USER MOD reduce.3.24.130724 H: found=0, std=0, add=1001, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 1001 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 56 ASN : amide:sc= -0.146 K(o=-0.56,f=0.078!) USER MOD Set 1.2: A 106 GLN : amide:sc= -0.414 K(o=-0.56,f=0.078) USER MOD Set 2.1: A 70 TYR OH : rot -32:sc= 0.367 USER MOD Set 2.2: A 87 GLN : amide:sc= -0.838 X(o=-0.47,f=-0.19) USER MOD Single : A 1 ALA N :NH3+ -111:sc= 0.185 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 12:sc= 0.62 USER MOD Single : A 9 LYS NZ :NH3+ 158:sc= -0.0299 (180deg=-0.269) USER MOD Single : A 15 LYS NZ :NH3+ -145:sc= -0.105 (180deg=-1.1) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 72:sc= 0.772 USER MOD Single : A 25 GLN : amide:sc= -0.933 K(o=-0.93,f=-0.27) USER MOD Single : A 27 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.0461 USER MOD Single : A 35 THR OG1 : rot 72:sc= 1.19 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot -126:sc= 0.843 USER MOD Single : A 42 HIS : no HE2:sc= -2.14 K(o=-2.1,f=-4.7!) USER MOD Single : A 44 TYR OH : rot 70:sc= -0.461 USER MOD Single : A 49 HIS : no HD1:sc= -0.283 X(o=-0.28,f=0) USER MOD Single : A 55 ASN : amide:sc= -0.286 X(o=-0.29,f=-0.024) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 156:sc= 1.2 USER MOD Single : A 74 LYS NZ :NH3+ -146:sc= 2.18 (180deg=0.654) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00914) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 88 LYS NZ :NH3+ -164:sc= -0.0102 (180deg=-0.187) USER MOD Single : A 92 THR OG1 : rot 169:sc= 1.07 USER MOD Single : A 98 TYR OH : rot -168:sc= 0.419 USER MOD Single : A 100 ASN : amide:sc= -5.75! C(o=-5.7!,f=-3.6!) USER MOD Single : A 101 SER OG : rot 180:sc= -0.0194 USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 MET CE :methyl -117:sc= -0.54 (180deg=-2.38!) USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 113 HIS : no HD1:sc= -7.31! C(o=-7.3!,f=-23!) USER MOD Single : A 114 SER OG : rot -99:sc= -0.717 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 ASN : amide:sc= -0.0741 X(o=-0.074,f=-0.39) USER MOD Single : A 120 ASN : amide:sc= -0.0393 X(o=-0.039,f=-0.039) USER MOD Single : A 121 GLN : amide:sc= -2.29 K(o=-2.3,f=-0.0078) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 LYS NZ :NH3+ -177:sc= -0.699! (180deg=-0.765!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -14.269 10.228 5.770 1.00 0.00 N ATOM 2 CA ALA A 1 -14.421 10.427 4.311 1.00 0.00 C ATOM 3 C ALA A 1 -13.745 9.270 3.576 1.00 0.00 C ATOM 4 O ALA A 1 -12.919 8.612 4.191 1.00 0.00 O ATOM 5 CB ALA A 1 -13.864 11.789 3.862 1.00 0.00 C ATOM 0 H1 ALA A 1 -15.195 10.009 6.189 1.00 0.00 H new ATOM 0 H2 ALA A 1 -13.614 9.440 5.946 1.00 0.00 H new ATOM 0 H3 ALA A 1 -13.891 11.095 6.201 1.00 0.00 H new ATOM 0 HA ALA A 1 -15.482 10.434 4.062 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -13.994 11.898 2.785 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -14.399 12.588 4.375 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -12.804 11.847 4.107 1.00 0.00 H new ATOM 13 N PRO A 2 -14.123 8.988 2.315 1.00 0.00 N ATOM 14 CA PRO A 2 -13.488 7.947 1.502 1.00 0.00 C ATOM 15 C PRO A 2 -12.077 8.337 1.031 1.00 0.00 C ATOM 16 O PRO A 2 -11.207 7.500 0.840 1.00 0.00 O ATOM 17 CB PRO A 2 -14.451 7.745 0.320 1.00 0.00 C ATOM 18 CG PRO A 2 -15.157 9.085 0.167 1.00 0.00 C ATOM 19 CD PRO A 2 -15.245 9.591 1.602 1.00 0.00 C ATOM 0 HA PRO A 2 -13.332 7.032 2.074 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -13.913 7.475 -0.588 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -15.162 6.943 0.520 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -14.593 9.768 -0.468 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -16.144 8.973 -0.283 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -15.188 10.679 1.635 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -16.194 9.307 2.058 1.00 0.00 H new ATOM 27 N ILE A 3 -11.835 9.624 0.818 1.00 0.00 N ATOM 28 CA ILE A 3 -10.517 10.147 0.467 1.00 0.00 C ATOM 29 C ILE A 3 -9.721 10.394 1.744 1.00 0.00 C ATOM 30 O ILE A 3 -10.242 10.991 2.688 1.00 0.00 O ATOM 31 CB ILE A 3 -10.675 11.405 -0.411 1.00 0.00 C ATOM 32 CG1 ILE A 3 -9.343 11.900 -1.012 1.00 0.00 C ATOM 33 CG2 ILE A 3 -11.353 12.579 0.308 1.00 0.00 C ATOM 34 CD1 ILE A 3 -8.806 10.956 -2.083 1.00 0.00 C ATOM 0 H ILE A 3 -12.555 10.344 0.884 1.00 0.00 H new ATOM 0 HA ILE A 3 -9.955 9.425 -0.125 1.00 0.00 H new ATOM 0 HB ILE A 3 -11.327 11.069 -1.217 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -9.487 12.891 -1.443 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -8.604 12.003 -0.217 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -11.429 13.427 -0.372 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -12.351 12.281 0.630 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -10.761 12.864 1.178 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -7.868 11.347 -2.476 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -8.635 9.972 -1.648 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -9.532 10.874 -2.892 1.00 0.00 H new ATOM 46 N VAL A 4 -8.476 9.928 1.739 1.00 0.00 N ATOM 47 CA VAL A 4 -7.492 10.099 2.808 1.00 0.00 C ATOM 48 C VAL A 4 -6.180 10.646 2.246 1.00 0.00 C ATOM 49 O VAL A 4 -6.040 10.912 1.040 1.00 0.00 O ATOM 50 CB VAL A 4 -7.325 8.812 3.663 1.00 0.00 C ATOM 51 CG1 VAL A 4 -8.526 8.680 4.603 1.00 0.00 C ATOM 52 CG2 VAL A 4 -7.117 7.478 2.918 1.00 0.00 C ATOM 0 H VAL A 4 -8.106 9.395 0.952 1.00 0.00 H new ATOM 0 HA VAL A 4 -7.866 10.847 3.507 1.00 0.00 H new ATOM 0 HB VAL A 4 -6.381 8.966 4.186 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -8.418 7.779 5.207 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -8.575 9.551 5.256 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -9.442 8.615 4.016 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -7.016 6.669 3.642 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -7.974 7.284 2.274 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -6.213 7.537 2.311 1.00 0.00 H new ATOM 62 N THR A 5 -5.222 10.903 3.129 1.00 0.00 N ATOM 63 CA THR A 5 -3.899 11.380 2.768 1.00 0.00 C ATOM 64 C THR A 5 -2.884 10.890 3.802 1.00 0.00 C ATOM 65 O THR A 5 -2.869 11.390 4.917 1.00 0.00 O ATOM 66 CB THR A 5 -3.845 12.910 2.592 1.00 0.00 C ATOM 67 OG1 THR A 5 -4.571 13.321 1.446 1.00 0.00 O ATOM 68 CG2 THR A 5 -2.425 13.273 2.244 1.00 0.00 C ATOM 0 H THR A 5 -5.349 10.782 4.134 1.00 0.00 H new ATOM 0 HA THR A 5 -3.643 10.966 1.793 1.00 0.00 H new ATOM 0 HB THR A 5 -4.234 13.365 3.503 1.00 0.00 H new ATOM 0 HG1 THR A 5 -5.106 12.571 1.111 1.00 0.00 H new ATOM 0 HG21 THR A 5 -2.347 14.352 2.111 1.00 0.00 H new ATOM 0 HG22 THR A 5 -1.761 12.958 3.049 1.00 0.00 H new ATOM 0 HG23 THR A 5 -2.138 12.772 1.320 1.00 0.00 H new ATOM 76 N CYS A 6 -1.979 9.982 3.409 1.00 0.00 N ATOM 77 CA CYS A 6 -0.880 9.553 4.287 1.00 0.00 C ATOM 78 C CYS A 6 0.019 10.735 4.728 1.00 0.00 C ATOM 79 O CYS A 6 0.014 11.782 4.069 1.00 0.00 O ATOM 80 CB CYS A 6 0.026 8.557 3.556 1.00 0.00 C ATOM 81 SG CYS A 6 -0.339 6.780 3.458 1.00 0.00 S ATOM 0 H CYS A 6 -1.986 9.532 2.494 1.00 0.00 H new ATOM 0 HA CYS A 6 -1.350 9.105 5.162 1.00 0.00 H new ATOM 0 HB2 CYS A 6 0.113 8.913 2.529 1.00 0.00 H new ATOM 0 HB3 CYS A 6 1.013 8.646 4.009 1.00 0.00 H new ATOM 86 N ARG A 7 0.911 10.524 5.717 1.00 0.00 N ATOM 87 CA ARG A 7 1.881 11.517 6.239 1.00 0.00 C ATOM 88 C ARG A 7 3.381 11.162 6.012 1.00 0.00 C ATOM 89 O ARG A 7 4.190 11.279 6.921 1.00 0.00 O ATOM 90 CB ARG A 7 1.521 11.801 7.721 1.00 0.00 C ATOM 91 CG ARG A 7 2.135 13.088 8.300 1.00 0.00 C ATOM 92 CD ARG A 7 1.508 14.363 7.721 1.00 0.00 C ATOM 93 NE ARG A 7 0.336 14.784 8.503 1.00 0.00 N ATOM 94 CZ ARG A 7 -0.299 15.932 8.397 1.00 0.00 C ATOM 95 NH1 ARG A 7 0.045 16.817 7.500 1.00 0.00 N ATOM 96 NH2 ARG A 7 -1.283 16.229 9.194 1.00 0.00 N ATOM 0 H ARG A 7 0.981 9.625 6.194 1.00 0.00 H new ATOM 0 HA ARG A 7 1.783 12.431 5.653 1.00 0.00 H new ATOM 0 HB2 ARG A 7 0.436 11.860 7.812 1.00 0.00 H new ATOM 0 HB3 ARG A 7 1.846 10.956 8.327 1.00 0.00 H new ATOM 0 HG2 ARG A 7 2.011 13.088 9.383 1.00 0.00 H new ATOM 0 HG3 ARG A 7 3.207 13.094 8.102 1.00 0.00 H new ATOM 0 HD2 ARG A 7 2.248 15.163 7.712 1.00 0.00 H new ATOM 0 HD3 ARG A 7 1.214 14.189 6.686 1.00 0.00 H new ATOM 0 HE ARG A 7 -0.019 14.123 9.194 1.00 0.00 H new ATOM 0 HH11 ARG A 7 0.819 16.625 6.864 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -0.461 17.700 7.435 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -1.573 15.568 9.915 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -1.765 17.123 9.098 1.00 0.00 H new ATOM 110 N PRO A 8 3.806 10.784 4.787 1.00 0.00 N ATOM 111 CA PRO A 8 5.199 10.473 4.462 1.00 0.00 C ATOM 112 C PRO A 8 6.097 11.707 4.470 1.00 0.00 C ATOM 113 O PRO A 8 5.667 12.832 4.697 1.00 0.00 O ATOM 114 CB PRO A 8 5.171 9.857 3.064 1.00 0.00 C ATOM 115 CG PRO A 8 3.960 10.497 2.428 1.00 0.00 C ATOM 116 CD PRO A 8 3.004 10.717 3.588 1.00 0.00 C ATOM 0 HA PRO A 8 5.615 9.800 5.211 1.00 0.00 H new ATOM 0 HB2 PRO A 8 6.082 10.079 2.508 1.00 0.00 H new ATOM 0 HB3 PRO A 8 5.078 8.772 3.104 1.00 0.00 H new ATOM 0 HG2 PRO A 8 4.216 11.437 1.939 1.00 0.00 H new ATOM 0 HG3 PRO A 8 3.521 9.851 1.667 1.00 0.00 H new ATOM 0 HD2 PRO A 8 2.437 11.638 3.451 1.00 0.00 H new ATOM 0 HD3 PRO A 8 2.281 9.904 3.652 1.00 0.00 H new ATOM 124 N LYS A 9 7.377 11.509 4.152 1.00 0.00 N ATOM 125 CA LYS A 9 8.398 12.551 4.091 1.00 0.00 C ATOM 126 C LYS A 9 8.911 12.694 2.663 1.00 0.00 C ATOM 127 O LYS A 9 9.351 11.702 2.087 1.00 0.00 O ATOM 128 CB LYS A 9 9.529 12.182 5.049 1.00 0.00 C ATOM 129 CG LYS A 9 10.138 13.437 5.662 1.00 0.00 C ATOM 130 CD LYS A 9 11.348 13.027 6.511 1.00 0.00 C ATOM 131 CE LYS A 9 11.511 13.953 7.717 1.00 0.00 C ATOM 132 NZ LYS A 9 10.416 13.789 8.710 1.00 0.00 N ATOM 0 H LYS A 9 7.742 10.585 3.922 1.00 0.00 H new ATOM 0 HA LYS A 9 7.977 13.511 4.390 1.00 0.00 H new ATOM 0 HB2 LYS A 9 9.149 11.532 5.837 1.00 0.00 H new ATOM 0 HB3 LYS A 9 10.297 11.621 4.516 1.00 0.00 H new ATOM 0 HG2 LYS A 9 10.443 14.131 4.879 1.00 0.00 H new ATOM 0 HG3 LYS A 9 9.401 13.954 6.277 1.00 0.00 H new ATOM 0 HD2 LYS A 9 11.226 11.999 6.852 1.00 0.00 H new ATOM 0 HD3 LYS A 9 12.251 13.056 5.901 1.00 0.00 H new ATOM 0 HE2 LYS A 9 12.468 13.752 8.199 1.00 0.00 H new ATOM 0 HE3 LYS A 9 11.537 14.988 7.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 10.736 14.129 9.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 9.587 14.340 8.