM 0 H CYS A 54 -12.690 4.728 -2.154 1.00 0.00 H new ATOM 0 HA CYS A 54 -10.895 7.023 -2.047 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -11.410 4.972 -0.332 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -10.057 4.281 -1.205 1.00 0.00 H new ATOM 752 N GLN A 55 -8.773 5.702 -3.171 1.00 0.00 N ATOM 753 CA GLN A 55 -7.804 5.370 -4.197 1.00 0.00 C ATOM 754 C GLN A 55 -6.595 4.638 -3.610 1.00 0.00 C ATOM 755 O GLN A 55 -6.433 4.550 -2.395 1.00 0.00 O ATOM 756 CB GLN A 55 -7.334 6.642 -4.914 1.00 0.00 C ATOM 757 CG GLN A 55 -6.911 6.424 -6.360 1.00 0.00 C ATOM 758 CD GLN A 55 -5.929 7.475 -6.841 1.00 0.00 C ATOM 759 OE1 GLN A 55 -6.229 8.256 -7.743 1.00 0.00 O ATOM 760 NE2 GLN A 55 -4.744 7.497 -6.236 1.00 0.00 N ATOM 0 H GLN A 55 -8.364 6.053 -2.305 1.00 0.00 H new ATOM 0 HA GLN A 55 -8.293 4.707 -4.910 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -8.138 7.377 -4.890 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -6.496 7.068 -4.362 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -6.459 5.437 -6.458 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -7.794 6.436 -6.999 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -4.539 6.830 -5.492 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -4.041 8.181 -6.516 1.00 0.00 H new ATOM 769 N SER A 56 -5.742 4.131 -4.492 1.00 0.00 N ATOM 770 CA SER A 56 -4.531 3.425 -4.091 1.00 0.00 C ATOM 771 C SER A 56 -3.497 3.521 -5.207 1.00 0.00 C ATOM 772 O SER A 56 -3.693 4.259 -6.173 1.00 0.00 O ATOM 773 CB SER A 56 -4.834 1.958 -3.774 1.00 0.00 C ATOM 774 OG SER A 56 -6.112 1.815 -3.180 1.00 0.00 O ATOM 0 H SER A 56 -5.869 4.197 -5.502 1.00 0.00 H new ATOM 0 HA SER A 56 -4.136 3.889 -3.187 1.00 0.00 H new ATOM 0 HB2 SER A 56 -4.788 1.368 -4.690 1.00 0.00 H new ATOM 0 HB3 SER A 56 -4.072 1.564 -3.102 1.00 0.00 H new ATOM 0 HG SER A 56 -6.280 0.869 -2.990 1.00 0.00 H new ATOM 780 N GLY A 57 -2.402 2.776 -5.089 1.00 0.00 N ATOM 781 CA GLY A 57 -1.385 2.813 -6.116 1.00 0.00 C ATOM 782 C GLY A 57 -0.490 1.604 -6.079 1.00 0.00 C ATOM 783 O GLY A 57 0.396 1.504 -5.231 1.00 0.00 O ATOM 0 H GLY A 57 -2.204 2.153 -4.306 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -1.862 2.879 -7.094 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.782 3.713 -5.994 1.00 0.00 H new ATOM 787 N GLN A 58 -0.728 0.672 -6.991 1.00 0.00 N ATOM 788 CA GLN A 58 0.055 -0.536 -7.046 1.00 0.00 C ATOM 789 C GLN A 58 0.676 -0.737 -8.431 1.00 0.00 C ATOM 790 O GLN A 58 0.093 -1.384 -9.295 1.00 0.00 O ATOM 791 CB GLN A 58 -0.848 -1.695 -6.682 1.00 0.00 C ATOM 792 CG GLN A 58 -0.673 -2.129 -5.244 1.00 0.00 C ATOM 793 CD GLN A 58 0.169 -3.382 -5.103 1.00 0.00 C ATOM 794 OE1 GLN A 58 1.163 -3.398 -4.378 1.00 0.00 O ATOM 795 NE2 GLN A 58 -0.235 -4.445 -5.785 1.00 0.00 N ATOM 0 H GLN A 58 -1.459 0.737 -7.699 1.00 0.00 H new ATOM 0 HA GLN A 58 0.883 -0.470 -6.340 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -1.887 -1.410 -6.849 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -0.638 -2.537 -7.341 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -0.209 -1.320 -4.680 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -1.653 -2.305 -4.801 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -1.065 -4.387 -6.375 1.00 0.00 H new ATOM 0 HE22 GLN A 58 0.285 -5.320 -5.720 1.00 