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 10.158 12.784 8.779 1.00 0.00 H new ATOM 146 N LEU A 10 8.807 13.911 2.127 1.00 0.00 N ATOM 147 CA LEU A 10 9.302 14.266 0.792 1.00 0.00 C ATOM 148 C LEU A 10 10.501 15.210 0.925 1.00 0.00 C ATOM 149 O LEU A 10 11.640 14.778 0.925 1.00 0.00 O ATOM 150 CB LEU A 10 8.143 14.848 -0.032 1.00 0.00 C ATOM 151 CG LEU A 10 8.223 14.731 -1.568 1.00 0.00 C ATOM 152 CD1 LEU A 10 9.561 14.974 -2.269 1.00 0.00 C ATOM 153 CD2 LEU A 10 7.515 13.443 -1.996 1.00 0.00 C ATOM 0 H LEU A 10 8.369 14.692 2.615 1.00 0.00 H new ATOM 0 HA LEU A 10 9.662 13.388 0.255 1.00 0.00 H new ATOM 0 HB2 LEU A 10 7.223 14.362 0.294 1.00 0.00 H new ATOM 0 HB3 LEU A 10 8.051 15.905 0.219 1.00 0.00 H new ATOM 0 HG LEU A 10 7.700 15.611 -1.942 1.00 0.00 H new ATOM 0 HD11 LEU A 10 9.436 14.851 -3.345 1.00 0.00 H new ATOM 0 HD12 LEU A 10 9.904 15.987 -2.057 1.00 0.00 H new ATOM 0 HD13 LEU A 10 10.298 14.258 -1.905 1.00 0.00 H new ATOM 0 HD21 LEU A 10 7.562 13.345 -3.081 1.00 0.00 H new ATOM 0 HD22 LEU A 10 8.005 12.587 -1.532 1.00 0.00 H new ATOM 0 HD23 LEU A 10 6.472 13.479 -1.680 1.00 0.00 H new ATOM 165 N ASP A 11 10.263 16.512 1.099 1.00 0.00 N ATOM 166 CA ASP A 11 11.327 17.526 1.150 1.00 0.00 C ATOM 167 C ASP A 11 11.854 17.730 2.585 1.00 0.00 C ATOM 168 O ASP A 11 11.791 18.820 3.153 1.00 0.00 O ATOM 169 CB ASP A 11 10.781 18.814 0.522 1.00 0.00 C ATOM 170 CG ASP A 11 11.874 19.794 0.096 1.00 0.00 C ATOM 171 OD1 ASP A 11 12.893 19.321 -0.435 1.00 0.00 O ATOM 172 OD2 ASP A 11 11.645 21.015 0.284 1.00 0.00 O ATOM 0 H ASP A 11 9.325 16.897 1.209 1.00 0.00 H new ATOM 0 HA ASP A 11 12.194 17.194 0.579 1.00 0.00 H new ATOM 0 HB2 ASP A 11 10.175 18.557 -0.347 1.00 0.00 H new ATOM 0 HB3 ASP A 11 10.121 19.306 1.236 1.00 0.00 H new ATOM 177 N GLY A 12 12.208 16.628 3.253 1.00 0.00 N ATOM 178 CA GLY A 12 12.584 16.588 4.679 1.00 0.00 C ATOM 179 C GLY A 12 11.472 17.001 5.662 1.00 0.00 C ATOM 180 O GLY A 12 11.692 17.016 6.873 1.00 0.00 O ATOM 0 H GLY A 12 12.244 15.711 2.809 1.00 0.00 H new ATOM 0 HA2 GLY A 12 12.907 15.576 4.925 1.00 0.00 H new ATOM 0 HA3 GLY A 12 13.442 17.242 4.831 1.00 0.00 H new ATOM 184 N ARG A 13 10.266 17.289 5.162 1.00 0.00 N ATOM 185 CA ARG A 13 9.051 17.672 5.895 1.00 0.00 C ATOM 186 C ARG A 13 7.938 16.690 5.558 1.00 0.00 C ATOM 187 O ARG A 13 7.856 16.221 4.423 1.00 0.00 O ATOM 188 CB ARG A 13 8.654 19.119 5.533 1.00 0.00 C ATOM 189 CG ARG A 13 9.690 20.137 6.038 1.00 0.00 C ATOM 190 CD ARG A 13 9.300 21.587 5.712 1.00 0.00 C ATOM 191 NE ARG A 13 9.329 21.873 4.257 1.00 0.00 N ATOM 192 CZ ARG A 13 10.385 22.117 3.490 1.00 0.00 C ATOM 193 NH1 ARG A 13 11.582 22.232 3.980 1.00 0.00 N ATOM 194 NH2 ARG A 13 10.255 22.252 2.203 1.00 0.00 N ATOM 0 H ARG A 13 10.099 17.259 4.156 1.00 0.00 H new ATOM 0 HA ARG A 13 9.233 17.636 6.969 1.00 0.00 H new ATOM 0 HB2 ARG A 13 8.553 19.209 4.451 1.00 0.00 H new ATOM 0 HB3 ARG A 13 7.679 19.348 5.964 1.00 0.00 H new ATOM 0 HG2 ARG A 13 9.804 20.029 7.117 1.00 0.00 H new ATOM 0 HG3 ARG A 13 10.659 19.916 5.591 1.00 0.00 H new ATOM 0 HD2 ARG A 13 8.300 21.786 6.098 1.00 0.00 H new ATOM 0 HD3 ARG A 13 9.980 22.266 6.226 1.00 0.00 H new ATOM 0 HE ARG A 13 8.424 21.884 3.786 1.00 0.00 H new ATOM 0 HH11 ARG A 13 11.734 22.135 4.984 1.00 0.00 H new ATOM 0 HH12 ARG A 13 12.371 22.420 3.361 1.00 0.00 H new ATOM 0 HH21 ARG A 13 9.334 22.171 1.772 1.00 0.00 H new ATOM 0 HH22 ARG A 13 11.074 22.439 1.625 1.00 0.00 H new ATOM 208 N GLU A 14 7.119 16.370 6.557 1.00 0.00 N ATOM 209 CA GLU A 14 5.938 15.509 6.459 1.00 0.00 C ATOM 210 C GLU A 14 4.955 16.022 5.390 1.00 0.00 C ATOM 211 O GLU A 14 4.193 16.969 5.610 1.00 0.00 O ATOM 212 CB GLU A 14 5.260 15.425 7.823 1.00 0.00 C ATOM 213 CG GLU A 14 6.086 14.684 8.873 1.00 0.00 C ATOM 214 CD GLU A 14 5.352 14.818 10.202 1.00 0.00 C ATOM 215 OE1 GLU A 14 5.592 15.859 10.853 1.00 0.00 O ATOM 216 OE2 GLU A 14 4.516 13.941 10.498 1.00 0.00 O ATOM 0 H GLU A 14 7.266 16.720 7.504 1.00 0.00 H new ATOM 0 HA GLU A 14 6.256 14.513 6.152 1.00 0.00 H new ATOM 0 HB2 GLU A 14 5.055 16.434 8.180 1.00 0.00 H new ATOM 0 HB3 GLU A 14 4.298 14.925 7.711 1.00 0.00 H new ATOM 0 HG2 GLU A 14 6.201 13.635 8.601 1.00 0.00 H new ATOM 0 HG3 GLU A 14 7.088 15.107 8.943 1.00 0.00 H new ATOM 223 N LYS A 15 5.029 15.443 4.189 1.00 0.00 N ATOM 224 CA LYS A 15 4.276 15.858 3.012 1.00 0.00 C ATOM 225 C LYS A 15 3.041 14.957 2.850 1.00 0.00 C ATOM 226 O LYS A 15 3.191 13.747 2.741 1.00 0.00 O ATOM 227 CB LYS A 15 5.155 15.812 1.753 1.00 0.00 C ATOM 228 CG LYS A 15 4.385 16.500 0.613 1.00 0.00 C ATOM 229 CD LYS A 15 5.060 16.454 -0.758 1.00 0.00 C ATOM 230 CE LYS A 15 6.008 17.644 -0.968 1.00 0.00 C ATOM 231 NZ LYS A 15 6.362 17.813 -2.402 1.00 0.00 N ATOM 0 H LYS A 15 5.637 14.645 4.007 1.00 0.00 H new ATOM 0 HA LYS A 15 3.949 16.889 3.146 1.00 0.00 H new ATOM 0 HB2 LYS A 15 6.104 16.317 1.932 1.00 0.00 H new ATOM 0 HB3 LYS A 15 5.388 14.781 1.488 1.00 0.00 H new ATOM 0 HG2 LYS A 15 3.402 16.037 0.530 1.00 0.00 H new ATOM 0 HG3 LYS A 15 4.224 17.543 0.885 1.00 0.00 H new ATOM 0 HD2 LYS A 15 5.618 15.523 -0.857 1.00 0.00 H new ATOM 0 HD3 LYS A 15 4.299 16.454 -1.538 1.00 0.00 H new ATOM 0 HE2 LYS A 15 5.537 18.555 -0.599 1.00 0.00 H new ATOM 0 HE3 LYS A 15 6.916 17.495 -0.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 7.344 18.145 -2.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 6.264 16.902 -2.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 5.725 18.511 -2.837 1.00 0.00 H new ATOM 245 N PRO A 16 1.826 15.510 2.764 1.00 0.00 N ATOM 246 CA PRO A 16 0.607 14.720 2.593 1.00 0.00 C ATOM 247 C PRO A 16 0.556 13.984 1.226 1.00 0.00 C ATOM 248 O PRO A 16 0.595 14.642 0.181 1.00 0.00 O ATOM 249 CB PRO A 16 -0.510 15.754 2.825 1.00 0.00 C ATOM 250 CG PRO A 16 0.093 17.084 2.405 1.00 0.00 C ATOM 251 CD PRO A 16 1.539 16.933 2.842 1.00 0.00 C ATOM 0 HA PRO A 16 0.522 13.884 3.287 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -1.395 15.518 2.235 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -0.819 15.773 3.870 1.00 0.00 H new ATOM 0 HG2 PRO A 16 0.007 17.249 1.331 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -0.395 17.926 2.896 1.00 0.00 H new ATOM 0 HD2 PRO A 16 2.205 17.503 2.195 1.00 0.00 H new ATOM 0 HD3 PRO A 16 1.683 17.307 3.856 1.00 0.00 H new ATOM 259 N PHE A 17 0.453 12.639 1.207 1.00 0.00 N ATOM 260 CA PHE A 17 0.293 11.832 -0.022 1.00 0.00 C ATOM 261 C PHE A 17 -1.174 11.457 -0.348 1.00 0.00 C ATOM 262 O PHE A 17 -1.781 10.629 0.329 1.00 0.00 O ATOM 263 CB PHE A 17 1.156 10.563 0.063 1.00 0.00 C ATOM 264 CG PHE A 17 1.915 10.257 -1.215 1.00 0.00 C ATOM 265 CD1 PHE A 17 1.284 10.399 -2.466 1.00 0.00 C ATOM 266 CD2 PHE A 17 3.256 9.826 -1.167 1.00 0.00 C ATOM 267 CE1 PHE A 17 2.006 10.158 -3.642 1.00 0.00 C ATOM 268 CE2 PHE A 17 3.968 9.556 -2.342 1.00 0.00 C ATOM 269 CZ PHE A 17 3.342 9.725 -3.585 1.00 0.00 C ATOM 0 H PHE A 17 0.479 12.075 2.056 1.00 0.00 H new ATOM 0 HA PHE A 17 0.630 12.466 -0.842 1.00 0.00 H new ATOM 0 HB2 PHE A 17 1.868 10.672 0.881 1.00 0.00 H new ATOM 0 HB3 PHE A 17 0.517 9.715 0.308 1.00 0.00 H new ATOM 0 HD1 PHE A 17 0.246 10.693 -2.519 1.00 0.00 H new ATOM 0 HD2 PHE A 17 3.741 9.702 -0.210 1.00 0.00 H new ATOM 0 HE1 PHE A 17 1.532 10.306 -4.601 1.00 0.00 H new ATOM 0 HE2 PHE A 17 4.993 9.220 -2.291 1.00 0.00 H new ATOM 0 HZ PHE A 17 3.885 9.523 -4.496 1.00 0.00 H new ATOM 279 N LYS A 18 -1.768 12.059 -1.390 1.00 0.00 N ATOM 280 CA LYS A 18 -3.149 11.822 -1.857 1.00 0.00 C ATOM 281 C LYS A 18 -3.409 10.348 -2.185 1.00 0.00 C ATOM 282 O LYS A 18 -2.662 9.774 -2.966 1.00 0.00 O ATOM 283 CB LYS A 18 -3.403 12.617 -3.146 1.00 0.00 C ATOM 284 CG LYS A 18 -3.208 14.135 -3.065 1.00 0.00 C ATOM 285 CD LYS A 18 -4.478 14.911 -2.677 1.00 0.00 C ATOM 286 CE LYS A 18 -4.795 14.797 -1.181 1.00 0.00 C ATOM 287 NZ LYS A 18 -5.699 15.874 -0.707 1.00 0.00 N ATOM 0 H LYS A 18 -1.281 12.754 -1.956 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.808 12.134 -1.047 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.742 12.229 -3.921 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -4.425 12.422 -3.471 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -2.426 14.352 -2.337 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -2.854 14.497 -4.030 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -4.354 15.961 -2.941 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -5.322 14.534 -3.255 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -5.254 13.829 -0.983 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -3.866 14.831 -0.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -5.882 15.751 0.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -5.252 16.799 -0.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -6.598 15.827 -1.228 1.00 0.00 H new ATOM 301 N VAL A 19 -4.488 9.786 -1.651 1.00 0.00 N ATOM 302 CA VAL A 19 -4.841 8.361 -1.720 1.00 0.00 C ATOM 303 C VAL A 19 -6.345 8.196 -1.529 1.00 0.00 C ATOM 304 O VAL A 19 -6.881 8.448 -0.452 1.00 0.00 O ATOM 305 CB VAL A 19 -4.099 7.548 -0.638 1.00 0.00 C ATOM 306 CG1 VAL A 19 -2.635 7.329 -1.005 1.00 0.00 C ATOM 307 CG2 VAL A 19 -4.108 8.203 0.749 1.00 0.00 C ATOM 0 H VAL A 19 -5.176 10.332 -1.133 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.544 7.986 -2.699 1.00 0.00 H new ATOM 0 HB VAL A 19 -4.648 6.608 -0.595 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.145 6.753 -0.220 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.574 6.784 -1.947 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.138 8.293 -1.111 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -3.567 7.571 1.453 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -3.627 9.179 0.693 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -5.137 8.325 1.087 1.00 0.00 H new ATOM 317 N ASP A 20 -7.072 7.847 -2.581 1.00 0.00 N ATOM 318 CA ASP A 20 -8.502 7.576 -2.476 1.00 0.00 C ATOM 319 C ASP A 20 -8.749 6.102 -2.112 1.00 0.00 C ATOM 320 O ASP A 20 -8.090 5.196 -2.629 1.00 0.00 O ATOM 321 CB ASP A 20 -9.179 8.005 -3.783 1.00 0.00 C ATOM 322 CG ASP A 20 -8.802 7.091 -4.928 1.00 0.00 C ATOM 323 OD1 ASP A 20 -7.618 7.142 -5.313 1.00 0.00 O ATOM 324 OD2 ASP A 20 -9.694 6.344 -5.374 1.00 0.00 O ATOM 0 H ASP A 20 -6.694 7.744 -3.523 1.00 0.00 H new ATOM 0 HA ASP A 20 -8.946 8.156 -1.667 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -10.261 7.999 -3.652 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -8.892 9.029 -4.024 1.00 0.00 H new ATOM 329 N VAL A 21 -9.717 5.853 -1.220 1.00 0.00 N ATOM 330 CA VAL A 21 -10.152 4.489 -0.868 1.00 0.00 C ATOM 331 C VAL A 21 -10.625 3.706 -2.088 1.00 0.00 C ATOM 332 O VAL A 21 -10.333 2.520 -2.202 1.00 0.00 O ATOM 333 CB VAL A 21 -11.273 4.516 0.186 1.00 0.00 C ATOM 334 CG1 VAL A 21 -12.575 5.143 -0.324 1.00 0.00 C ATOM 335 CG2 VAL A 21 -11.650 3.146 0.748 1.00 0.00 C ATOM 0 H VAL A 21 -10.221 6.587 -0.722 1.00 0.00 H new ATOM 0 HA VAL A 21 -9.279 3.985 -0.453 1.00 0.00 H new ATOM 0 HB VAL A 21 -10.828 5.127 0.972 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -13.321 5.129 0.470 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -12.388 6.173 -0.628 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -12.943 4.574 -1.177 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -12.447 3.261 1.483 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -11.993 2.502 -0.062 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -10.779 2.696 1.225 1.00 0.00 H new ATOM 345 N ALA A 22 -11.366 4.369 -2.983 1.00 0.00 N ATOM 346 CA ALA A 22 -11.970 3.772 -4.168 1.00 0.00 C ATOM 347 C ALA A 22 -10.916 3.007 -4.975 1.00 0.00 C ATOM 348 O ALA A 22 -11.042 1.799 -5.167 1.00 0.00 O ATOM 349 CB ALA A 22 -12.699 4.849 -4.991 1.00 0.00 C ATOM 0 H ALA A 22 -11.565 5.366 -2.895 1.00 0.00 H new ATOM 0 HA ALA A 22 -12.722 3.042 -3.870 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -13.146 4.392 -5.874 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -13.480 5.305 -4.383 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -11.987 5.614 -5.300 1.00 0.00 H new ATOM 355 N THR A 23 -9.836 3.677 -5.361 1.00 0.00 N ATOM 356 CA THR A 23 -8.673 3.070 -5.994 1.00 0.00 C ATOM 357 C THR A 23 -8.030 2.061 -5.053 1.00 0.00 C ATOM 358 O THR A 23 -7.933 0.899 -5.427 1.00 0.00 O ATOM 359 CB THR A 23 -7.678 4.113 -6.510 1.00 0.00 C ATOM 360 OG1 THR A 23 -8.383 4.914 -7.427 1.00 0.00 O ATOM 361 CG2 THR A 23 -6.505 3.453 -7.243 1.00 0.00 C ATOM 0 H THR A 23 -9.744 4.685 -5.238 1.00 0.00 H new ATOM 0 HA THR A 23 -9.012 2.532 -6.879 1.00 0.00 H new ATOM 0 HB THR A 23 -7.272 4.684 -5.675 1.00 0.00 H new ATOM 0 HG1 THR A 23 -9.014 5.487 -6.943 1.00 0.00 H new ATOM 0 HG21 THR A 23 -5.818 4.222 -7.596 1.00 0.00 H new ATOM 0 HG22 THR A 23 -5.981 2.783 -6.562 1.00 0.00 H new ATOM 0 HG23 THR A 23 -6.881 2.884 -8.093 1.00 0.00 H new ATOM 369 N ALA A 24 -7.615 2.436 -3.840 1.00 0.00 N ATOM 370 CA ALA A 24 -6.911 1.527 -2.934 1.00 0.00 C ATOM 371 C ALA A 24 -7.581 0.143 -2.779 1.00 0.00 C ATOM 372 O ALA A 24 -6.941 -0.897 -2.944 1.00 0.00 O ATOM 373 CB ALA A 24 -6.788 2.218 -1.585 1.00 0.00 C ATOM 0 H ALA A 24 -7.757 3.372 -3.461 1.00 0.00 H new ATOM 0 HA ALA A 24 -5.933 1.316 -3.366 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -6.266 1.563 -0.887 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -6.227 3.145 -1.701 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -7.782 2.441 -1.199 1.00 0.00 H new ATOM 379 N GLN A 25 -8.885 0.140 -2.513 1.00 0.00 N ATOM 380 CA GLN A 25 -9.747 -1.039 -2.460 1.00 0.00 C ATOM 381 C GLN A 25 -9.810 -1.755 -3.810 1.00 0.00 C ATOM 382 O GLN A 25 -9.656 -2.978 -3.856 1.00 0.00 O ATOM 383 CB GLN A 25 -11.166 -0.626 -2.035 1.00 0.00 C ATOM 384 CG GLN A 25 -12.126 -1.823 -1.960 1.00 0.00 C ATOM 385 CD GLN A 25 -11.786 -2.755 -0.813 1.00 0.00 C ATOM 386 OE1 GLN A 25 -11.003 -3.685 -0.914 1.00 0.00 O ATOM 387 NE2 GLN A 25 -12.385 -2.532 0.329 1.00 0.00 N ATOM 0 H GLN A 25 -9.395 1.002 -2.319 1.00 0.00 H new ATOM 0 HA GLN A 25 -9.322 -1.728 -1.730 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -11.123 -0.137 -1.062 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -11.556 0.105 -2.743 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -13.147 -1.461 -1.842 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -12.090 -2.376 -2.899 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -13.040 -1.756 0.418 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -12.196 -3.135 1.130 1.00 0.00 H new ATOM 396 N ALA A 26 -10.055 -1.015 -4.903 1.00 0.00 N ATOM 397 CA ALA A 26 -10.067 -1.568 -6.255 1.00 0.00 C ATOM 398 C ALA A 26 -8.807 -2.406 -6.507 1.00 0.00 C ATOM 399 O ALA A 26 -8.927 -3.546 -6.943 1.00 0.00 O ATOM 400 CB ALA A 26 -10.252 -0.460 -7.306 1.00 0.00 C ATOM 0 H ALA A 26 -10.250 -0.014 -4.868 1.00 0.00 H new ATOM 0 HA ALA A 26 -10.924 -2.235 -6.349 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -10.257 -0.901 -8.303 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -11.198 0.053 -7.131 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -9.432 0.254 -7.230 1.00 0.00 H new ATOM 406 N GLN A 27 -7.625 -1.895 -6.162 1.00 0.00 N ATOM 407 CA GLN A 27 -6.342 -2.581 -6.331 1.00 0.00 C ATOM 408 C GLN A 27 -6.242 -3.844 -5.452 1.00 0.00 C ATOM 409 O GLN A 27 -5.967 -4.936 -5.954 1.00 0.00 O ATOM 410 CB GLN A 27 -5.199 -1.603 -6.034 1.00 0.00 C ATOM 411 CG GLN A 27 -5.217 -0.269 -6.791 1.00 0.00 C ATOM 412 CD GLN A 27 -4.812 -0.300 -8.262 1.00 0.00 C ATOM 413 OE1 GLN A 27 -3.763 -0.784 -8.644 1.00 0.00 O ATOM 414 NE2 GLN A 27 -5.587 0.294 -9.148 1.00 0.00 N ATOM 0 H GLN A 27 -7.530 -0.968 -5.746 1.00 0.00 H new ATOM 0 HA GLN A 27 -6.265 -2.919 -7.365 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -5.205 -1.388 -4.966 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -4.257 -2.105 -6.253 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -6.224 0.144 -6.726 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -4.554 0.424 -6.272 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -6.472 0.708 -8.855 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -5.302 0.339 -10.126 1.00 0.00 H new ATOM 423 N ALA A 28 -6.553 -3.722 -4.157 1.00 0.00 N ATOM 424 CA ALA A 28 -6.563 -4.834 -3.204 1.00 0.00 C ATOM 425 C ALA A 28 -7.429 -6.005 -3.681 1.00 0.00 C ATOM 426 O ALA A 28 -6.994 -7.156 -3.709 1.00 0.00 O ATOM 427 CB ALA A 28 -7.072 -4.305 -1.865 1.00 0.00 C ATOM 0 H ALA A 28 -6.810 -2.830 -3.735 1.00 0.00 H new ATOM 0 HA ALA A 28 -5.549 -5.222 -3.107 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -7.089 -5.115 -1.136 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -6.411 -3.513 -1.512 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -8.079 -3.908 -1.990 1.00 0.00 H new ATOM 433 N ARG A 29 -8.667 -5.699 -4.090 1.00 0.00 N ATOM 434 CA ARG A 29 -9.612 -6.667 -4.654 1.00 0.00 C ATOM 435 C ARG A 29 -9.155 -7.211 -6.010 1.00 0.00 C ATOM 436 O ARG A 29 -9.307 -8.403 -6.259 1.00 0.00 O ATOM 437 CB ARG A 29 -11.008 -6.040 -4.733 1.00 0.00 C ATOM 438 CG ARG A 29 -12.042 -7.109 -5.107 1.00 0.00 C ATOM 439 CD ARG A 29 -13.441 -6.503 -5.106 1.00 0.00 C ATOM 440 NE ARG A 29 -14.480 -7.548 -5.090 1.00 0.00 N ATOM 441 CZ ARG A 29 -15.780 -7.342 -5.179 1.00 0.00 C ATOM 442 NH1 ARG A 29 -16.257 -6.145 -5.361 1.00 0.00 N ATOM 443 NH2 ARG A 29 -16.632 -8.324 -5.076 1.00 0.00 N ATOM 0 H ARG A 29 -9.045 -4.753 -4.036 1.00 0.00 H new ATOM 0 HA ARG A 29 -9.651 -7.529 -3.988 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -11.268 -5.590 -3.775 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -11.015 -5.240 -5.474 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -11.815 -7.518 -6.091 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -11.994 -7.936 -4.399 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -13.559 -5.857 -4.236 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -13.568 -5.875 -5.988 1.00 0.00 H new ATOM 0 HE ARG A 29 -14.167 -8.515 -5.002 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -15.623 -5.350 -5.437 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -17.265 -6.002 -5.428 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -16.298 -9.275 -4.923 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -17.633 -8.141 -5.148 1.00 0.00 H new ATOM 457 N LYS A 30 -8.620 -6.353 -6.888 1.00 0.00 N ATOM 458 CA LYS A 30 -8.114 -6.704 -8.230 1.00 0.00 C ATOM 459 C LYS A 30 -7.050 -7.789 -8.147 1.00 0.00 C ATOM 460 O LYS A 30 -7.090 -8.752 -8.918 1.00 0.00 O ATOM 461 CB LYS A 30 -7.528 -5.461 -8.937 1.00 0.00 C ATOM 462 CG LYS A 30 -7.125 -5.726 -10.398 1.00 0.00 C ATOM 463 CD LYS A 30 -8.349 -5.596 -11.313 1.00 0.00 C ATOM 464 CE LYS A 30 -8.562 -4.138 -11.753 1.00 0.00 C ATOM 465 NZ LYS A 30 -7.676 -3.747 -12.882 1.00 0.00 N ATOM 0 H LYS A 30 -8.522 -5.359 -6.680 1.00 0.00 H new ATOM 0 HA LYS A 30 -8.957 -7.081 -8.810 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -8.263 -4.656 -8.910 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -6.655 -5.114 -8.384 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -6.355 -5.019 -10.705 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -6.696 -6.724 -10.490 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -8.219 -6.228 -12.191 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -9.236 -5.954 -10.791 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -9.602 -3.999 -12.047 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -8.379 -3.476 -10.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -7.859 -2.756 -13.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -6.682 -3.852 -12.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -7.867 -4.359 -13.701 1.00 0.00 H new ATOM 479 N ALA A 31 -6.075 -7.575 -7.272 1.00 0.00 N ATOM 480 CA ALA A 31 -5.023 -8.530 -6.989 1.00 0.00 C ATOM 481 C ALA A 31 -5.523 -9.744 -6.189 1.00 0.00 C ATOM 482 O ALA A 31 -5.101 -10.868 -6.470 1.00 0.00 O ATOM 483 CB ALA A 31 -3.907 -7.784 -6.273 1.00 0.00 C ATOM 0 H ALA A 31 -5.996 -6.714 -6.731 1.00 0.00 H new ATOM 0 HA ALA A 31 -4.650 -8.952 -7.922 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.096 -8.475 -6.044 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.533 -6.986 -6.914 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.291 -7.356 -5.347 1.00 0.00 H new ATOM 489 N GLY A 32 -6.430 -9.532 -5.231 1.00 0.00 N ATOM 490 CA GLY A 32 -6.964 -10.569 -4.351 1.00 0.00 C ATOM 491 C GLY A 32 -6.011 -10.910 -3.199 1.00 0.00 C ATOM 492 O GLY A 32 -5.053 -10.192 -2.913 1.00 0.00 O ATOM 0 H GLY A 32 -6.822 -8.609 -5.043 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -7.919 -10.238 -3.942 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -7.161 -11.469 -4.933 1.00 0.00 H new ATOM 496 N LEU A 33 -6.262 -12.042 -2.538 1.00 0.00 N ATOM 497 CA LEU A 33 -5.454 -12.585 -1.437 1.00 0.00 C ATOM 498 C LEU A 33 -4.586 -13.758 -1.926 1.00 0.00 C ATOM 499 O LEU A 33 -4.420 -14.764 -1.234 1.00 0.00 O ATOM 500 CB LEU A 33 -6.379 -13.048 -0.300 1.00 0.00 C ATOM 501 CG LEU A 33 -7.357 -11.985 0.224 1.00 0.00 C ATOM 502 CD1 LEU A 33 -8.597 -12.640 0.822 1.00 0.00 C ATOM 503 CD2 LEU A 33 -6.707 -11.122 1.293 1.00 0.00 C ATOM 0 H LEU A 33 -7.064 -12.631 -2.762 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.791 -11.802 -1.068 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -6.953 -13.907 -0.648 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.763 -13.392 0.531 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.639 -11.362 -0.625 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -9.276 -11.869 1.187 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.099 -13.234 0.058 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -8.304 -13.286 1.649 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.422 -10.379 1.645 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.395 -11.750 2.128 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.836 -10.618 0.874 1.00 0.00 H new ATOM 515 N THR A 34 -4.089 -13.691 -3.163 1.00 0.00 N ATOM 516 CA THR A 34 -3.257 -14.753 -3.745 1.00 0.00 C ATOM 517 C THR A 34 -2.341 -14.221 -4.842 1.00 0.00 C ATOM 518 O THR A 34 -2.773 -13.513 -5.752 1.00 0.00 O ATOM 519 CB THR A 34 -4.115 -15.880 -4.344 1.00 0.00 C ATOM 520 OG1 THR A 34 -5.092 -16.338 -3.437 1.00 0.00 O ATOM 521 CG2 THR A 34 -3.260 -17.086 -4.751 1.00 0.00 C ATOM 0 H THR A 34 -4.250 -12.903 -3.790 1.00 0.00 H new ATOM 0 HA THR A 34 -2.654 -15.143 -2.925 1.00 0.00 H new ATOM 0 HB THR A 34 -4.597 -15.448 -5.221 1.00 0.00 H new ATOM 0 HG1 THR A 34 -5.617 -17.052 -3.855 1.00 0.00 H new ATOM 0 HG21 THR A 34 -3.901 -17.862 -5.170 1.00 0.00 H new ATOM 0 HG22 THR A 34 -2.528 -16.778 -5.498 1.00 0.00 H new ATOM 0 HG23 THR A 34 -2.742 -17.477 -3.875 1.00 0.00 H new ATOM 529 N THR A 35 -1.079 -14.641 -4.817 1.00 0.00 N ATOM 530 CA THR A 35 -0.054 -14.316 -5.813 1.00 0.00 C ATOM 531 C THR A 35 0.714 -15.572 -6.227 1.00 0.00 C ATOM 532 O THR A 35 0.737 -16.563 -5.500 1.00 0.00 O ATOM 533 CB THR A 35 0.909 -13.252 -5.283 1.00 0.00 C ATOM 534 OG1 THR A 35 1.707 -12.821 -6.367 1.00 0.00 O ATOM 535 CG2 THR A 35 1.695 -13.744 -4.048 1.00 0.00 C ATOM 0 H THR A 35 -0.725 -15.242 -4.073 1.00 0.00 H new ATOM 0 HA THR A 35 -0.557 -13.912 -6.692 1.00 0.00 H new ATOM 0 HB THR A 35 0.367 -12.387 -4.900 1.00 0.00 H new ATOM 0 HG1 THR A 35 1.166 -12.275 -6.975 1.00 0.00 H new ATOM 0 HG21 THR A 35 2.366 -12.956 -3.706 1.00 0.00 H new ATOM 0 HG22 THR A 35 0.997 -13.998 -3.250 1.00 0.00 H new ATOM 0 HG23 THR A 35 2.277 -14.626 -4.315 1.00 0.00 H new ATOM 543 N GLY A 36 1.331 -15.510 -7.405 1.00 0.00 N ATOM 544 CA GLY A 36 2.210 -16.546 -7.957 1.00 0.00 C ATOM 545 C GLY A 36 2.389 -16.453 -9.478 1.00 0.00 C ATOM 546 O GLY A 36 2.336 -17.466 -10.163 1.00 0.00 O ATOM 0 H GLY A 36 1.231 -14.708 -8.027 1.00 0.00 H new ATOM 0 HA2 GLY A 36 3.187 -16.474 -7.479 1.00 0.00 H new ATOM 0 HA3 GLY A 36 1.804 -17.526 -7.707 1.00 0.00 H new ATOM 550 N LYS A 37 2.508 -15.227 -10.008 1.00 0.00 N ATOM 551 CA LYS A 37 2.600 -14.903 -11.446 1.00 0.00 C ATOM 552 C LYS A 37 3.815 -13.998 -11.729 1.00 0.00 C ATOM 553 O LYS A 37 4.711 -14.371 -12.473 1.00 0.00 O ATOM 554 CB LYS A 37 1.245 -14.387 -12.001 1.00 0.00 C ATOM 555 CG LYS A 37 0.543 -13.277 -11.195 1.00 0.00 C ATOM 556 CD LYS A 37 -0.376 -13.783 -10.070 1.00 0.00 C ATOM 557 CE LYS A 37 -1.785 -14.119 -10.565 1.00 0.00 C ATOM 558 NZ LYS A 37 -2.739 -14.157 -9.424 1.00 0.00 N ATOM 0 H LYS A 37 2.545 -14.393 -9.422 1.00 0.00 H new ATOM 0 HA LYS A 37 2.791 -15.816 -12.010 1.00 0.00 H new ATOM 0 HB2 LYS A 37 1.410 -14.019 -13.014 1.00 0.00 H new ATOM 0 HB3 LYS A 37 0.564 -15.235 -12.077 1.00 0.00 H new ATOM 0 HG2 LYS A 37 1.302 -12.627 -10.761 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -0.046 -12.667 -11.880 1.00 0.00 H new ATOM 0 HD2 LYS A 37 0.066 -14.670 -9.616 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -0.441 -13.024 -9.290 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -2.109 -13.376 -11.293 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -1.778 -15.083 -11.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -3.691 -14.386 -9.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -2.437 -14.883 -8.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -2.757 -13.229 -8.955 1.00 0.00 H new ATOM 572 N SER A 38 3.910 -12.895 -10.983 1.00 0.00 N ATOM 573 CA SER A 38 4.945 -11.861 -11.119 1.00 0.00 C ATOM 574 C SER A 38 5.627 -11.526 -9.788 1.00 0.00 C ATOM 575 O SER A 38 6.852 -11.468 -9.697 1.00 0.00 O ATOM 576 CB SER A 38 4.279 -10.608 -11.688 1.00 0.00 C ATOM 577 OG SER A 38 3.340 -10.119 -10.736 1.00 0.00 O ATOM 0 H SER A 38 3.244 -12.687 -10.239 1.00 0.00 H new ATOM 0 HA SER A 38 5.726 -12.237 -11.780 1.00 0.00 H new ATOM 0 HB2 SER A 38 5.029 -9.847 -11.905 1.00 0.00 H new ATOM 0 HB3 SER A 38 3.778 -10.840 -12.628 1.00 0.00 H new ATOM 0 HG SER A 38 2.465 -10.014 -11.164 1.00 0.00 H new ATOM 583 N GLY A 39 4.822 -11.293 -8.750 1.00 0.00 N ATOM 584 CA GLY A 39 5.242 -10.905 -7.413 1.00 0.00 C ATOM 585 C GLY A 39 4.133 -10.253 -6.594 1.00 0.00 C ATOM 586 O GLY A 39 4.171 -10.360 -5.373 1.00 0.00 O ATOM 0 H GLY A 39 3.808 -11.376 -8.829 1.00 0.00 H new ATOM 0 HA2 GLY A 39 5.604 -11.787 -6.884 1.00 0.00 H new ATOM 0 HA3 GLY A 39 6.081 -10.213 -7.490 1.00 0.00 H new ATOM 590 N ASP A 40 3.171 -9.565 -7.216 1.00 0.00 N ATOM 591 CA ASP A 40 2.034 -8.987 -6.492 1.00 0.00 C ATOM 592 C ASP A 40 0.737 -9.809 -6.627 1.00 0.00 C ATOM 593 O ASP A 40 0.612 -10.664 -7.516 1.00 0.00 O ATOM 594 CB ASP A 40 1.868 -7.486 -6.770 1.00 0.00 C ATOM 595 CG ASP A 40 2.127 -7.061 -8.197 1.00 0.00 C ATOM 596 OD1 ASP A 40 1.241 -7.304 -9.038 1.00 0.00 O ATOM 597 OD2 ASP A 40 3.215 -6.465 -8.380 1.00 0.00 O ATOM 0 H ASP A 40 3.157 -9.394 -8.222 1.00 0.00 H new ATOM 0 HA ASP A 40 2.276 -9.057 -5.432 1.00 0.00 H new ATOM 0 HB2 ASP A 40 0.853 -7.193 -6.500 1.00 0.00 H new ATOM 0 HB3 ASP A 40 2.544 -6.935 -6.116 1.00 0.00 H new ATOM 602 N PRO A 41 -0.214 -9.633 -5.685 1.00 0.00 N ATOM 603 CA PRO A 41 -0.051 -8.974 -4.373 1.00 0.00 C ATOM 604 C PRO A 41 0.981 -9.669 -3.484 1.00 0.00 C ATOM 605 O PRO A 41 1.489 -10.710 -3.856 1.00 0.00 O ATOM 606 CB PRO A 41 -1.439 -9.030 -3.749 1.00 0.00 C ATOM 607 CG PRO A 41 -2.049 -10.303 -4.336 1.00 0.00 C ATOM 608 CD PRO A 41 -1.486 -10.331 -5.746 1.00 0.00 C ATOM 0 HA PRO A 41 0.325 -7.957 -4.485 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -1.387 -9.075 -2.661 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -2.028 -8.149 -4.004 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -1.761 -11.188 -3.768 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -3.138 -10.266 -4.337 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -1.352 -11.356 -6.092 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -2.165 -9.844 -6.446 1.00 0.00 H new ATOM 616 N HIS A 42 1.329 -9.118 -2.323 1.00 0.00 N ATOM 617 CA HIS A 42 2.333 -9.720 -1.426 1.00 0.00 C ATOM 618 C HIS A 42 1.688 -9.991 -0.074 1.00 0.00 C ATOM 619 O HIS A 42 0.847 -9.209 0.363 1.00 0.00 O ATOM 620 CB HIS A 42 3.614 -8.864 -1.311 1.00 0.00 C ATOM 621 CG HIS A 42 3.882 -7.942 -2.476 1.00 0.00 C ATOM 622 ND1 HIS A 42 3.226 -6.755 -2.733 1.00 0.00 N ATOM 623 CD2 HIS A 42 4.693 -8.212 -3.537 1.00 0.00 C ATOM 624 CE1 HIS A 42 3.636 -6.307 -3.933 1.00 0.00 C ATOM 625 NE2 HIS A 42 4.515 -7.189 -4.449 1.00 0.00 N ATOM 0 H HIS A 42 0.930 -8.247 -1.972 1.00 0.00 H new ATOM 0 HA HIS A 42 2.665 -10.666 -1.853 1.00 0.00 H new ATOM 0 HB2 HIS A 42 3.550 -8.265 -0.402 1.00 0.00 H new ATOM 0 HB3 HIS A 42 4.468 -9.532 -1.194 1.00 0.00 H new ATOM 0 HD1 HIS A 42 2.550 -6.298 -2.121 1.00 0.00 H new ATOM 0 HD2 HIS A 42 5.349 -9.063 -3.645 1.00 0.00 H new ATOM 0 HE1 HIS A 42 3.314 -5.391 -4.406 1.00 0.00 H new ATOM 634 N ARG A 43 2.038 -11.102 0.573 1.00 0.00 N ATOM 635 CA ARG A 43 1.598 -11.391 1.939 1.00 0.00 C ATOM 636 C ARG A 43 2.308 -10.447 2.893 1.00 0.00 C ATOM 637 O ARG A 43 3.531 -10.370 2.857 1.00 0.00 O ATOM 638 CB ARG A 43 1.921 -12.838 2.309 1.00 0.00 C ATOM 639 CG ARG A 43 0.866 -13.809 1.779 1.00 0.00 C ATOM 640 CD ARG A 43 -0.384 -13.787 2.668 1.00 0.00 C ATOM 641 NE ARG A 43 -0.166 -14.509 3.925 1.00 0.00 N ATOM 642 CZ ARG A 43 -0.349 -15.807 4.115 1.00 0.00 C ATOM 643 NH1 ARG A 43 -0.725 -16.592 3.145 1.00 0.00 N ATOM 644 NH2 ARG A 43 -0.187 -16.345 5.291 1.00 0.00 N ATOM 0 H ARG A 43 2.632 -11.825 0.168 1.00 0.00 H new ATOM 0 HA ARG A 43 0.519 -11.250 2.008 1.00 0.00 H new ATOM 0 HB2 ARG A 43 2.897 -13.107 1.906 1.00 0.00 H new ATOM 0 HB3 ARG A 43 1.987 -12.930 3.393 1.00 0.00 H new ATOM 0 HG2 ARG A 43 0.597 -13.540 0.758 1.00 0.00 H new ATOM 0 HG3 ARG A 43 1.277 -14.818 1.745 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -0.659 -12.755 2.884 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -1.221 -14.234 2.131 1.00 0.00 H new ATOM 0 HE ARG A 43 0.155 -13.963 4.725 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -0.885 -16.210 2.213 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -0.859 -17.588 3.318 1.00 0.00 H new ATOM 0 HH21 ARG A 43 0.085 -15.764 6.084 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -0.332 -17.347 5.418 1.00 0.00 H new ATOM 658 N TYR A 44 1.526 -9.764 3.714 1.00 0.00 N ATOM 659 CA TYR A 44 2.018 -8.927 4.799 1.00 0.00 C ATOM 660 C TYR A 44 1.862 -9.723 6.095 1.00 0.00 C ATOM 661 O TYR A 44 0.856 -10.415 6.291 1.00 0.00 O ATOM 662 CB TYR A 44 1.217 -7.616 4.809 1.00 0.00 C ATOM 663 CG TYR A 44 1.514 -6.628 5.921 1.00 0.00 C ATOM 664 CD1 TYR A 44 1.245 -6.953 7.263 1.00 0.00 C ATOM 665 CD2 TYR A 44 2.047 -5.366 5.612 1.00 0.00 C ATOM 666 CE1 TYR A 44 1.542 -6.065 8.300 1.00 0.00 C ATOM 667 CE2 TYR A 44 2.361 -4.469 6.649 1.00 0.00 C ATOM 668 CZ TYR A 44 2.134 -4.836 7.997 1.00 0.00 C ATOM 669 OH TYR A 44 2.604 -4.108 9.036 1.00 0.00 O ATOM 0 H TYR A 44 0.508 -9.776 3.644 1.00 0.00 H new ATOM 0 HA TYR A 44 3.069 -8.662 4.680 1.00 0.00 H new ATOM 0 HB2 TYR A 44 1.383 -7.112 3.857 1.00 0.00 H new ATOM 0 HB3 TYR A 44 0.158 -7.868 4.856 1.00 0.00 H new ATOM 0 HD1 TYR A 44 0.800 -7.909 7.497 1.00 0.00 H new ATOM 0 HD2 TYR A 44 2.215 -5.085 4.583 1.00 0.00 H new ATOM 0 HE1 TYR A 44 1.317 -6.325 9.324 1.00 0.00 H new ATOM 0 HE2 TYR A 44 2.776 -3.499 6.416 1.00 0.00 H new ATOM 0 HH TYR A 44 3.394 -4.548 9.413 1.00 0.00 H new ATOM 679 N PHE A 45 2.829 -9.568 6.993 1.00 0.00 N ATOM 680 CA PHE A 45 2.857 -10.125 8.342 1.00 0.00 C ATOM 681 C PHE A 45 3.214 -9.014 9.345 1.00 0.00 C ATOM 682 O PHE A 45 4.100 -8.198 9.080 1.00 0.00 O ATOM 683 CB PHE A 45 3.883 -11.265 8.350 1.00 0.00 C ATOM 684 CG PHE A 45 3.719 -12.249 7.210 1.00 0.00 C ATOM 685 CD1 PHE A 45 2.558 -13.033 7.113 1.00 0.00 C ATOM 686 CD2 PHE A 45 4.705 -12.334 6.212 1.00 0.00 C ATOM 687 CE1 PHE A 45 2.409 -13.932 6.045 1.00 0.00 C ATOM 688 CE2 PHE A 45 4.552 -13.229 5.142 1.00 0.00 C ATOM 689 CZ PHE A 45 3.416 -14.053 5.072 1.00 0.00 C ATOM 0 H PHE A 45 3.663 -9.018 6.787 1.00 0.00 H new ATOM 0 HA PHE A 45 1.885 -10.522 8.636 1.00 0.00 H new ATOM 0 HB2 PHE A 45 4.885 -10.838 8.307 1.00 0.00 H new ATOM 0 HB3 PHE A 45 3.806 -11.803 9.295 1.00 0.00 H new ATOM 0 HD1 PHE A 45 1.781 -12.945 7.858 1.00 0.00 H new ATOM 0 HD2 PHE A 45 5.583 -11.708 6.269 1.00 0.00 H new ATOM 0 HE1 PHE A 45 1.515 -14.534 5.971 1.00 0.00 H new ATOM 0 HE2 PHE A 45 5.307 -13.284 4.372 1.00 0.00 H new ATOM 0 HZ PHE A 45 3.317 -14.775 4.275 1.00 0.00 H new ATOM 699 N ALA A 46 2.515 -8.946 10.479 1.00 0.00 N ATOM 700 CA ALA A 46 2.781 -7.992 11.563 1.00 0.00 C ATOM 701 C ALA A 46 4.269 -7.967 11.987 1.00 0.00 C ATOM 702 O ALA A 46 4.757 -8.836 12.707 1.00 0.00 O ATOM 703 CB ALA A 46 1.825 -8.254 12.741 1.00 0.00 C ATOM 0 H ALA A 46 1.729 -9.566 10.676 1.00 0.00 H new ATOM 0 HA ALA A 46 2.582 -6.988 11.187 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.029 -7.542 13.541 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.794 -8.138 12.406 1.00 0.00 H new ATOM 0 HB3 ALA A 46 1.974 -9.268 13.112 1.00 0.00 H new ATOM 709 N GLY A 47 5.001 -6.938 11.547 1.00 0.00 N ATOM 710 CA GLY A 47 6.453 -6.832 11.717 1.00 0.00 C ATOM 711 C GLY A 47 7.006 -5.437 11.407 1.00 0.00 C ATOM 712 O GLY A 47 7.820 -4.914 12.171 1.00 0.00 O ATOM 0 H GLY A 47 4.594 -6.143 11.055 1.00 0.00 H new ATOM 0 HA2 GLY A 47 6.711 -7.096 12.743 1.00 0.00 H new ATOM 0 HA3 GLY A 47 6.941 -7.560 11.068 1.00 0.00 H new ATOM 716 N ASP A 48 6.466 -4.754 10.391 1.00 0.00 N ATOM 717 CA ASP A 48 6.783 -3.356 10.030 1.00 0.00 C ATOM 718 C ASP A 48 6.340 -2.313 11.078 1.00 0.00 C ATOM 719 O ASP A 48 6.503 -1.115 10.872 1.00 0.00 O ATOM 720 CB ASP A 48 6.155 -3.012 8.670 1.00 0.00 C ATOM 721 CG ASP A 48 6.780 -3.799 7.525 1.00 0.00 C ATOM 722 OD1 ASP A 48 6.503 -5.015 7.505 1.00 0.00 O ATOM 723 OD2 ASP A 48 7.504 -3.169 6.722 1.00 0.00 O ATOM 0 H ASP A 48 5.770 -5.169 9.771 1.00 0.00 H new ATOM 0 HA ASP A 48 7.871 -3.301 9.984 1.00 0.00 H new ATOM 0 HB2 ASP A 48 5.085 -3.216 8.705 1.00 0.00 H new ATOM 0 HB3 ASP A 48 6.270 -1.945 8.479 1.00 0.00 H new ATOM 728 N HIS A 49 5.809 -2.748 12.231 1.00 0.00 N ATOM 729 CA HIS A 49 5.377 -1.911 13.370 1.00 0.00 C ATOM 730 C HIS A 49 4.073 -1.155 13.079 1.00 0.00 C ATOM 731 O HIS A 49 3.914 0.003 13.464 1.00 0.00 O ATOM 732 CB HIS A 49 6.511 -0.973 13.846 1.00 0.00 C ATOM 733 CG HIS A 49 7.830 -1.671 14.052 1.00 0.00 C ATOM 734 ND1 HIS A 49 8.225 -2.339 15.193 1.00 0.00 N ATOM 735 CD2 HIS A 49 8.817 -1.795 13.116 1.00 0.00 C ATOM 736 CE1 HIS A 49 9.443 -2.864 14.955 1.00 0.00 C ATOM 737 NE2 HIS A 49 9.818 -2.552 13.694 1.00 0.00 N ATOM 0 H HIS A 49 5.660 -3.742 12.407 1.00 0.00 H new ATOM 0 HA HIS A 49 5.154 -2.586 14.197 1.00 0.00 H new ATOM 0 HB2 HIS A 49 6.642 -0.176 13.114 1.00 0.00 H new ATOM 0 HB3 HIS A 49 6.211 -0.500 14.781 1.00 0.00 H new ATOM 0 HD2 HIS A 49 8.815 -1.382 12.118 1.00 0.00 H new ATOM 0 HE1 HIS A 49 10.026 -3.441 15.658 1.00 0.00 H new ATOM 0 HE2 HIS A 49 10.691 -2.828 13.246 1.00 0.00 H new ATOM 746 N ILE A 50 3.106 -1.831 12.455 1.00 0.00 N ATOM 747 CA ILE A 50 1.877 -1.217 11.946 1.00 0.00 C ATOM 748 C ILE A 50 0.653 -1.935 12.504 1.00 0.00 C ATOM 749 O ILE A 50 0.433 -3.112 12.246 1.00 0.00 O ATOM 750 CB ILE A 50 1.797 -1.167 10.403 1.00 0.00 C ATOM 751 CG1 ILE A 50 3.166 -1.095 9.701 1.00 0.00 C ATOM 752 CG2 ILE A 50 0.951 0.062 10.028 1.00 0.00 C ATOM 753 CD1 ILE A 50 3.108 -1.146 8.172 1.00 0.00 C ATOM 0 H ILE A 50 3.155 -2.836 12.286 1.00 0.00 H new ATOM 0 HA ILE A 50 1.896 -0.183 12.289 1.00 0.00 H new ATOM 0 HB ILE A 50 1.349 -2.100 10.061 1.00 0.00 H new ATOM 0 HG12 ILE A 50 3.664 -0.173 10.001 1.00 0.00 H new ATOM 0 HG13 ILE A 50 3.784 -1.921 10.055 1.00 0.00 H new ATOM 0 HG21 ILE A 50 0.871 0.132 8.943 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -0.045 -0.037 10.459 1.00 0.00 H new ATOM 0 HG23 ILE A 50 1.427 0.963 10.415 1.00 0.00 H new ATOM 0 HD11 ILE A 50 4.119 -1.089 7.767 1.00 0.00 H new ATOM 0 HD12 ILE A 50 2.643 -2.080 7.856 1.00 0.00 H new ATOM 0 HD13 ILE A 50 2.521 -0.305 7.802 1.00 0.00 H new ATOM 765 N ARG A 51 -0.143 -1.186 13.267 1.00 0.00 N ATOM 766 CA ARG A 51 -1.384 -1.640 13.920 1.00 0.00 C ATOM 767 C ARG A 51 -2.677 -1.233 13.225 1.00 0.00 C ATOM 768 O ARG A 51 -3.740 -1.779 13.490 1.00 0.00 O ATOM 769 CB ARG A 51 -1.441 -1.098 15.346 1.00 0.00 C ATOM 770 CG ARG A 51 -1.279 0.410 15.495 1.00 0.00 C ATOM 771 CD ARG A 51 -2.000 0.829 16.774 1.00 0.00 C ATOM 772 NE ARG A 51 -1.483 2.120 17.243 1.00 0.00 N ATOM 773 CZ ARG A 51 -0.508 2.269 18.119 1.00 0.00 C ATOM 774 NH1 