0.00 H new ATOM 804 N LYS A 59 1.873 -0.178 -8.609 1.00 0.00 N ATOM 805 CA LYS A 59 2.631 -0.268 -9.853 1.00 0.00 C ATOM 806 C LYS A 59 3.018 -1.717 -10.164 1.00 0.00 C ATOM 807 O LYS A 59 3.917 -2.275 -9.542 1.00 0.00 O ATOM 808 CB LYS A 59 3.866 0.625 -9.738 1.00 0.00 C ATOM 809 CG LYS A 59 4.396 0.760 -8.322 1.00 0.00 C ATOM 810 CD LYS A 59 3.823 2.005 -7.659 1.00 0.00 C ATOM 811 CE LYS A 59 3.465 1.795 -6.187 1.00 0.00 C ATOM 812 NZ LYS A 59 4.365 0.820 -5.500 1.00 0.00 N ATOM 0 H LYS A 59 2.348 0.357 -7.882 1.00 0.00 H new ATOM 0 HA LYS A 59 2.012 0.075 -10.682 1.00 0.00 H new ATOM 0 HB2 LYS A 59 4.654 0.222 -10.374 1.00 0.00 H new ATOM 0 HB3 LYS A 59 3.623 1.616 -10.121 1.00 0.00 H new ATOM 0 HG2 LYS A 59 4.131 -0.124 -7.742 1.00 0.00 H new ATOM 0 HG3 LYS A 59 5.484 0.817 -8.338 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.547 2.816 -7.738 1.00 0.00 H new ATOM 0 HD3 LYS A 59 2.931 2.320 -8.201 1.00 0.00 H new ATOM 0 HE2 LYS A 59 3.511 2.752 -5.668 1.00 0.00 H new ATOM 0 HE3 LYS A 59 2.436 1.443 -6.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 4.537 1.134 -4.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 3.916 -0.118 -5.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 5.270 0.764 -6.010 1.00 0.00 H new ATOM 826 N PRO A 60 2.287 -2.361 -11.097 1.00 0.00 N ATOM 827 CA PRO A 60 2.481 -3.769 -11.459 1.00 0.00 C ATOM 828 C PRO A 60 3.910 -4.251 -11.642 1.00 0.00 C ATOM 829 O PRO A 60 4.835 -3.478 -11.885 1.00 0.00 O ATOM 830 CB PRO A 60 1.722 -3.898 -12.773 1.00 0.00 C ATOM 831 CG PRO A 60 0.602 -2.936 -12.637 1.00 0.00 C ATOM 832 CD PRO A 60 1.144 -1.780 -11.835 1.00 0.00 C ATOM 0 HA PRO A 60 2.134 -4.393 -10.635 1.00 0.00 H new ATOM 0 HB2 PRO A 60 2.356 -3.654 -13.626 1.00 0.00 H new ATOM 0 HB3 PRO A 60 1.359 -4.914 -12.926 1.00 0.00 H new ATOM 0 HG2 PRO A 60 0.252 -2.603 -13.614 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -0.249 -3.396 -12.134 1.00 0.00 H new ATOM 0 HD2 PRO A 60 1.461 -0.960 -12.480 1.00 0.00 H new ATOM 0 HD3 PRO A 60 0.392 -1.379 -11.155 1.00 0.00 H new ATOM 840 N CYS A 61 4.030 -5.584 -11.562 1.00 0.00 N ATOM 841 CA CYS A 61 5.280 -6.300 -11.741 1.00 0.00 C ATOM 842 C CYS A 61 5.000 -7.784 -11.949 1.00 0.00 C ATOM 843 O CYS A 61 3.963 -8.307 -11.513 1.00 0.00 O ATOM 844 CB CYS A 61 6.227 -6.130 -10.556 1.00 0.00 C ATOM 845 SG CYS A 61 5.438 -5.510 -9.040 1.00 0.00 S ATOM 0 H CYS A 61 3.239 -6.198 -11.367 1.00 0.00 H new ATOM 0 HA CYS A 61 5.768 -5.876 -12.619 1.00 0.00 H new ATOM 0 HB2 CYS A 61 6.694 -7.091 -10.340 1.00 0.00 H new ATOM 0 HB3 CYS A 61 7.025 -5.445 -10.841 1.00 0.00 H new ATOM 850 N GLY A 62 5.932 -8.453 -12.615 1.00 0.00 N ATOM 851 CA GLY A 62 5.792 -9.864 -12.898 1.00 0.00 C ATOM 852 C GLY A 62 5.890 -10.751 -11.673 1.00 0.00 C ATOM 853 O GLY A 62 5.933 -11.975 -11.798 1.00 0.00 O ATOM 0 H GLY A 62 6.793 -8.035 -12.968 1.00 0.00 H new ATOM 0 HA2 GLY A 62 4.829 -10.034 -13.381 1.00 0.00 H new ATOM 0 HA3 GLY A 62 6.562 -10.159 -13.610 1.00 0.00 H new ATOM 857 N SER A 63 5.942 -10.148 -10.492 1.00 0.00 N ATOM 858 CA SER A 63 6.050 -10.901 -9.269 1.00 0.00 C ATOM 859 C SER A 63 4.674 -11.171 -8.670 1.00 0.00 C ATOM 860 O SER A 63 4.430 -10.899 -7.494 1.00 0.00 O ATOM 861 CB SER A 63 6.937 -10.155 -8.269 1.00 0.00 C ATOM 862 OG SER A 63 7.481 -11.039 -7.303 1.00 0.00 O ATOM 0 H SER A 63 5.910 -9.136 -10.365 1.00 0.00 H new ATOM 0 HA SER A 63 6.509 -11.863 -9.496 1.00 0.00 H new ATOM 0 HB2 SER A 63 7.745 -9.652 -8.801 1.00 0.00 H new ATOM 0 HB3 SER A 63 6.354 -9.381 -7.769 1.00 0.00 H new ATOM 0 HG SER A 63 7.975 -10.525 -6.630 1.00 0.00 H new ATOM 868 N GLY A 64 3.781 -11.714 -9.493 1.00 0.00 N ATOM 869 CA GLY A 64 2.441 -12.032 -9.045 1.00 0.00 C ATOM 870 C GLY A 64 1.700 -10.859 -8.440 1.00 0.00 C ATOM 871 O GLY A 64 0.903 -11.030 -7.518 1.00 0.00 O ATOM 0 H GLY A 64 3.967 -11.940 -10.470 1.00 0.00 H new ATOM 0 HA2 GLY A 64 1.868 -12.414 -9.890 1.00 0.00 H new ATOM 0 HA3 GLY A 64 2.496 -12.833 -8.308 1.00 0.00 H new ATOM 875 N GLY A 65 1.944 -9.674 -8.966 1.00 0.00 N ATOM 876 CA GLY A 65 1.269 -8.496 -8.471 1.00 0.00 C ATOM 877 C GLY A 65 1.894 -7.190 -8.867 1.00 0.00 C ATOM 878 O GLY A 65 2.530 -7.076 -9.913 1.00 0.00 O ATOM 0 H GLY A 65 2.599 -9.505 -9.729 1.00 0.00 H new ATOM 0 HA2 GLY A 65 0.239 -8.510 -8.826 1.00 0.00 H new ATOM 0 HA3 GLY A 65 1.232 -8.548 -7.383 1.00 0.00 H new ATOM 882 N ARG A 66 1.697 -6.193 -8.019 1.00 0.00 N ATOM 883 CA ARG A 66 2.233 -4.879 -8.265 1.00 0.00 C ATOM 884 C ARG A 66 3.200 -4.476 -7.162 1.00 0.00 C ATOM 885 O ARG A 66 3.124 -4.973 -6.046 1.00 0.00 O ATOM 886 CB ARG A 66 1.139 -3.818 -8.392 1.00 0.00 C ATOM 887 CG ARG A 66 -0.219 -4.341 -8.866 1.00 0.00 C ATOM 888 CD ARG A 66 -0.079 -5.255 -10.071 1.00 0.00 C ATOM 889 NE ARG A 66 -1.353 -5.539 -10.723 1.00 0.00 N ATOM 890 CZ ARG A 66 -1.690 -6.739 -11.197 1.00 0.00 C ATOM 891 NH1 ARG A 66 -0.884 -7.786 -11.032 1.00 0.00 N ATOM 892 NH2 ARG A 66 -2.841 -6.897 -11.836 1.00 0.00 N ATOM 0 H ARG A 66 1.166 -6.277 -7.152 1.00 0.00 H new ATOM 0 HA ARG A 66 2.762 -4.933 -9.217 1.00 0.00 H new ATOM 0 HB2 ARG A 66 1.008 -3.336 -7.423 1.00 0.00 H new ATOM 0 HB3 ARG A 66 1.478 -3.050 -9.087 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -0.705 -4.882 -8.054 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -0.864 -3.500 -9.120 1.00 0.00 H new ATOM 0 HD2 ARG A 66 0.597 -4.795 -10.792 1.00 0.00 H new ATOM 0 HD3 ARG A 66 0.379 -6.193 -9.757 1.00 0.00 H new ATOM 0 HE ARG A 66 -2.024 -4.777 -10.822 1.00 0.00 H new ATOM 0 HH11 ARG A 66 0.002 -7.675 -10.539 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -1.152 -8.699 -11.399 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -3.467 -6.102 -11.964 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -3.101 -7.814 -12.199 1.00 0.00 H new ATOM 906 N CYS A 67 4.112 -3.575 -7.495 1.00 0.00 N ATOM 907 CA CYS A 67 5.105 -3.101 -6.550 1.00 0.00 C ATOM 908 C CYS A 67 4.449 -2.386 -5.383 1.00 0.00 C ATOM 909 O CYS A 67 3.331 -1.890 -5.493 1.00 0.00 O ATOM 910 CB CYS A 67 6.109 -2.185 -7.239 1.00 0.00 C ATOM 911 SG CYS A 67 7.558 -1.777 -6.212 1.00 0.00 S ATOM 0 H CYS A 67 4.183 -3.156 -8.422 1.00 0.00 H new ATOM 0 HA CYS A 67 5.638 -3.968 -6.160 1.00 0.00 H new ATOM 0 HB2 CYS A 67 6.450 -2.661 -8.159 1.00 0.00 H new ATOM 0 HB3 CYS A 67 5.607 -1.261 -7.526 1.00 0.00 H new ATOM 916 N ALA A 68 5.142 -2.355 -4.258 1.00 0.00 N ATOM 917 CA ALA A 68 4.608 -1.722 -3.064 1.00 0.00 C ATOM 918 C ALA A 68 5.701 -0.999 -2.242 1.00 0.00 C ATOM 919 O ALA A 68 5.936 0.192 -2.416 1.00 0.00 O ATOM 920 CB ALA A 68 3.887 -2.793 -2.248 1.00 0.00 C ATOM 0 H ALA