ARG A 51 0.051 1.258 18.728 1.00 0.00 N ATOM 775 NH2 ARG A 51 -0.063 3.463 18.398 1.00 0.00 N ATOM 0 H ARG A 51 0.062 -0.205 13.459 1.00 0.00 H new ATOM 0 HA ARG A 51 -1.332 -2.728 13.879 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -2.396 -1.386 15.785 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -0.662 -1.587 15.931 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -0.224 0.678 15.545 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -1.699 0.927 14.632 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -3.072 0.903 16.589 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -1.861 0.071 17.545 1.00 0.00 H new ATOM 0 HE ARG A 51 -1.909 2.965 16.863 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -0.264 0.308 18.533 1.00 0.00 H new ATOM 0 HH12 ARG A 51 0.802 1.419 19.399 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -0.469 4.279 17.939 1.00 0.00 H new ATOM 0 HH22 ARG A 51 0.691 3.581 19.075 1.00 0.00 H new ATOM 789 N TRP A 52 -2.595 -0.183 12.408 1.00 0.00 N ATOM 790 CA TRP A 52 -3.709 0.386 11.643 1.00 0.00 C ATOM 791 C TRP A 52 -4.850 0.967 12.496 1.00 0.00 C ATOM 792 O TRP A 52 -5.909 1.291 11.982 1.00 0.00 O ATOM 793 CB TRP A 52 -4.184 -0.674 10.651 1.00 0.00 C ATOM 794 CG TRP A 52 -3.086 -1.156 9.758 1.00 0.00 C ATOM 795 CD1 TRP A 52 -2.164 -2.129 9.969 1.00 0.00 C ATOM 796 CD2 TRP A 52 -2.754 -0.558 8.492 1.00 0.00 C ATOM 797 NE1 TRP A 52 -1.293 -2.167 8.894 1.00 0.00 N ATOM 798 CE2 TRP A 52 -1.621 -1.224 7.951 1.00 0.00 C ATOM 799 CE3 TRP A 52 -3.290 0.534 7.793 1.00 0.00 C ATOM 800 CZ2 TRP A 52 -1.057 -0.844 6.734 1.00 0.00 C ATOM 801 CZ3 TRP A 52 -2.730 0.927 6.581 1.00 0.00 C ATOM 802 CH2 TRP A 52 -1.659 0.204 6.031 1.00 0.00 C ATOM 0 H TRP A 52 -1.718 0.315 12.254 1.00 0.00 H new ATOM 0 HA TRP A 52 -3.344 1.264 11.111 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -4.600 -1.520 11.199 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -4.989 -0.262 10.042 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -2.117 -2.771 10.836 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -0.508 -2.813 8.813 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -4.137 1.070 8.195 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -0.182 -1.344 6.346 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -3.120 1.790 6.062 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -1.294 0.462 5.048 1.00 0.00 H new ATOM 813 N GLY A 53 -4.624 1.112 13.807 1.00 0.00 N ATOM 814 CA GLY A 53 -5.662 1.422 14.792 1.00 0.00 C ATOM 815 C GLY A 53 -6.788 0.380 14.874 1.00 0.00 C ATOM 816 O GLY A 53 -7.878 0.718 15.326 1.00 0.00 O ATOM 0 H GLY A 53 -3.696 1.015 14.219 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -5.198 1.516 15.774 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -6.097 2.392 14.551 1.00 0.00 H new ATOM 820 N VAL A 54 -6.544 -0.876 14.473 1.00 0.00 N ATOM 821 CA VAL A 54 -7.565 -1.939 14.421 1.00 0.00 C ATOM 822 C VAL A 54 -7.031 -3.209 15.076 1.00 0.00 C ATOM 823 O VAL A 54 -5.987 -3.710 14.674 1.00 0.00 O ATOM 824 CB VAL A 54 -7.932 -2.253 12.955 1.00 0.00 C ATOM 825 CG1 VAL A 54 -8.857 -3.475 12.770 1.00 0.00 C ATOM 826 CG2 VAL A 54 -8.607 -1.090 12.238 1.00 0.00 C ATOM 0 H VAL A 54 -5.621 -1.189 14.171 1.00 0.00 H new ATOM 0 HA VAL A 54 -8.450 -1.592 14.955 1.00 0.00 H new ATOM 0 HB VAL A 54 -6.956 -2.465 12.519 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -9.061 -3.620 11.709 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -8.370 -4.364 13.170 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -9.794 -3.305 13.300 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -8.837 -1.379 11.213 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -9.529 -0.828 12.757 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -7.938 -0.230 12.231 1.00 0.00 H new ATOM 836 N ASN A 55 -7.798 -3.815 15.987 1.00 0.00 N ATOM 837 CA ASN A 55 -7.475 -5.110 16.601 1.00 0.00 C ATOM 838 C ASN A 55 -7.203 -6.230 15.570 1.00 0.00 C ATOM 839 O ASN A 55 -6.364 -7.092 15.786 1.00 0.00 O ATOM 840 CB ASN A 55 -8.645 -5.480 17.534 1.00 0.00 C ATOM 841 CG ASN A 55 -8.657 -6.952 17.916 1.00 0.00 C ATOM 842 OD1 ASN A 55 -8.192 -7.391 18.943 1.00 0.00 O ATOM 843 ND2 ASN A 55 -9.228 -7.816 17.108 1.00 0.00 N ATOM 0 H ASN A 55 -8.674 -3.416 16.325 1.00 0.00 H new ATOM 0 HA ASN A 55 -6.543 -5.014 17.158 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -8.586 -4.876 18.439 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -9.586 -5.230 17.045 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -9.263 -8.804 17.360 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -9.636 -7.499 16.229 1.00 0.00 H new ATOM 850 N ASN A 56 -7.987 -6.298 14.482 1.00 0.00 N ATOM 851 CA ASN A 56 -7.793 -7.315 13.436 1.00 0.00 C ATOM 852 C ASN A 56 -6.426 -7.164 12.755 1.00 0.00 C ATOM 853 O ASN A 56 -5.744 -8.158 12.533 1.00 0.00 O ATOM 854 CB ASN A 56 -8.968 -7.280 12.435 1.00 0.00 C ATOM 855 CG ASN A 56 -8.980 -8.413 11.411 1.00 0.00 C ATOM 856 OD1 ASN A 56 -8.014 -9.067 11.088 1.00 0.00 O ATOM 857 ND2 ASN A 56 -10.109 -8.707 10.823 1.00 0.00 N ATOM 0 H ASN A 56 -8.762 -5.660 14.304 1.00 0.00 H new ATOM 0 HA ASN A 56 -7.790 -8.302 13.899 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -9.903 -7.307 12.995 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -8.943 -6.330 11.902 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -10.144 -9.455 10.131 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -10.956 -8.188 11.056 1.00 0.00 H new ATOM 864 N CYS A 57 -6.040 -5.933 12.429 1.00 0.00 N ATOM 865 CA CYS A 57 -4.766 -5.671 11.783 1.00 0.00 C ATOM 866 C CYS A 57 -3.589 -5.824 12.764 1.00 0.00 C ATOM 867 O CYS A 57 -2.629 -6.512 12.438 1.00 0.00 O ATOM 868 CB CYS A 57 -4.857 -4.296 11.136 1.00 0.00 C ATOM 869 SG CYS A 57 -6.391 -4.087 10.199 1.00 0.00 S ATOM 0 H CYS A 57 -6.599 -5.098 12.605 1.00 0.00 H new ATOM 0 HA CYS A 57 -4.562 -6.408 11.006 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -4.796 -3.528 11.907 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -4.004 -4.150 10.473 1.00 0.00 H new ATOM 874 N ASP A 58 -3.705 -5.277 13.981 1.00 0.00 N ATOM 875 CA ASP A 58 -2.742 -5.401 15.097 1.00 0.00 C ATOM 876 C ASP A 58 -2.849 -6.731 15.868 1.00 0.00 C ATOM 877 O ASP A 58 -2.677 -6.801 17.086 1.00 0.00 O ATOM 878 CB ASP A 58 -2.936 -4.215 16.057 1.00 0.00 C ATOM 879 CG ASP A 58 -1.662 -3.793 16.804 1.00 0.00 C ATOM 880 OD1 ASP A 58 -0.551 -4.036 16.281 1.00 0.00 O ATOM 881 OD2 ASP A 58 -1.801 -2.992 17.760 1.00 0.00 O ATOM 0 H ASP A 58 -4.512 -4.706 14.233 1.00 0.00 H new ATOM 0 HA ASP A 58 -1.743 -5.391 14.660 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -3.311 -3.362 15.491 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -3.702 -4.475 16.787 1.00 0.00 H new ATOM 886 N LYS A 59 -3.219 -7.801 15.161 1.00 0.00 N ATOM 887 CA LYS A 59 -3.197 -9.163 15.685 1.00 0.00 C ATOM 888 C LYS A 59 -1.767 -9.681 15.875 1.00 0.00 C ATOM 889 O LYS A 59 -0.777 -9.066 15.495 1.00 0.00 O ATOM 890 CB LYS A 59 -4.019 -10.064 14.761 1.00 0.00 C ATOM 891 CG LYS A 59 -5.498 -10.140 15.155 1.00 0.00 C ATOM 892 CD LYS A 59 -6.134 -11.455 14.682 1.00 0.00 C ATOM 893 CE LYS A 59 -7.658 -11.359 14.696 1.00 0.00 C ATOM 894 NZ LYS A 59 -8.174 -11.261 16.082 1.00 0.00 N ATOM 0 H LYS A 59 -3.546 -7.742 14.197 1.00 0.00 H new ATOM 0 HA LYS A 59 -3.647 -9.171 16.678 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -3.940 -9.694 13.739 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -3.595 -11.068 14.771 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -5.593 -10.056 16.238 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -6.036 -9.297 14.722 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -5.790 -11.689 13.675 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -5.811 -12.272 15.327 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -7.976 -10.487 14.124 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -8.085 -12.234 14.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -9.212 -11.197 16.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -7.889 -12.105 16.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -7.783 -10.412 16.539 1.00 0.00 H new ATOM 908 N ALA A 60 -1.676 -10.887 16.425 1.00 0.00 N ATOM 909 CA ALA A 60 -0.451 -11.611 16.654 1.00 0.00 C ATOM 910 C ALA A 60 -0.073 -12.278 15.334 1.00 0.00 C ATOM 911 O ALA A 60 -0.457 -13.418 15.095 1.00 0.00 O ATOM 912 CB ALA A 60 -0.733 -12.637 17.750 1.00 0.00 C ATOM 0 H ALA A 60 -2.500 -11.403 16.735 1.00 0.00 H new ATOM 0 HA ALA A 60 0.374 -10.975 16.975 1.00 0.00 H new ATOM 0 HB1 ALA A 60 0.172 -13.209 17.955 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.050 -12.123 18.657 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.523 -13.313 17.421 1.00 0.00 H new ATOM 918 N ASP A 61 0.558 -11.524 14.441 1.00 0.00 N ATOM 919 CA ASP A 61 1.019 -12.066 13.151 1.00 0.00 C ATOM 920 C ASP A 61 -0.139 -12.622 12.294 1.00 0.00 C ATOM 921 O ASP A 61 -0.109 -13.715 11.727 1.00 0.00 O ATOM 922 CB ASP A 61 2.145 -13.080 13.419 1.00 0.00 C ATOM 923 CG ASP A 61 2.837 -13.538 12.133 1.00 0.00 C ATOM 924 OD1 ASP A 61 2.854 -12.716 11.190 1.00 0.00 O ATOM 925 OD2 ASP A 61 3.392 -14.662 12.119 1.00 0.00 O ATOM 0 H ASP A 61 0.766 -10.535 14.579 1.00 0.00 H new ATOM 0 HA ASP A 61 1.428 -11.262 12.540 1.00 0.00 H new ATOM 0 HB2 ASP A 61 2.882 -12.632 14.085 1.00 0.00 H new ATOM 0 HB3 ASP A 61 1.734 -13.947 13.936 1.00 0.00 H new ATOM 930 N ALA A 62 -1.243 -11.867 12.242 1.00 0.00 N ATOM 931 CA ALA A 62 -2.336 -12.175 11.322 1.00 0.00 C ATOM 932 C ALA A 62 -1.935 -12.148 9.840 1.00 0.00 C ATOM 933 O ALA A 62 -0.904 -11.625 9.418 1.00 0.00 O ATOM 934 CB ALA A 62 -3.524 -11.245 11.559 1.00 0.00 C ATOM 0 H ALA A 62 -1.399 -11.044 12.824 1.00 0.00 H new ATOM 0 HA ALA A 62 -2.620 -13.204 11.544 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -4.325 -11.493 10.863 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -3.882 -11.365 12.582 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -3.214 -10.212 11.402 1.00 0.00 H new ATOM 940 N ILE A 63 -2.847 -12.681 9.030 1.00 0.00 N ATOM 941 CA ILE A 63 -2.652 -12.875 7.608 1.00 0.00 C ATOM 942 C ILE A 63 -3.104 -11.598 6.913 1.00 0.00 C ATOM 943 O ILE A 63 -4.282 -11.446 6.569 1.00 0.00 O ATOM 944 CB ILE A 63 -3.417 -14.119 7.121 1.00 0.00 C ATOM 945 CG1 ILE A 63 -3.054 -15.392 7.917 1.00 0.00 C ATOM 946 CG2 ILE A 63 -3.086 -14.328 5.639 1.00 0.00 C ATOM 947 CD1 ILE A 63 -4.066 -16.526 7.712 1.00 0.00 C ATOM 0 H ILE A 63 -3.760 -12.995 9.358 1.00 0.00 H new ATOM 0 HA ILE A 63 -1.604 -13.061 7.372 1.00 0.00 H new ATOM 0 HB ILE A 63 -4.483 -13.948 7.273 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -2.064 -15.735 7.615 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -2.997 -15.148 8.978 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -3.616 -15.205 5.268 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.394 -13.450 5.070 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -2.012 -14.477 5.523 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.761 -17.395 8.295 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -5.052 -16.197 8.040 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -4.105 -16.792 6.656 1.00 0.00 H new ATOM 959 N LEU A 64 -2.176 -10.667 6.750 1.00 0.00 N ATOM 960 CA LEU A 64 -2.388 -9.434 6.011 1.00 0.00 C ATOM 961 C LEU A 64 -1.805 -9.600 4.594 1.00 0.00 C ATOM 962 O LEU A 64 -1.285 -10.653 4.209 1.00 0.00 O ATOM 963 CB LEU A 64 -1.826 -8.261 6.849 1.00 0.00 C ATOM 964 CG LEU A 64 -2.732 -7.612 7.924 1.00 0.00 C ATOM 965 CD1 LEU A 64 -3.641 -6.506 7.370 1.00 0.00 C ATOM 966 CD2 LEU A 64 -3.571 -8.615 8.717 1.00 0.00 C ATOM 0 H LEU A 64 -1.236 -10.750 