A 68 6.072 -2.759 -4.146 1.00 0.00 H new ATOM 0 HA ALA A 68 3.905 -0.940 -3.349 1.00 0.00 H new ATOM 0 HB1 ALA A 68 3.475 -2.345 -1.344 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.079 -3.220 -2.842 1.00 0.00 H new ATOM 0 HB3 ALA A 68 4.592 -3.579 -1.975 1.00 0.00 H new ATOM 926 N ALA A 69 6.299 -1.738 -1.325 1.00 0.00 N ATOM 927 CA ALA A 69 7.336 -1.276 -0.402 1.00 0.00 C ATOM 928 C ALA A 69 8.696 -1.049 -1.034 1.00 0.00 C ATOM 929 O ALA A 69 8.832 -1.059 -2.258 1.00 0.00 O ATOM 930 CB ALA A 69 7.462 -2.271 0.712 1.00 0.00 C ATOM 0 H ALA A 69 6.069 -2.723 -1.192 1.00 0.00 H new ATOM 0 HA ALA A 69 7.015 -0.298 -0.043 1.00 0.00 H new ATOM 0 HB1 ALA A 69 8.232 -1.941 1.409 1.00 0.00 H new ATOM 0 HB2 ALA A 69 6.510 -2.354 1.235 1.00 0.00 H new ATOM 0 HB3 ALA A 69 7.736 -3.243 0.302 1.00 0.00 H new ATOM 936 N ALA A 70 9.713 -0.836 -0.157 1.00 0.00 N ATOM 937 CA ALA A 70 11.104 -0.610 -0.596 1.00 0.00 C ATOM 938 C ALA A 70 11.358 -1.306 -1.918 1.00 0.00 C ATOM 939 O ALA A 70 11.996 -0.777 -2.826 1.00 0.00 O ATOM 940 CB ALA A 70 12.071 -1.149 0.446 1.00 0.00 C ATOM 0 H ALA A 70 9.589 -0.817 0.855 1.00 0.00 H new ATOM 0 HA ALA A 70 11.258 0.462 -0.718 1.00 0.00 H new ATOM 0 HB1 ALA A 70 13.095 -0.978 0.115 1.00 0.00 H new ATOM 0 HB2 ALA A 70 11.906 -0.637 1.394 1.00 0.00 H new ATOM 0 HB3 ALA A 70 11.906 -2.218 0.577 1.00 0.00 H new ATOM 946 N GLY A 71 10.769 -2.475 -1.994 1.00 0.00 N ATOM 947 CA GLY A 71 10.788 -3.315 -3.146 1.00 0.00 C ATOM 948 C GLY A 71 9.951 -4.539 -2.899 1.00 0.00 C ATOM 949 O GLY A 71 10.448 -5.624 -2.622 1.00 0.00 O ATOM 0 H GLY A 71 10.244 -2.875 -1.217 1.00 0.00 H new ATOM 0 HA2 GLY A 71 10.407 -2.771 -4.010 1.00 0.00 H new ATOM 0 HA3 GLY A 71 11.813 -3.605 -3.379 1.00 0.00 H new ATOM 953 N ILE A 72 8.655 -4.339 -3.015 1.00 0.00 N ATOM 954 CA ILE A 72 7.685 -5.383 -2.818 1.00 0.00 C ATOM 955 C ILE A 72 6.703 -5.357 -3.958 1.00 0.00 C ATOM 956 O ILE A 72 6.410 -4.308 -4.509 1.00 0.00 O ATOM 957 CB ILE A 72 6.894 -5.203 -1.499 1.00 0.00 C ATOM 958 CG1 ILE A 72 7.723 -5.602 -0.272 1.00 0.00 C ATOM 959 CG2 ILE A 72 5.564 -5.955 -1.522 1.00 0.00 C ATOM 960 CD1 ILE A 72 7.596 -7.055 0.149 1.00 0.00 C ATOM 0 H ILE A 72 8.246 -3.435 -3.252 1.00 0.00 H new ATOM 0 HA ILE A 72 8.224 -6.329 -2.771 1.00 0.00 H new ATOM 0 HB ILE A 72 6.672 -4.139 -1.417 1.00 0.00 H new ATOM 0 HG12 ILE A 72 8.772 -5.390 -0.478 1.00 0.00 H new ATOM 0 HG13 ILE A 72 7.429 -4.970 0.566 1.00 0.00 H new ATOM 0 HG21 ILE A 72 5.043 -5.801 -0.577 1.00 0.00 H new ATOM 0 HG22 ILE A 72 4.949 -5.582 -2.341 1.00 0.00 H new ATOM 0 HG23 ILE A 72 5.750 -7.020 -1.664 1.00 0.00 H new ATOM 0 HD11 ILE A 72 8.220 -7.236 1.024 1.00 0.00 H new ATOM 0 HD12 ILE A 72 6.556 -7.274 0.393 1.00 0.00 H new ATOM 0 HD13 ILE A 72 7.921 -7.700 -0.667 1.00 0.00 H new ATOM 972 N CYS A 73 6.182 -6.506 -4.275 1.00 0.00 N ATOM 973 CA CYS A 73 5.208 -6.638 -5.303 1.00 0.00 C ATOM 974 C CYS A 73 4.112 -7.501 -4.711 1.00 0.00 C ATOM 975 O CYS A 73 4.295 -8.698 -4.478 1.00 0.00 O ATOM 976 CB CYS A 73 5.846 -7.211 -6.579 1.00 0.00 C ATOM 977 SG CYS A 73 4.799 -7.176 -8.066 1.00 0.00 S ATOM 0 H CYS A 73 6.428 -7.384 -3.818 1.00 0.00 H new ATOM 0 HA CYS A 73 4.785 -5.685 -5.621 1.00 0.00 H new ATOM 0 HB2 CYS A 73 6.760 -6.656 -6.787 1.00 0.00 H new ATOM 0 HB3 CYS A 73 6.137 -8.243 -6.386 1.00 0.00 H new ATOM 982 N CYS A 74 3.025 -6.844 -4.329 1.00 0.00 N ATOM 983 CA CYS A 74 1.952 -7.516 -3.629 1.00 0.00 C ATOM 984 C CYS A 74 0.936 -8.202 -4.517 1.00 0.00 C ATOM 985 O CYS A 74 0.612 -7.747 -5.611 1.00 0.00 O ATOM 986 CB CYS A 74 1.260 -6.541 -2.690 1.00 0.00 C ATOM 987 SG CYS A 74 0.564 -7.343 -1.216 1.00 0.00 S ATOM 0 H CYS A 74 2.868 -5.850 -4.494 1.00 0.00 H new ATOM 0 HA CYS A 74 2.427 -8.322 -3.070 1.00 0.00 H new ATOM 0 HB2 CYS A 74 1.973 -5.778 -2.378 1.00 0.00 H new ATOM 0 HB3 CYS A 74 0.462 -6.031 -3.229 1.00 0.00 H new ATOM 992 N SER A 75 0.432 -9.310 -3.988 1.00 0.00 N ATOM 993 CA SER A 75 -0.564 -10.124 -4.638 1.00 0.00 C ATOM 994 C SER A 75 -1.865 -10.064 -3.845 1.00 0.00 C ATOM 995 O SER A 75 -1.941 -9.374 -2.828 1.00 0.00 O ATOM 996 CB SER A 75 -0.068 -11.569 -4.764 1.00 0.00 C ATOM 997 OG SER A 75 1.320 -11.602 -5.043 1.00 0.00 O ATOM 0 H SER A 75 0.716 -9.667 -3.076 1.00 0.00 H new ATOM 0 HA SER A 75 -0.746 -9.742 -5.642 1.00 0.00 H new ATOM 0 HB2 SER A 75 -0.271 -12.110 -3.839 1.00 0.00 H new ATOM 0 HB3 SER A 75 -0.615 -12.078 -5.557 1.00 0.00 H new ATOM 0 HG SER A 75 1.495 -11.137 -5.888 1.00 0.00 H new ATOM 1003 N PRO A 76 -2.914 -10.771 -4.296 1.00 0.00 N ATOM 1004 CA PRO A 76 -4.212 -10.772 -3.617 1.00 0.00 C ATOM 1005 C PRO A 76 -4.195 -11.605 -2.337 1.00 0.00 C ATOM 1006 O PRO A 76 -5.127 -11.543 -1.536 1.00 0.00 O ATOM 1007 CB PRO A 76 -5.158 -11.420 -4.641 1.00 0.00 C ATOM 1008 CG PRO A 76 -4.377 -11.534 -5.909 1.00 0.00 C ATOM 1009 CD PRO A 76 -2.936 -11.602 -5.503 1.00 0.00 C ATOM 0 HA PRO A 76 -4.505 -9.767 -3.314 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -5.491 -12.400 -4.299 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -6.051 -10.812 -4.786 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -4.667 -12.424 -6.467 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -4.559 -10.677 -6.558 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -2.618 -12.625 -5.299 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -2.276 -11.212 -6.278 1.00 0.00 H new ATOM 1017 N ASP A 77 -3.133 -12.385 -2.152 1.00 0.00 N ATOM 1018 CA ASP A 77 -2.999 -13.232 -0.970 1.00 0.00 C ATOM 1019 C ASP A 77 -1.976 -12.652 0.007 1.00 0.00 C ATOM 1020 O ASP A 77 -2.067 -12.869 1.216 1.00 0.00 O ATOM 1021 CB ASP A 77 -2.582 -14.641 -1.386 1.00 0.00 C ATOM 1022 CG ASP A 77 -3.678 -15.661 -1.154 1.00 0.00 C ATOM 1023 OD1 ASP A 77 -4.786 -15.479 -1.703 1.00 0.00 O ATOM 1024 OD2 ASP A 77 -3.428 -16.645 -0.428 1.00 0.00 O ATOM 0 H ASP A 77 -2.353 -12.448 -2.806 1.00 0.00 H new ATOM 0 HA ASP A 77 -3.965 -13.274 -0.467 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -2.309 -14.639 -2.441 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -1.693 -14.934 -0.827 1.00 0.00 H new ATOM 1029 N GLY A 78 -1.007 -11.913 -0.526 1.00 0.00 N ATOM 1030 CA GLY A 78 0.013 -11.312 0.299 1.00 0.00 C ATOM 1031 C GLY A 78 1.117 -10.680 -0.524 1.00 0.00 C ATOM 1032 O GLY A 78 1.187 -10.891 -1.736 1.00 0.00 O ATOM 0 H GLY A 78 -0.915 -11.722 -1.524 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -0.440 -10.555 0.939 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.440 -12.070 0.955 1.00 0.00 H new ATOM 1036 N CYS A 79 1.977 -9.894 0.117 1.00 0.00 N ATOM 1037 CA CYS A 79 3.066 -9.246 -0.600 1.00 0.00 C ATOM 1038 C CYS A 79 4.352 -10.053 -0.545 1.00 0.00 C ATOM 1039 O CYS A 79 4.498 -10.970 0.266 1.00 0.00 O ATOM 1040 CB CYS A 79 3.341 -7.849 -0.053 1.00 0.00 C ATOM 1041 SG CYS A 79 1.864 -6.837 0.260 1.00 0.00 S ATOM 0 H CYS A 79 1.942 -9.693 1.116 1.00 0.00 H new ATOM 0 HA CYS A 79 2.740 -9.175 -1.638 1.00 0.00 H new ATOM 0 HB2 CYS A 79 3.901 -7.944 0.877 1.00 0.00 H new ATOM 0 HB3 CYS A 79 3.982 -7.320 -0.758 1.00 0.00 H new ATOM 1046 N GLU A 80 5.290 -9.676 -1.409 1.00 0.00 N ATOM 1047 CA GLU A 80 6.583 -10.319 -1.474 1.00 0.00 C ATOM 1048 C GLU A 80 7.620 -9.347 -2.020 1.00 0.00 C ATOM 1049 O GLU A 80 7.318 -8.559 -2.920 1.00 0.00 O ATOM 1050 CB GLU A 80 6.517 -11.580 -2.333 1.00 0.00 C ATOM 1051 CG GLU A 80 6.282 -11.308 -3.811 1.00 0.00 C ATOM 1052 CD GLU A 80 7.438 -11.760 -4.680 1.00 0.00 C ATOM 1053 OE1 GLU A 80 8.382 -10.966 -4.873 1.00 0.00 O ATOM 1054 OE2 GLU A 80 7.402 -12.911 -5.163 1.00 0.00 O ATOM 0 H GLU A 80 5.168 -8.917 -2.079 1.00 0.00 H new ATOM 0 HA GLU A 80 6.878 -10.615 -0.467 1.00 0.00 H new ATOM 0 HB2 GLU A 80 7.449 -12.134 -2.219 1.00 0.00 H new ATOM 0 HB3 GLU A 80 5.718 -12.220 -1.960 1.00 0.00 H new ATOM 0 HG2 GLU A 80 5.372 -11.817 -4.130 1.00 0.00 H new ATOM 0 HG3 GLU A 80 6.118 -10.241 -3.958 1.00 0.00 H new ATOM 1061 N GLU A 81 8.835 -9.384 -1.481 1.00 0.00 N ATOM 1062 CA GLU A 81 9.874 -8.485 -1.935 1.00 0.00 C ATOM 1063 C GLU A 81 10.126 -8.676 -3.419 1.00 0.00 C ATOM 1064 O GLU A 81 10.427 -9.780 -3.873 1.00 0.00 O ATOM 1065 CB GLU A 81 11.153 -8.695 -1.135 1.00 0.00 C ATOM 1066 CG GLU A 81 11.473 -10.141 -0.873 1.00 0.00 C ATOM 1067 CD GLU A 81 11.830 -10.411 0.575 1.00 0.00 C ATOM 1068 OE1 GLU A 81 12.392 -9.505 1.226 1.00 0.00 O ATOM 1069 OE2 GLU A 81 11.547 -11.526 1.057 1.00 0.00 O ATOM 0 H GLU A 81 9.116 -10.023 -0.737 1.00 0.00 H new ATOM 0 HA GLU A 81 9.541 -7.460 -1.774 1.00 0.00 H new ATOM 0 HB2 GLU A 81 11.985 -8.240 -1.672 1.00 0.00 H new ATOM 0 HB3 GLU A 81 11.064 -8.173 -0.182 1.00 0.00 H new ATOM 0 HG2 GLU A 81 10.616 -10.754 -1.151 1.00 0.00 H new ATOM 0 HG3 GLU A 81 12.303 -10.446 -1.510 1.00 0.00 H new ATOM 1076 N ASP A 82 9.969 -7.595 -4.167 1.00 0.00 N ATOM 1077 CA ASP A 82 10.138 -7.620 -5.599 1.00 0.00 C ATOM 1078 C ASP A 82 11.491 -7.052 -6.038 1.00 0.00 C ATOM 1079 O ASP A 82 11.715 -5.845 -6.016 1.00 0.00 O ATOM 1080 CB ASP A 82 9.007 -6.847 -6.264 1.00 0.00 C ATOM 1081 CG ASP A 82 8.943 -5.416 -5.813 1.00 0.00 C ATOM 1082 OD1 ASP A 82 9.819 -5.013 -5.035 1.00 0.00 O ATOM 1083 OD2 ASP A 82 8.025 -4.692 -6.249 1.00 0.00 O ATOM 0 H ASP A 82 9.721 -6.679 -3.792 1.00 0.00 H new ATOM 0 HA ASP A 82 10.111 -8.663 -5.913 1.00 0.00 H new ATOM 0 HB2 ASP A 82 9.138 -6.878 -7.346 1.00 0.00 H new ATOM 0 HB3 ASP A 82 8.058 -7.336 -6.043 1.00 0.00 H new ATOM 1088 N PRO A 83 12.399 -7.939 -6.464 1.00 0.00 N ATOM 1089 CA PRO A 83 13.719 -7.574 -6.951 1.00 0.00 C ATOM 1090 C PRO A 83 13.585 -6.616 -8.103 1.00 0.00 C ATOM 1091 O PRO A 83 14.504 -5.895 -8.476 1.00 0.00 O ATOM 1092 CB PRO A 83 14.305 -8.911 -7.416 1.00 0.00 C ATOM 1093 CG PRO A 83 13.552 -9.926 -6.647 1.00 0.00 C ATOM 1094 CD PRO A 83 12.175 -9.359 -6.517 1.00 0.00 C ATOM 0 HA PRO A 83 14.343 -7.080 -6.206 1.00 0.00 H new ATOM 0 HB2 PRO A 83 14.177 -9.050 -8.490 1.00 0.00 H new ATOM 0 HB3 PRO A 83 15.374 -8.969 -7.212 1.00 0.00 H new ATOM 0 HG2 PRO A 83 13.538 -10.885 -7.165 1.00 0.00 H new ATOM 0 HG3 PRO A 83 14.003 -10.098 -5.670 1.00 0.00 H new ATOM 0 HD2 PRO A 83 11.546 -9.635 -7.364 1.00 0.00 H new ATOM 0 HD3 PRO A 83 11.676 -9.720 -5.618 1.00 0.00 H new ATOM 1102 N ALA A 84 12.399 -6.605 -8.641 1.00 0.00 N ATOM 1103 CA ALA A 84 12.069 -5.737 -9.709 1.00 0.00 C ATOM 1104 C ALA A 84 12.096 -4.306 -9.216 1.00 0.00 C ATOM 1105 O ALA A 84 12.326 -3.368 -9.980 1.00 0.00 O ATOM 1106 CB ALA A 84 10.688 -6.111 -10.195 1.00 0.00 C ATOM 0 H ALA A 84 11.634 -7.209 -8.340 1.00 0.00 H new ATOM 0 HA ALA A 84 12.784 -5.828 -10.527 1.00 0.00 H new ATOM 0 HB1 ALA A 84 10.404 -5.458 -11.020 1.00 0.00 H new ATOM 0 HB2 ALA A 84 10.690 -7.147 -10.535 1.00 0.00 H new ATOM 0 HB3 ALA A 84 9.973 -5.998 -9.380 1.00 0.00 H new ATOM 1112 N CYS A 85 11.801 -4.153 -7.927 1.00 0.00 N ATOM 1113 CA CYS A 85 11.734 -2.847 -7.327 1.00 0.00 C ATOM 1114 C CYS A 85 12.933 -2.420 -6.443 1.00 0.00 C ATOM 1115 O CYS A 85 13.214 -1.222 -6.422 1.00 0.00 O ATOM 1116 CB CYS A 85 10.424 -2.671 -6.555 1.00 0.00 C ATOM 1117 SG CYS A 85 9.123 -1.824 -7.504 1.00 0.00 S ATOM 0 H CYS A 85 11.607 -4.924 -7.288 1.00 0.00 H new ATOM 0 HA CYS A 85 11.780 -2.174 -8.183 1.00 0.00 H new ATOM 0 HB2 CYS A 85 10.058 -3.651 -6.249 1.00 0.00 H new ATOM 0 HB3 CYS A 85 10.623 -2.106 -5.644 1.00 0.00 H new ATOM 1122 N ASP A 86 13.639 -3.317 -5.679 1.00 0.00 N ATOM 1123 CA ASP A 86 14.747 -2.769 -4.815 1.00 0.00 C ATOM 1124 C ASP A 86 15.425 -3.631 -3.709 1.00 0.00 C ATOM 1125 O ASP A 86 16.515 -3.259 -3.273 1.00 0.00 O ATOM 1126 CB ASP A 86 14.147 -1.633 -3.997 1.00 0.00 C ATOM 1127 CG ASP A 86 15.172 -0.714 -3.354 1.00 0.00 C ATOM 1128 OD1 ASP A 86 15.872 -1.159 -2.420 1.00 0.00 O ATOM 1129 OD2 ASP A 86 15.256 0.462 -3.768 1.00 0.00 O ATOM 0 H ASP A 86 13.486 -4.325 -5.638 1.00 0.00 H new ATOM 0 HA ASP A 86 15.516 -2.579 -5.563 1.00 0.00 H new ATOM 0 HB2 ASP A 86 13.499 -1.040 -4.642 1.00 0.00 H new ATOM 0 HB3 ASP A 86 13.517 -2.058 -3.216 1.00 0.00 H new ATOM 1134 N PRO A 87 14.805 -4.668 -3.123 1.00 0.00 N ATOM 1135 CA PRO A 87 15.374 -5.369 -1.975 1.00 0.00 C ATOM 1136 C PRO A 87 16.010 -6.665 -2.359 1.00 0.00 C ATOM 1137 O PRO A 87 17.232 -6.814 -2.384 1.00 0.00 O ATOM 1138 CB PRO A 87 14.117 -5.607 -1.114 1.00 0.00 C ATOM 1139 CG PRO A 87 12.964 -5.191 -1.983 1.00 0.00 C ATOM 1140 CD PRO A 87 13.500 -5.214 -3.382 1.00 0.00 C ATOM 0 HA PRO A 87 16.171 -4.815 -1.479 1.00 0.00 H new ATOM 0 HB2 PRO A 87 14.032 -6.653 -0.821 1.00 0.00 H new ATOM 0 HB3 PRO A 87 14.151 -5.020 -0.196 1.00 0.00 H new ATOM 0 HG2 PRO A 87 12.121 -5.873 -1.873 1.00 0.00 H new ATOM 0 HG3 PRO A 87 12.607 -4.197 -1.714 1.00 0.00 H new ATOM 0 HD2 PRO A 87 13.538 -6.219 -3.803 1.00 0.00 H new ATOM 0 HD3 PRO A 87 12.915 -4.602 -4.069 1.00 0.00 H new ATOM 1148 N GLU A 88 15.148 -7.570 -2.739 1.00 0.00 N ATOM 1149 CA GLU A 88 15.567 -8.854 -3.232 1.00 0.00 C ATOM 1150 C GLU A 88 16.163 -8.591 -4.617 1.00 0.00 C ATOM 1151 O GLU A 88 16.744 -9.459 -5.269 1.00 0.00 O ATOM 1152 CB GLU A 88 14.361 -9.806 -3.280 1.00 0.00 C ATOM 1153 CG GLU A 88 14.711 -11.256 -3.576 1.00 0.00 C ATOM 1154 CD GLU A 88 14.174 -12.215 -2.527 1.00 0.00 C ATOM 1155 OE1 GLU A 88 14.498 -12.035 -1.333 1.00 0.00 O ATOM 1156 OE2 GLU