7.136 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.441 -9.199 5.856 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.923 -8.614 7.347 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.522 -7.476 6.156 1.00 0.00 H new ATOM 0 HG LEU A 64 -2.019 -7.157 8.612 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -4.248 -6.096 8.177 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.029 -5.714 6.938 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -4.293 -6.922 6.601 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -4.178 -8.083 9.450 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -4.222 -9.164 8.036 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -2.912 -9.314 9.231 1.00 0.00 H new ATOM 978 N TRP A 65 -1.962 -8.570 3.778 1.00 0.00 N ATOM 979 CA TRP A 65 -1.500 -8.466 2.399 1.00 0.00 C ATOM 980 C TRP A 65 -1.084 -7.037 2.079 1.00 0.00 C ATOM 981 O TRP A 65 -1.365 -6.129 2.850 1.00 0.00 O ATOM 982 CB TRP A 65 -2.635 -8.895 1.474 1.00 0.00 C ATOM 983 CG TRP A 65 -2.816 -10.367 1.348 1.00 0.00 C ATOM 984 CD1 TRP A 65 -3.521 -11.164 2.176 1.00 0.00 C ATOM 985 CD2 TRP A 65 -2.197 -11.244 0.377 1.00 0.00 C ATOM 986 NE1 TRP A 65 -3.388 -12.477 1.769 1.00 0.00 N ATOM 987 CE2 TRP A 65 -2.562 -12.583 0.670 1.00 0.00 C ATOM 988 CE3 TRP A 65 -1.314 -11.033 -0.691 1.00 0.00 C ATOM 989 CZ2 TRP A 65 -2.048 -13.663 -0.063 1.00 0.00 C ATOM 990 CZ3 TRP A 65 -0.785 -12.105 -1.426 1.00 0.00 C ATOM 991 CH2 TRP A 65 -1.162 -13.420 -1.123 1.00 0.00 C ATOM 0 H TRP A 65 -2.448 -7.726 4.080 1.00 0.00 H new ATOM 0 HA TRP A 65 -0.633 -9.111 2.257 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -3.565 -8.459 1.837 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -2.454 -8.479 0.483 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -4.099 -10.828 3.024 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -3.843 -13.268 2.224 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -1.035 -10.023 -0.954 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -2.332 -14.674 0.187 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -0.086 -11.916 -2.227 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -0.772 -14.243 -1.703 1.00 0.00 H new ATOM 1002 N GLU A 66 -0.460 -6.824 0.926 1.00 0.00 N ATOM 1003 CA GLU A 66 0.005 -5.520 0.470 1.00 0.00 C ATOM 1004 C GLU A 66 0.059 -5.459 -1.065 1.00 0.00 C ATOM 1005 O GLU A 66 0.637 -6.334 -1.728 1.00 0.00 O ATOM 1006 CB GLU A 66 1.362 -5.176 1.100 1.00 0.00 C ATOM 1007 CG GLU A 66 2.431 -6.221 0.798 1.00 0.00 C ATOM 1008 CD GLU A 66 3.799 -5.753 1.277 1.00 0.00 C ATOM 1009 OE1 GLU A 66 4.446 -5.022 0.478 1.00 0.00 O ATOM 1010 OE2 GLU A 66 4.181 -6.119 2.399 1.00 0.00 O ATOM 0 H GLU A 66 -0.258 -7.574 0.265 1.00 0.00 H new ATOM 0 HA GLU A 66 -0.711 -4.767 0.799 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.694 -4.205 0.731 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.244 -5.084 2.180 1.00 0.00 H new ATOM 0 HG2 GLU A 66 2.173 -7.162 1.284 1.00 0.00 H new ATOM 0 HG3 GLU A 66 2.463 -6.415 -0.274 1.00 0.00 H new ATOM 1017 N TYR A 67 -0.510 -4.403 -1.650 1.00 0.00 N ATOM 1018 CA TYR A 67 -0.555 -4.232 -3.105 1.00 0.00 C ATOM 1019 C TYR A 67 -0.374 -2.761 -3.550 1.00 0.00 C ATOM 1020 O TYR A 67 -0.969 -1.868 -2.955 1.00 0.00 O ATOM 1021 CB TYR A 67 -1.858 -4.828 -3.637 1.00 0.00 C ATOM 1022 CG TYR A 67 -1.898 -4.831 -5.147 1.00 0.00 C ATOM 1023 CD1 TYR A 67 -2.351 -3.696 -5.817 1.00 0.00 C ATOM 1024 CD2 TYR A 67 -1.392 -5.898 -5.897 1.00 0.00 C ATOM 1025 CE1 TYR A 67 -2.411 -3.669 -7.225 1.00 0.00 C ATOM 1026 CE2 TYR A 67 -1.417 -5.873 -7.302 1.00 0.00 C ATOM 1027 CZ TYR A 67 -2.008 -4.793 -7.972 1.00 0.00 C ATOM 1028 OH TYR A 67 -2.193 -4.882 -9.314 1.00 0.00 O ATOM 0 H TYR A 67 -0.952 -3.644 -1.131 1.00 0.00 H new ATOM 0 HA TYR A 67 0.293 -4.766 -3.534 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -1.968 -5.848 -3.268 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -2.703 -4.257 -3.252 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -2.659 -2.829 -5.252 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -0.975 -6.755 -5.388 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -2.767 -2.784 -7.732 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -0.981 -6.685 -7.865 1.00 0.00 H new ATOM 0 HH TYR A 67 -1.544 -5.511 -9.693 1.00 0.00 H new ATOM 1038 N PRO A 68 0.494 -2.468 -4.539 1.00 0.00 N ATOM 1039 CA PRO A 68 0.804 -1.108 -5.009 1.00 0.00 C ATOM 1040 C PRO A 68 -0.388 -0.402 -5.650 1.00 0.00 C ATOM 1041 O PRO A 68 -1.280 -1.025 -6.202 1.00 0.00 O ATOM 1042 CB PRO A 68 1.952 -1.267 -6.009 1.00 0.00 C ATOM 1043 CG PRO A 68 1.769 -2.696 -6.501 1.00 0.00 C ATOM 1044 CD PRO A 68 1.247 -3.442 -5.298 1.00 0.00 C ATOM 0 HA PRO A 68 1.075 -0.475 -4.164 1.00 0.00 H new ATOM 0 HB2 PRO A 68 1.883 -0.546 -6.824 1.00 0.00 H new ATOM 0 HB3 PRO A 68 2.924 -1.122 -5.537 1.00 0.00 H new ATOM 0 HG2 PRO A 68 1.067 -2.743 -7.333 1.00 0.00 H new ATOM 0 HG3 PRO A 68 2.710 -3.119 -6.853 1.00 0.00 H new ATOM 0 HD2 PRO A 68 0.617 -4.279 -5.598 1.00 0.00 H new ATOM 0 HD3 PRO A 68 2.064 -3.855 -4.706 1.00 0.00 H new ATOM 1052 N ILE A 69 -0.375 0.927 -5.612 1.00 0.00 N ATOM 1053 CA ILE A 69 -1.464 1.749 -6.139 1.00 0.00 C ATOM 1054 C ILE A 69 -0.923 3.030 -6.780 1.00 0.00 C ATOM 1055 O ILE A 69 0.105 3.581 -6.369 1.00 0.00 O ATOM 1056 CB ILE A 69 -2.530 1.978 -5.033 1.00 0.00 C ATOM 1057 CG1 ILE A 69 -3.706 2.846 -5.516 1.00 0.00 C ATOM 1058 CG2 ILE A 69 -1.962 2.445 -3.681 1.00 0.00 C ATOM 1059 CD1 ILE A 69 -3.573 4.356 -5.289 1.00 0.00 C ATOM 0 H ILE A 69 0.393 1.468 -5.214 1.00 0.00 H new ATOM 0 HA ILE A 69 -1.974 1.226 -6.949 1.00 0.00 H new ATOM 0 HB ILE A 69 -2.932 0.985 -4.830 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -3.845 2.671 -6.583 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -4.612 2.503 -5.016 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -2.778 2.579 -2.970 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -1.268 1.696 -3.300 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -1.438 3.391 -3.814 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -4.461 4.861 -5.670 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -3.471 4.556 -4.222 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -2.692 4.727 -5.813 1.00 0.00 H new ATOM 1071 N TYR A 70 -1.618 3.516 -7.802 1.00 0.00 N ATOM 1072 CA TYR A 70 -1.344 4.777 -8.470 1.00 0.00 C ATOM 1073 C TYR A 70 -2.254 5.867 -7.897 1.00 0.00 C ATOM 1074 O TYR A 70 -3.444 5.915 -8.178 1.00 0.00 O ATOM 1075 CB TYR A 70 -1.486 4.600 -9.986 1.00 0.00 C ATOM 1076 CG TYR A 70 -0.358 3.775 -10.599 1.00 0.00 C ATOM 1077 CD1 TYR A 70 -0.322 2.390 -10.389 1.00 0.00 C ATOM 1078 CD2 TYR A 70 0.615 4.361 -11.442 1.00 0.00 C ATOM 1079 CE1 TYR A 70 0.721 1.629 -10.930 1.00 0.00 C ATOM 1080 CE2 TYR A 70 1.702 3.610 -11.928 1.00 0.00 C ATOM 1081 CZ TYR A 70 1.774 2.237 -11.628 1.00 0.00 C ATOM 1082 OH TYR A 70 2.851 1.494 -11.983 1.00 0.00 O ATOM 0 H TYR A 70 -2.417 3.022 -8.201 1.00 0.00 H new ATOM 0 HA TYR A 70 -0.317 5.095 -8.288 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -2.440 4.118 -10.202 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -1.510 5.581 -10.460 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -1.098 1.910 -9.811 1.00 0.00 H new ATOM 0 HD2 TYR A 70 0.523 5.401 -11.717 1.00 0.00 H new ATOM 0 HE1 TYR A 70 0.714 0.556 -10.808 1.00 0.00 H new ATOM 0 HE2 TYR A 70 2.470 4.081 -12.523 1.00 0.00 H new ATOM 0 HH TYR A 70 3.003 0.796 -11.312 1.00 0.00 H new ATOM 1092 N TRP A 71 -1.697 6.701 -7.018 1.00 0.00 N ATOM 1093 CA TRP A 71 -2.386 7.878 -6.469 1.00 0.00 C ATOM 1094 C TRP A 71 -2.884 8.830 -7.562 1.00 0.00 C ATOM 1095 O TRP A 71 -2.476 8.737 -8.711 1.00 0.00 O ATOM 1096 CB TRP A 71 -1.415 8.652 -5.576 1.00 0.00 C ATOM 1097 CG TRP A 71 -0.094 8.942 -6.215 1.00 0.00 C ATOM 1098 CD1 TRP A 71 0.233 9.951 -7.055 1.00 0.00 C ATOM 1099 CD2 TRP A 71 1.106 8.163 -6.061 1.00 0.00 C ATOM 1100 NE1 TRP A 71 1.568 9.854 -7.416 1.00 0.00 N ATOM 1101 CE2 TRP A 71 2.159 8.772 -6.799 1.00 0.00 C ATOM 1102 CE3 TRP A 71 1.382 6.983 -5.361 1.00 0.00 C ATOM 1103 CZ2 TRP A 71 3.435 8.198 -6.843 1.00 0.00 C ATOM 1104 CZ3 TRP A 71 2.686 6.499 -5.299 1.00 0.00 C ATOM 1105 CH2 TRP A 71 3.710 7.078 -6.061 1.00 0.00 C ATOM 0 H TRP A 71 -0.749 6.581 -6.662 1.00 0.00 H new ATOM 0 HA TRP A 71 -3.250 7.516 -5.911 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -1.879 9.594 -5.284 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -1.247 8.083 -4.662 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -0.446 10.719 -7.394 1.00 0.00 H new ATOM 0 HE1 TRP A 71 2.046 10.494 -8.050 1.00 0.00 H new ATOM 0 HE3 TRP A 71 0.583 6.448 -4.869 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 4.200 8.620 -7.478 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 2.912 5.664 -4.653 1.00 0.00 H new ATOM 0 HH2 TRP A 71 4.705 6.659 -6.042 1.00 0.00 H new ATOM 1116 N VAL A 72 -3.624 9.872 -7.168 1.00 0.00 N ATOM 1117 CA VAL A 72 -4.310 10.799 -8.094 1.00 0.00 C ATOM 1118 C VAL A 72 -3.392 11.397 -9.176 1.00 0.00 C ATOM 1119 O VAL A 72 -3.722 11.410 -10.352 1.00 0.00 O ATOM 1120 CB VAL A 72 -4.960 11.958 -7.315 1.00 0.00 C ATOM 1121 CG1 VAL A 72 -5.707 12.897 -8.270 1.00 0.00 C ATOM 1122 CG2 VAL A 72 -5.936 11.498 -6.222 1.00 0.00 C ATOM 0 H VAL A 72 -3.769 10.104 -6.185 1.00 0.00 H new ATOM 0 HA VAL A 72 -5.062 10.193 -8.600 1.00 0.00 H new ATOM 0 HB VAL A 72 -4.136 12.475 -6.824 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -6.160 13.709 -7.701 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -5.007 13.309 -8.997 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -6.486 12.341 -8.791 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -6.354 12.369 -5.717 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -6.742 10.919 -6.674 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -5.406 10.879 -5.498 1.00 0.00 H new ATOM 1132 N GLY A 73 -2.266 11.984 -8.755 1.00 0.00 N ATOM 1133 CA GLY A 73 -1.305 12.624 -9.662 1.00 0.00 C ATOM 1134 C GLY A 73 -0.683 11.682 -10.705 1.00 0.00 C ATOM 1135 O GLY A 73 -0.327 12.115 -11.799 1.00 0.00 O ATOM 0 H GLY A 73 -1.994 12.029 -7.773 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -1.805 13.441 -10.182 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -0.505 13.067 -9.069 1.00 0.00 H new ATOM 1139 N LYS A 74 -0.489 10.405 -10.341 1.00 0.00 N ATOM 1140 CA LYS A 74 -0.118 9.320 -11.255 1.00 0.00 C ATOM 1141 C LYS A 74 -1.242 9.069 -12.277 1.00 0.00 C ATOM 1142 O LYS A 74 -2.379 9.460 -12.080 1.00 0.00 O ATOM 1143 CB LYS A 74 0.160 8.050 -10.431 1.00 0.00 C ATOM 1144 CG LYS A 74 1.647 7.819 -10.162 1.00 0.00 C ATOM 1145 CD LYS A 74 1.884 6.598 -9.262 1.00 0.00 C ATOM 1146 CE LYS A 74 3.348 6.158 -9.244 1.00 0.00 C ATOM 1147 NZ LYS A 74 3.759 5.640 -10.566 1.00 0.00 N ATOM 0 H LYS A 74 -0.589 10.093 -9.375 1.00 0.00 H new ATOM 0 HA LYS A 74 0.779 9.598 -11.808 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -0.368 8.119 -9.480 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -0.245 7.187 -10.959 1.00 0.00 H new ATOM 0 HG2 LYS A 74 2.169 7.679 -11.108 1.00 0.00 H new ATOM 0 HG3 LYS A 74 2.072 8.705 -9.691 1.00 0.00 H new ATOM 0 HD2 LYS A 74 1.566 6.833 -8.246 1.00 0.00 H new ATOM 0 HD3 LYS A 74 1.264 5.771 -9.607 1.00 0.00 H new ATOM 0 HE2 LYS A 74 3.982 7.000 -8.966 1.00 0.00 H new ATOM 0 HE3 LYS A 74 3.491 5.387 -8.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 4.449 4.872 -10.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 2.926 5.277 -11.