A 88 13.432 -13.147 -2.901 1.00 0.00 O ATOM 0 H GLU A 88 14.137 -7.438 -2.715 1.00 0.00 H new ATOM 0 HA GLU A 88 16.307 -9.334 -2.592 1.00 0.00 H new ATOM 0 HB2 GLU A 88 13.840 -9.760 -2.324 1.00 0.00 H new ATOM 0 HB3 GLU A 88 13.665 -9.451 -4.040 1.00 0.00 H new ATOM 0 HG2 GLU A 88 14.310 -11.530 -4.552 1.00 0.00 H new ATOM 0 HG3 GLU A 88 15.794 -11.359 -3.636 1.00 0.00 H new ATOM 1163 N ALA A 89 16.011 -7.320 -4.999 1.00 0.00 N ATOM 1164 CA ALA A 89 16.490 -6.735 -6.229 1.00 0.00 C ATOM 1165 C ALA A 89 17.995 -6.527 -6.196 1.00 0.00 C ATOM 1166 O ALA A 89 18.714 -7.148 -5.416 1.00 0.00 O ATOM 1167 CB ALA A 89 15.823 -5.379 -6.360 1.00 0.00 C ATOM 0 H ALA A 89 15.520 -6.642 -4.416 1.00 0.00 H new ATOM 0 HA ALA A 89 16.258 -7.398 -7.063 1.00 0.00 H new ATOM 0 HB1 ALA A 89 16.156 -4.897 -7.279 1.00 0.00 H new ATOM 0 HB2 ALA A 89 14.741 -5.507 -6.389 1.00 0.00 H new ATOM 0 HB3 ALA A 89 16.092 -4.757 -5.506 1.00 0.00 H new ATOM 1173 N ALA A 90 18.435 -5.575 -7.002 1.00 0.00 N ATOM 1174 CA ALA A 90 19.815 -5.163 -7.046 1.00 0.00 C ATOM 1175 C ALA A 90 20.126 -4.475 -5.728 1.00 0.00 C ATOM 1176 O ALA A 90 19.235 -4.348 -4.888 1.00 0.00 O ATOM 1177 CB ALA A 90 20.015 -4.182 -8.187 1.00 0.00 C ATOM 0 H ALA A 90 17.832 -5.065 -7.648 1.00 0.00 H new ATOM 0 HA ALA A 90 20.470 -6.020 -7.201 1.00 0.00 H new ATOM 0 HB1 ALA A 90 21.059 -3.870 -8.220 1.00 0.00 H new ATOM 0 HB2 ALA A 90 19.749 -4.661 -9.129 1.00 0.00 H new ATOM 0 HB3 ALA A 90 19.381 -3.309 -8.032 1.00 0.00 H new ATOM 1183 N PHE A 91 21.342 -3.982 -5.543 1.00 0.00 N ATOM 1184 CA PHE A 91 21.641 -3.263 -4.313 1.00 0.00 C ATOM 1185 C PHE A 91 20.979 -1.896 -4.432 1.00 0.00 C ATOM 1186 O PHE A 91 21.636 -0.854 -4.471 1.00 0.00 O ATOM 1187 CB PHE A 91 23.149 -3.123 -4.106 1.00 0.00 C ATOM 1188 CG PHE A 91 23.523 -2.815 -2.682 1.00 0.00 C ATOM 1189 CD1 PHE A 91 23.541 -1.506 -2.223 1.00 0.00 C ATOM 1190 CD2 PHE A 91 23.851 -3.834 -1.800 1.00 0.00 C ATOM 1191 CE1 PHE A 91 23.881 -1.220 -0.913 1.00 0.00 C ATOM 1192 CE2 PHE A 91 24.192 -3.554 -0.490 1.00 0.00 C ATOM 1193 CZ PHE A 91 24.208 -2.245 -0.046 1.00 0.00 C ATOM 0 H PHE A 91 22.115 -4.062 -6.204 1.00 0.00 H new ATOM 0 HA PHE A 91 21.260 -3.806 -3.448 1.00 0.00 H new ATOM 0 HB2 PHE A 91 23.639 -4.047 -4.412 1.00 0.00 H new ATOM 0 HB3 PHE A 91 23.527 -2.332 -4.754 1.00 0.00 H new ATOM 0 HD1 PHE A 91 23.287 -0.701 -2.896 1.00 0.00 H new ATOM 0 HD2 PHE A 91 23.840 -4.859 -2.141 1.00 0.00 H new ATOM 0 HE1 PHE A 91 23.891 -0.197 -0.568 1.00 0.00 H new ATOM 0 HE2 PHE A 91 24.446 -4.357 0.186 1.00 0.00 H new ATOM 0 HZ PHE A 91 24.476 -2.024 0.977 1.00 0.00 H new ATOM 1203 N SER A 92 19.653 -1.944 -4.533 1.00 0.00 N ATOM 1204 CA SER A 92 18.819 -0.770 -4.700 1.00 0.00 C ATOM 1205 C SER A 92 18.255 -0.288 -3.366 1.00 0.00 C ATOM 1206 O SER A 92 18.345 -1.049 -2.379 1.00 0.00 O ATOM 1207 CB SER A 92 17.691 -1.110 -5.691 1.00 0.00 C ATOM 1208 OG SER A 92 16.594 -0.234 -5.539 1.00 0.00 O ATOM 1209 OXT SER A 92 17.724 0.842 -3.319 1.00 0.00 O ATOM 0 H SER A 92 19.125 -2.816 -4.500 1.00 0.00 H new ATOM 0 HA SER A 92 19.422 0.048 -5.095 1.00 0.00 H new ATOM 0 HB2 SER A 92 18.070 -1.049 -6.711 1.00 0.00 H new ATOM 0 HB3 SER A 92 17.363 -2.138 -5.534 1.00 0.00 H new ATOM 0 HG SER A 92 16.747 0.350 -4.767 1.00 0.00 H new TER 1215 SER A 92