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 4.192 6.406 -11.120 1.00 0.00 H new ATOM 1161 N ASN A 75 -0.892 8.378 -13.362 1.00 0.00 N ATOM 1162 CA ASN A 75 -1.804 8.069 -14.471 1.00 0.00 C ATOM 1163 C ASN A 75 -1.822 6.581 -14.863 1.00 0.00 C ATOM 1164 O ASN A 75 -2.871 6.028 -15.150 1.00 0.00 O ATOM 1165 CB ASN A 75 -1.387 8.928 -15.673 1.00 0.00 C ATOM 1166 CG ASN A 75 -2.486 8.963 -16.712 1.00 0.00 C ATOM 1167 OD1 ASN A 75 -2.544 8.155 -17.615 1.00 0.00 O ATOM 1168 ND2 ASN A 75 -3.360 9.938 -16.646 1.00 0.00 N ATOM 0 H ASN A 75 0.049 8.009 -13.500 1.00 0.00 H new ATOM 0 HA ASN A 75 -2.819 8.296 -14.145 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -1.161 9.941 -15.341 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -0.475 8.526 -16.114 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -4.090 10.018 -17.354 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -3.310 10.617 -15.886 1.00 0.00 H new ATOM 1175 N ALA A 76 -0.645 5.942 -14.878 1.00 0.00 N ATOM 1176 CA ALA A 76 -0.508 4.493 -15.050 1.00 0.00 C ATOM 1177 C ALA A 76 -1.277 3.698 -13.970 1.00 0.00 C ATOM 1178 O ALA A 76 -1.767 4.270 -13.001 1.00 0.00 O ATOM 1179 CB ALA A 76 0.994 4.150 -15.113 1.00 0.00 C ATOM 0 H ALA A 76 0.248 6.423 -14.770 1.00 0.00 H new ATOM 0 HA ALA A 76 -0.972 4.188 -15.988 1.00 0.00 H new ATOM 0 HB1 ALA A 76 1.117 3.074 -15.241 1.00 0.00 H new ATOM 0 HB2 ALA A 76 1.451 4.670 -15.955 1.00 0.00 H new ATOM 0 HB3 ALA A 76 1.478 4.463 -14.188 1.00 0.00 H new ATOM 1185 N GLU A 77 -1.332 2.375 -14.115 1.00 0.00 N ATOM 1186 CA GLU A 77 -2.039 1.463 -13.210 1.00 0.00 C ATOM 1187 C GLU A 77 -1.260 0.158 -13.038 1.00 0.00 C ATOM 1188 O GLU A 77 -0.527 -0.268 -13.934 1.00 0.00 O ATOM 1189 CB GLU A 77 -3.438 1.167 -13.766 1.00 0.00 C ATOM 1190 CG GLU A 77 -4.463 2.227 -13.355 1.00 0.00 C ATOM 1191 CD GLU A 77 -5.734 2.084 -14.202 1.00 0.00 C ATOM 1192 OE1 GLU A 77 -6.256 0.939 -14.257 1.00 0.00 O ATOM 1193 OE2 GLU A 77 -6.176 3.100 -14.776 1.00 0.00 O ATOM 0 H GLU A 77 -0.873 1.892 -14.887 1.00 0.00 H new ATOM 0 HA GLU A 77 -2.129 1.940 -12.234 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -3.390 1.113 -14.854 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -3.768 0.190 -13.413 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -4.706 2.119 -12.298 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -4.040 3.223 -13.484 1.00 0.00 H new ATOM 1200 N TRP A 78 -1.407 -0.481 -11.874 1.00 0.00 N ATOM 1201 CA TRP A 78 -0.727 -1.736 -11.576 1.00 0.00 C ATOM 1202 C TRP A 78 -1.566 -2.911 -12.096 1.00 0.00 C ATOM 1203 O TRP A 78 -2.798 -2.896 -12.063 1.00 0.00 O ATOM 1204 CB TRP A 78 -0.370 -1.844 -10.082 1.00 0.00 C ATOM 1205 CG TRP A 78 0.959 -2.502 -9.818 1.00 0.00 C ATOM 1206 CD1 TRP A 78 1.154 -3.836 -9.725 1.00 0.00 C ATOM 1207 CD2 TRP A 78 2.270 -1.906 -9.529 1.00 0.00 C ATOM 1208 NE1 TRP A 78 2.488 -4.100 -9.501 1.00 0.00 N ATOM 1209 CE2 TRP A 78 3.220 -2.953 -9.321 1.00 0.00 C ATOM 1210 CE3 TRP A 78 2.754 -0.597 -9.333 1.00 0.00 C ATOM 1211 CZ2 TRP A 78 4.551 -2.717 -8.932 1.00 0.00 C ATOM 1212 CZ3 TRP A 78 4.090 -0.337 -8.994 1.00 0.00 C ATOM 1213 CH2 TRP A 78 4.987 -1.389 -8.787 1.00 0.00 C ATOM 0 H TRP A 78 -2.000 -0.141 -11.117 1.00 0.00 H new ATOM 0 HA TRP A 78 0.229 -1.766 -12.099 1.00 0.00 H new ATOM 0 HB2 TRP A 78 -0.362 -0.844 -9.647 1.00 0.00 H new ATOM 0 HB3 TRP A 78 -1.151 -2.408 -9.572 1.00 0.00 H new ATOM 0 HD1 TRP A 78 0.380 -4.584 -9.813 1.00 0.00 H new ATOM 0 HE1 TRP A 78 2.885 -5.039 -9.472 1.00 0.00 H new ATOM 0 HE3 TRP A 78 2.073 0.234 -9.448 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 5.225 -3.541 -8.748 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 4.428 0.684 -8.892 1.00 0.00 H new ATOM 0 HH2 TRP A 78 6.012 -1.182 -8.516 1.00 0.00 H new ATOM 1224 N ALA A 79 -0.880 -3.932 -12.602 1.00 0.00 N ATOM 1225 CA ALA A 79 -1.493 -5.148 -13.127 1.00 0.00 C ATOM 1226 C ALA A 79 -1.235 -6.326 -12.182 1.00 0.00 C ATOM 1227 O ALA A 79 -0.673 -6.170 -11.109 1.00 0.00 O ATOM 1228 CB ALA A 79 -1.039 -5.399 -14.577 1.00 0.00 C ATOM 0 H ALA A 79 0.138 -3.937 -12.660 1.00 0.00 H new ATOM 0 HA ALA A 79 -2.575 -5.027 -13.170 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -1.506 -6.310 -14.952 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -1.334 -4.556 -15.202 1.00 0.00 H new ATOM 0 HB3 ALA A 79 0.045 -5.509 -14.605 1.00 0.00 H new ATOM 1234 N LYS A 80 -1.710 -7.518 -12.530 1.00 0.00 N ATOM 1235 CA LYS A 80 -1.474 -8.731 -11.735 1.00 0.00 C ATOM 1236 C LYS A 80 -0.144 -9.380 -12.092 1.00 0.00 C ATOM 1237 O LYS A 80 0.697 -9.639 -11.243 1.00 0.00 O ATOM 1238 CB LYS A 80 -2.628 -9.717 -11.952 1.00 0.00 C ATOM 1239 CG LYS A 80 -3.840 -9.362 -11.083 1.00 0.00 C ATOM 1240 CD LYS A 80 -4.928 -10.437 -11.196 1.00 0.00 C ATOM 1241 CE LYS A 80 -5.821 -10.228 -12.425 1.00 0.00 C ATOM 1242 NZ LYS A 80 -6.953 -11.189 -12.428 1.00 0.00 N ATOM 0 H LYS A 80 -2.269 -7.676 -13.368 1.00 0.00 H new ATOM 0 HA LYS A 80 -1.429 -8.451 -10.683 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -2.918 -9.713 -13.003 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -2.294 -10.728 -11.717 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -3.530 -9.261 -10.043 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -4.243 -8.397 -11.391 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -4.461 -11.420 -11.251 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -5.543 -10.426 -10.296 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -6.205 -9.208 -12.431 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -5.231 -10.352 -13.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -7.543 -11.028 -13.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -6.583 -12.161 -12.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -7.527 -11.052 -11.571 1.00 0.00 H new ATOM 1256 N ASP A 81 0.020 -9.710 -13.368 1.00 0.00 N ATOM 1257 CA ASP A 81 1.232 -10.364 -13.851 1.00 0.00 C ATOM 1258 C ASP A 81 2.270 -9.338 -14.347 1.00 0.00 C ATOM 1259 O ASP A 81 2.611 -9.266 -15.525 1.00 0.00 O ATOM 1260 CB ASP A 81 0.874 -11.438 -14.883 1.00 0.00 C ATOM 1261 CG ASP A 81 2.104 -12.283 -15.219 1.00 0.00 C ATOM 1262 OD1 ASP A 81 2.947 -12.439 -14.305 1.00 0.00 O ATOM 1263 OD2 ASP A 81 2.156 -12.782 -16.359 1.00 0.00 O ATOM 0 H ASP A 81 -0.677 -9.534 -14.092 1.00 0.00 H new ATOM 0 HA ASP A 81 1.719 -10.878 -13.023 1.00 0.00 H new ATOM 0 HB2 ASP A 81 0.081 -12.077 -14.493 1.00 0.00 H new ATOM 0 HB3 ASP A 81 0.489 -10.968 -15.788 1.00 0.00 H new ATOM 1268 N VAL A 82 2.733 -8.466 -13.443 1.00 0.00 N ATOM 1269 CA VAL A 82 3.680 -7.392 -13.760 1.00 0.00 C ATOM 1270 C VAL A 82 4.685 -7.146 -12.636 1.00 0.00 C ATOM 1271 O VAL A 82 4.371 -6.670 -11.552 1.00 0.00 O ATOM 1272 CB VAL A 82 2.917 -6.122 -14.142 1.00 0.00 C ATOM 1273 CG1 VAL A 82 2.129 -5.536 -12.976 1.00 0.00 C ATOM 1274 CG2 VAL A 82 3.865 -5.073 -14.726 1.00 0.00 C ATOM 0 H VAL A 82 2.457 -8.487 -12.461 1.00 0.00 H new ATOM 0 HA VAL A 82 4.274 -7.708 -14.617 1.00 0.00 H new ATOM 0 HB VAL A 82 2.193 -6.411 -14.904 1.00 0.00 H new ATOM 0 HG11 VAL A 82 1.608 -4.637 -13.304 1.00 0.00 H new ATOM 0 HG12 VAL A 82 1.403 -6.268 -12.623 1.00 0.00 H new ATOM 0 HG13 VAL A 82 2.812 -5.283 -12.165 1.00 0.00 H new ATOM 0 HG21 VAL A 82 3.300 -4.179 -14.990 1.00 0.00 H new ATOM 0 HG22 VAL A 82 4.624 -4.817 -13.987 1.00 0.00 H new ATOM 0 HG23 VAL A 82 4.347 -5.474 -15.618 1.00 0.00 H new ATOM 1284 N LYS A 83 5.946 -7.489 -12.890 1.00 0.00 N ATOM 1285 CA LYS A 83 7.024 -7.206 -11.935 1.00 0.00 C ATOM 1286 C LYS A 83 7.379 -5.710 -11.919 1.00 0.00 C ATOM 1287 O LYS A 83 7.092 -4.993 -12.875 1.00 0.00 O ATOM 1288 CB LYS A 83 8.236 -8.089 -12.247 1.00 0.00 C ATOM 1289 CG LYS A 83 9.037 -7.573 -13.450 1.00 0.00 C ATOM 1290 CD LYS A 83 10.175 -8.528 -13.805 1.00 0.00 C ATOM 1291 CE LYS A 83 9.680 -9.791 -14.522 1.00 0.00 C ATOM 1292 NZ LYS A 83 9.289 -9.522 -15.930 1.00 0.00 N ATOM 0 H LYS A 83 6.249 -7.960 -13.742 1.00 0.00 H new ATOM 0 HA LYS A 83 6.681 -7.449 -10.929 1.00 0.00 H new ATOM 0 HB2 LYS A 83 8.885 -8.133 -11.373 1.00 0.00 H new ATOM 0 HB3 LYS A 83 7.900 -9.107 -12.446 1.00 0.00 H new ATOM 0 HG2 LYS A 83 8.375 -7.456 -14.308 1.00 0.00 H new ATOM 0 HG3 LYS A 83 9.443 -6.587 -13.224 1.00 0.00 H new ATOM 0 HD2 LYS A 83 10.894 -8.011 -14.441 1.00 0.00 H new ATOM 0 HD3 LYS A 83 10.702 -8.814 -12.895 1.00 0.00 H new ATOM 0 HE2 LYS A 83 10.464 -10.548 -14.503 1.00 0.00 H new ATOM 0 HE3 LYS A 83 8.827 -10.202 -13.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 9.010 -10.413 -16.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 8.489 -8.858 -15.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 10.094 -9.107 -16.441 1.00 0.00 H new ATOM 1306 N THR A 84 8.174 -5.277 -10.940 1.00 0.00 N ATOM 1307 CA THR A 84 8.702 -3.900 -10.829 1.00 0.00 C ATOM 1308 C THR A 84 9.512 -3.418 -12.035 1.00 0.00 C ATOM 1309 O THR A 84 9.280 -2.316 -12.506 1.00 0.00 O ATOM 1310 CB THR A 84 9.607 -3.764 -9.603 1.00 0.00 C ATOM 1311 OG1 THR A 84 10.579 -4.791 -9.633 1.00 0.00 O ATOM 1312 CG2 THR A 84 8.822 -3.853 -8.292 1.00 0.00 C ATOM 0 H THR A 84 8.481 -5.883 -10.179 1.00 0.00 H new ATOM 0 HA THR A 84 7.807 -3.282 -10.757 1.00 0.00 H new ATOM 0 HB THR A 84 10.077 -2.781 -9.641 1.00 0.00 H new ATOM 0 HG1 THR A 84 11.165 -4.710 -8.851 1.00 0.00 H new ATOM 0 HG21 THR A 84 9.507 -3.751 -7.450 1.00 0.00 H new ATOM 0 HG22 THR A 84 8.082 -3.054 -8.256 1.00 0.00 H new ATOM 0 HG23 THR A 84 8.318 -4.818 -8.235 1.00 0.00 H new ATOM 1320 N SER A 85 10.453 -4.228 -12.543 1.00 0.00 N ATOM 1321 CA SER A 85 11.256 -3.916 -13.743 1.00 0.00 C ATOM 1322 C SER A 85 10.386 -3.665 -14.980 1.00 0.00 C ATOM 1323 O SER A 85 10.633 -2.749 -15.755 1.00 0.00 O ATOM 1324 CB SER A 85 12.214 -5.075 -14.044 1.00 0.00 C ATOM 1325 OG SER A 85 13.006 -4.810 -15.180 1.00 0.00 O ATOM 0 H SER A 85 10.683 -5.131 -12.129 1.00 0.00 H new ATOM 0 HA SER A 85 11.809 -3.002 -13.526 1.00 0.00 H new ATOM 0 HB2 SER A 85 12.859 -5.248 -13.182 1.00 0.00 H new ATOM 0 HB3 SER A 85 11.642 -5.989 -14.203 1.00 0.00 H new ATOM 0 HG SER A 85 13.606 -5.567 -15.344 1.00 0.00 H new ATOM 1331 N GLN A 86 9.371 -4.516 -15.182 1.00 0.00 N ATOM 1332 CA GLN A 86 8.399 -4.332 -16.261 1.00 0.00 C ATOM 1333 C GLN A 86 7.556 -3.079 -16.002 1.00 0.00 C ATOM 1334 O GLN A 86 7.307 -2.346 -16.942 1.00 0.00 O ATOM 1335 CB GLN A 86 7.512 -5.580 -16.419 1.00 0.00 C ATOM 1336 CG GLN A 86 6.400 -5.450 -17.484 1.00 0.00 C ATOM 1337 CD GLN A 86 6.856 -5.559 -18.940 1.00 0.00 C ATOM 1338 OE1 GLN A 86 8.022 -5.458 -19.278 1.00 0.00 O ATOM 1339 NE2 GLN A 86 5.942 -5.810 -19.854 1.00 0.00 N ATOM 0 H GLN A 86 9.204 -5.342 -14.607 1.00 0.00 H new ATOM 0 HA GLN A 86 8.938 -4.194 -17.198 1.00 0.00 H new ATOM 0 HB2 GLN A 86 8.145 -6.429 -16.676 1.00 0.00 H new ATOM 0 HB3 GLN A 86 7.051 -5.806 -15.457 1.00 0.00 H new ATOM 0 HG2 GLN A 86 5.653 -6.222 -17.298 1.00 0.00 H new ATOM 0 HG3 GLN A 86 5.905 -4.488 -17.349 1.00 0.00 H new ATOM 0 HE21 GLN A 86 4.962 -5.897 -19.585 1.00 0.00 H new ATOM 0 HE22 GLN A 86 6.214 -5.917 -20.831 1.00 0.00 H new ATOM 1348 N GLN A 87 7.094 -2.853 -14.769 1.00 0.00 N ATOM 1349 CA GLN A 87 6.152 -1.805 -14.377 1.00 0.00 C ATOM 1350 C GLN A 87 6.315 -0.446 -15.093 1.00 0.00 C ATOM 1351 O GLN A 87 7.189 0.360 -14.771 1.00 0.00 O ATOM 1352 CB GLN A 87 6.161 -1.654 -12.844 1.00 0.00 C ATOM 1353 CG GLN A 87 4.946 -0.887 -12.332 1.00 0.00 C ATOM 1354 CD GLN A 87 3.672 -1.397 -12.970 1.00 0.00 C ATOM 1355 OE1 GLN A 87 3.222 -0.860 -13.965 1.00 0.00 O ATOM 1356 NE2 GLN A 87 3.158 -2.527 -12.554 1.00 0.00 N ATOM 0 H GLN A 87 7.383 -3.427 -13.977 1.00 0.00 H new ATOM 0 HA GLN A 87 5.174 -2.143 -14.718 1.00 0.00 H new ATOM 0 HB2 GLN A 87 6.185 -2.642 -12.384 1.00 0.00 H new ATOM 0 HB3 GLN A 87 7.070 -1.137 -12.537 1.00 0.00 H new ATOM 0 HG2 GLN A 87 4.879 -0.987 -11.249 1.00 0.00 H new ATOM 0 HG3 GLN A 87 5.065 0.175 -12.548 1.00 0.00 H new ATOM 0 HE21 GLN A 87 3.532 -2.981 -11.721 1.00 0.00 H new ATOM 0 HE22 GLN A 87 2.384 -2.953 -13.063 1.00 0.00 H new ATOM 1365 N LYS A 88 5.440 -0.160 -16.066 1.00 0.00 N ATOM 1366 CA LYS A 88 5.570 1.000 -16.958 1.00 0.00 C ATOM 1367 C LYS A 88 4.776 2.177 -16.409 1.00 0.00 C ATOM 1368 O LYS A 88 3.582 2.304 -16.642 1.00 0.00 O ATOM 1369 CB LYS A 88 5.166 0.655 -18.404 1.00 0.00 C ATOM 1370 CG LYS A 88 5.891 -0.559 -19.007 1.00 0.00 C ATOM 1371 CD LYS A 88 7.423 -0.411 -19.119 1.00 0.00 C ATOM 1372 CE LYS A 88 7.863 0.448 -20.306 1.00 0.00 C ATOM 1373 NZ LYS A 88 7.598 -0.262 -21.583 1.00 0.00 N ATOM 0 H LYS A 88 4.617 -0.731 -16.258 1.00 0.00 H new ATOM 0 HA LYS A 88 6.620 1.289 -16.993 1.00 0.00 H new ATOM 0 HB2 LYS A 88 4.092 0.469 -18.431 1.00 0.00 H new ATOM 0 HB3 LYS A 88 5.355 1.523 -19.035 1.00 0.00 H new ATOM 0 HG2 LYS A 88 5.669 -1.436 -18.399 1.00 0.00 H new ATOM 0 HG3 LYS A 88 5.485 -0.749 -20.001 1.00 0.00 H new ATOM 0 HD2 LYS A 88 7.807 0.029 -18.199 1.00 0.00 H new ATOM 0 HD3 LYS A 88 7.871 -1.401 -19.210 1.00 0.00 H new ATOM 0 HE2 LYS A 88 7.330 1.398 -20.293 1.00 0.00 H new ATOM 0 HE3 LYS A 88 8.925 0.678 -20.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 8.134 0.192 -22.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 7.893 -1.255 -21.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 6.581 -0.221 -21.799 1.00 0.00 H new ATOM 1387 N GLY A 89 5.446 3.054 -15.662 1.00 0.00 N ATOM 1388 CA GLY A 89 4.790 4.262 -15.144 1.00 0.00 C ATOM 1389 C GLY A 89 5.470 4.908 -13.944 1.00 0.00 C ATOM 1390 O GLY A 89 5.393 6.117 -13.750 1.00 0.00 O ATOM 0 H GLY A 89 6.428 2.957 -15.403 1.00 0.00 H new ATOM 0 HA2 GLY A 89 4.732 4.997 -15.947 1.00 0.00 H new ATOM 0 HA3 GLY A 89 3.766 4.010 -14.868 1.00 0.00 H new ATOM 1394 N GLY A 90 6.099 4.099 -13.096 1.00 0.00 N ATOM 1395 CA GLY A 90 6.957 4.553 -12.008 1.00 0.00 C ATOM 1396 C GLY A 90 6.673 3.837 -10.691 1.00 0.00 C ATOM 1397 O GLY A 90 5.521 3.465 -10.438 1.00 0.00 O ATOM 0 H GLY A 90 6.023 3.083 -13.149 1.00 0.00 H new ATOM 0 HA2 GLY A 90 8.000 4.396 -12.284 1.00 0.00 H new ATOM 0 HA3 GLY A 90 6.823 5.626 -11.869 1.00 0.00 H new ATOM 1401 N PRO A 91 7.674 3.743 -9.803 1.00 0.00 N ATOM 1402 CA PRO A 91 7.514 3.096 -8.517 1.00 0.00 C ATOM 1403 C PRO A 91 6.508 3.846 -7.643 1.00 0.00 C ATOM 1404 O PRO A 91 6.424 5.078 -7.640 1.00 0.00 O ATOM 1405 CB PRO A 91 8.913 3.053 -7.910 1.00 0.00 C ATOM 1406 CG PRO A 91 9.635 4.245 -8.541 1.00 0.00 C ATOM 1407 CD PRO A 91 8.998 4.339 -9.926 1.00 0.00 C ATOM 0 HA PRO A 91 7.105 2.090 -8.607 1.00 0.00 H new ATOM 0 HB2 PRO A 91 8.878 3.138 -6.824 1.00 0.00 H new ATOM 0 HB3 PRO A 91 9.418 2.115 -8.140 1.00 0.00 H new ATOM 0 HG2 PRO A 91 9.485 5.158 -7.965 1.00 0.00 H new ATOM 0 HG3 PRO A 91 10.711 4.079 -8.602 1.00 0.00 H new ATOM 0 HD2 PRO A 91 8.930 5.376 -10.254 1.00 0.00 H new ATOM 0 HD3 PRO A 91 9.597 3.809 -10.667 1.00 0.00 H new ATOM 1415 N THR A 92 5.744 3.066 -6.885 1.00 0.00 N ATOM 1416 CA THR A 92 4.793 3.548 -5.885 1.00 0.00 C ATOM 1417 C THR A 92 5.145 3.012 -4.491 1.00 0.00 C ATOM 1418 O THR A 92 5.268 1.801 -4.285 1.00 0.00 O ATOM 1419 CB THR A 92 3.318 3.370 -6.268 1.00 0.00 C ATOM 1420 OG1 THR A 92 2.527 3.430 -5.106 1.00 0.00 O ATOM 1421 CG2 THR A 92 3.035 2.133 -7.099 1.00 0.00 C ATOM 0 H THR A 92 5.769 2.048 -6.951 1.00 0.00 H new ATOM 0 HA THR A 92 4.904 4.632 -5.851 1.00 0.00 H new ATOM 0 HB THR A 92 3.051 4.194 -6.930 1.00 0.00 H new ATOM 0 HG1 THR A 92 1.582 3.492 -5.357 1.00 0.00 H new ATOM 0 HG21 THR A 92 1.970 2.083 -7.326 1.00 0.00 H new ATOM 0 HG22 THR A 92 3.602 2.181 -8.028 1.00 0.00 H new ATOM 0 HG23 THR A 92 3.329 1.244 -6.540 1.00 0.00 H new ATOM 1429 N PRO A 93 5.405 3.920 -3.532 1.00 0.00 N ATOM 1430 CA PRO A 93 5.655 3.580 -2.152 1.00 0.00 C ATOM 1431 C PRO A 93 4.373 3.206 -1.410 1.00 0.00 C ATOM 1432 O PRO A 93 4.409 2.480 -0.419 1.00 0.00 O ATOM 1433 CB PRO A 93 6.314 4.838 -1.567 1.00 0.00 C ATOM 1434 CG PRO A 93 5.754 5.988 -2.370 1.00 0.00 C ATOM 1435 CD PRO A 93 5.598 5.341 -3.722 1.00 0.00 C ATOM 0 HA PRO A 93 6.290 2.699 -2.054 1.00 0.00 H new ATOM 0 HB2 PRO A 93 6.082 4.948 -0.508 1.00 0.00 H new ATOM 0 HB3 PRO A 93 7.400 4.790 -1.652 1.00 0.00 H new ATOM 0 HG2 PRO A 93 4.805 6.346 -1.972 1.00 0.00 H new ATOM 0 HG3 PRO A 93 6.431 6.842 -2.396 1.00 0.00 H new ATOM 0 HD2 PRO A 93 4.748 5.771 -4.252 1.00 0.00 H new ATOM 0 HD3 PRO A 93 6.481 5.525 -4.334 1.00 0.00 H new ATOM 1443 N ILE A 94 3.248 3.734 -1.882 1.00 0.00 N ATOM 1444 CA ILE A 94 1.926 3.499 -1.338 1.00 0.00 C ATOM 1445 C ILE A 94 1.455 2.087 -1.703 1.00 0.00 C ATOM 1446 O ILE A 94 1.416 1.731 -2.880 1.00 0.00 O ATOM 1447 CB ILE A 94 0.952 4.584 -1.810 1.00 0.00 C ATOM 1448 CG1 ILE A 94 1.425 5.953 -1.296 1.00 0.00 C ATOM 1449 CG2 ILE A 94 -0.428 4.316 -1.208 1.00 0.00 C ATOM 1450 CD1 ILE A 94 0.724 7.128 -1.945 1.00 0.00 C ATOM 0 H ILE A 94 3.238 4.361 -2.686 1.00 0.00 H new ATOM 0 HA ILE A 94 1.962 3.559 -0.250 1.00 0.00 H new ATOM 0 HB ILE A 94 0.909 4.576 -2.899 1.00 0.00 H new ATOM 0 HG12 ILE A 94 1.268 5.999 -0.218 1.00 0.00 H new ATOM 0 HG13 ILE A 94 2.498 6.043 -1.466 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -1.125 5.085 -1.540 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -0.783 3.338 -1.534 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -0.360 4.333 -0.120 1.00 0.00 H new ATOM 0 HD11 ILE A 94 1.112 8.058 -1.530 1.00 0.00 H new ATOM 0 HD12 ILE A 94 0.901 7.109 -3.020 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -0.347 7.064 -1.753 1.00 0.00 H new ATOM 1462 N ARG A 95 1.101 1.275 -0.704 1.00 0.00 N ATOM 1463 CA ARG A 95 0.582 -0.083 -0.895 1.00 0.00 C ATOM 1464 C ARG A 95 -0.624 -0.324 -0.001 1.00 0.00 C ATOM 1465 O ARG A 95 -0.533 -0.148 1.209 1.00 0.00 O ATOM 1466 CB ARG A 95 1.679 -1.125 -0.648 1.00 0.00 C ATOM 1467 CG ARG A 95 2.620 -1.252 -1.844 1.00 0.00 C ATOM 1468 CD ARG A 95 3.644 -2.342 -1.566 1.00 0.00 C ATOM 1469 NE ARG A 95 4.451 -2.653 -2.748 1.00 0.00 N ATOM 1470 CZ ARG A 95 5.477 -3.482 -2.737 1.00 0.00 C ATOM 1471 NH1 ARG A 95 5.876 -4.091 -1.657 1.00 0.00 N ATOM 1472 NH2 ARG A 95 6.131 -3.712 -3.840 1.00 0.00 N ATOM 0 H ARG A 95 1.168 1.546 0.277 1.00 0.00 H new ATOM 0 HA ARG A 95 0.257 -0.187 -1.930 1.00 0.00 H new ATOM 0 HB2 ARG A 95 2.251 -0.847 0.237 1.00 0.00 H new ATOM 0 HB3 ARG A 95 1.221 -2.092 -0.441 1.00 0.00 H new ATOM 0 HG2 ARG A 95 2.053 -1.491 -2.744 1.00 0.00 H new ATOM 0 HG3 ARG A 95 3.123 -0.303 -2.027 1.00 0.00 H new ATOM 0 HD2 ARG A 95 4.298 -2.026 -0.754 1.00 0.00 H new ATOM 0 HD3 ARG A 95 3.131 -3.243 -1.230 1.00 0.00 H new ATOM 0 HE ARG A 95 4.206 -2.203 -3.630 1.00 0.00 H new ATOM 0 HH11 ARG A 95 5.390 -3.935 -0.774 1.00 0.00 H new ATOM 0 HH12 ARG A 95 6.675 -4.724 -1.694 1.00 0.00 H new ATOM 0 HH21 ARG A 95 5.849 -3.252 -4.706 1.00 0.00 H new ATOM 0 HH22 ARG A 95 6.925 -4.352 -3.838 1.00 0.00 H new ATOM 1486 N VAL A 96 -1.769 -0.662 -0.581 1.00 0.00 N ATOM 1487 CA VAL A 96 -2.981 -1.016 0.166 1.00 0.00 C ATOM 1488 C VAL A 96 -2.756 -2.287 0.984 1.00 0.00 C ATOM 1489 O VAL A 96 -2.232 -3.249 0.434 1.00 0.00 O ATOM 1490 CB VAL A 96 -4.178 -1.172 -0.783 1.00 0.00 C ATOM 1491 CG1 VAL A 96 -4.081 -2.392 -1.697 1.00 0.00 C ATOM 1492 CG2 VAL A 96 -5.471 -1.189 0.036 1.00 0.00 C ATOM 0 H VAL A 96 -1.889 -0.700 -1.593 1.00 0.00 H new ATOM 0 HA VAL A 96 -3.208 -0.206 0.859 1.00 0.00 H new ATOM 0 HB VAL A 96 -4.176 -0.314 -1.455 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -4.961 -2.437 -2.339 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -3.186 -2.314 -2.314 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -4.027 -3.297 -1.092 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -6.324 -1.300 -0.633 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -5.448 -2.025 0.735 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -5.563 -0.255 0.590 1.00 0.00 H new ATOM 1502 N VAL A 97 -3.170 -2.316 2.250 1.00 0.00 N ATOM 1503 CA VAL A 97 -3.075 -3.458 3.171 1.00 0.00 C ATOM 1504 C VAL A 97 -4.450 -3.927 3.642 1.00 0.00 C ATOM 1505 O VAL A 97 -5.380 -3.169 3.929 1.00 0.00 O ATOM 1506 CB VAL A 97 -2.148 -3.161 4.372 1.00 0.00 C ATOM 1507 CG1 VAL A 97 -1.879 -4.366 5.296 1.00 0.00 C ATOM 1508 CG2 VAL A 97 -0.825 -2.555 3.892 1.00 0.00 C ATOM 0 H VAL A 97 -3.604 -1.503 2.688 1.00 0.00 H new ATOM 0 HA VAL A 97 -2.625 -4.274 2.605 1.00 0.00 H new ATOM 0 HB VAL A 97 -2.693 -2.442 4.983 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -1.220 -4.061 6.109 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -2.822 -4.725 5.709 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -1.405 -5.164 4.724 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -0.185 -2.352 4.751 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -0.325 -3.256 3.224 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.023 -1.625 3.359 1.00 0.00 H new ATOM 1518 N TYR A 98 -4.608 -5.242 3.661 1.00 0.00 N ATOM 1519 CA TYR A 98 -5.864 -5.932 3.852 1.00 0.00 C ATOM 1520 C TYR A 98 -5.642 -7.271 4.538 1.00 0.00 C ATOM 1521 O TYR A 98 -4.615 -7.908 4.362 1.00 0.00 O ATOM 1522 CB TYR A 98 -6.552 -6.102 2.497 1.00 0.00 C ATOM 1523 CG TYR A 98 -5.693 -6.530 1.320 1.00 0.00 C ATOM 1524 CD1 TYR A 98 -4.788 -5.643 0.696 1.00 0.00 C ATOM 1525 CD2 TYR A 98 -5.889 -7.804 0.774 1.00 0.00 C ATOM 1526 CE1 TYR A 98 -4.041 -6.057 -0.422 1.00 0.00 C ATOM 1527 CE2 TYR A 98 -5.207 -8.196 -0.383 1.00 0.00 C ATOM 1528 CZ TYR A 98 -4.270 -7.331 -0.975 1.00 0.00 C ATOM 1529 OH TYR A 98 -3.579 -7.751 -2.055 1.00 0.00 O ATOM 0 H TYR A 98 -3.824 -5.882 3.537 1.00 0.00 H new ATOM 0 HA TYR A 98 -6.511 -5.343 4.502 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -7.349 -6.836 2.615 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -7.026 -5.155 2.240 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -4.669 -4.640 1.080 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -6.573 -8.491 1.250 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -3.298 -5.402 -0.853 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -5.400 -9.164 -0.822 1.00 0.00 H new ATOM 0 HH TYR A 98 -3.993 -8.564 -2.413 1.00 0.00 H new ATOM 1539 N ALA A 99 -6.620 -7.688 5.334 1.00 0.00 N ATOM 1540 CA ALA A 99 -6.591 -8.941 6.072 1.00 0.00 C ATOM 1541 C ALA A 99 -7.185 -10.078 5.228 1.00 0.00 C ATOM 1542 O ALA A 99 -7.903 -9.850 4.252 1.00 0.00 O ATOM 1543 CB ALA A 99 -7.320 -8.753 7.417 1.00 0.00 C ATOM 0 H ALA A 99 -7.474 -7.151 5.486 1.00 0.00 H new ATOM 0 HA ALA A 99 -5.561 -9.225 6.288 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -7.302 -9.689 7.975 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -6.821 -7.976 7.996 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -8.354 -8.461 7.233 1.00 0.00 H new ATOM 1549 N ASN A 100 -6.942 -11.307 5.676 1.00 0.00 N ATOM 1550 CA ASN A 100 -7.426 -12.561 5.108 1.00 0.00 C ATOM 1551 C ASN A 100 -8.322 -13.335 6.103 1.00 0.00 C ATOM 1552 O ASN A 100 -8.435 -14.550 6.024 1.00 0.00 O ATOM 1553 CB ASN A 100 -6.187 -13.344 4.644 1.00 0.00 C ATOM 1554 CG ASN A 100 -6.476 -14.693 4.014 1.00 0.00 C ATOM 1555 OD1 ASN A 100 -5.894 -15.703 4.359 1.00 0.00 O ATOM 1556 ND2 ASN A 100 -7.376 -14.760 3.067 1.00 0.00 N ATOM 0 H ASN A 100 -6.363 -11.463 6.501 1.00 0.00 H new ATOM 0 HA ASN A 100 -8.079 -12.385 4.253 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -5.640 -12.735 3.925 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -5.530 -13.494 5.500 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -7.585 -15.655 2.624 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -7.869 -13.917 2.771 1.00 0.00 H new ATOM 1563 N SER A 101 -8.988 -12.642 7.037 1.00 0.00 N ATOM 1564 CA SER A 101 -9.857 -13.262 8.056 1.00 0.00 C ATOM 1565 C SER A 101 -10.944 -14.162 7.445 1.00 0.00 C ATOM 1566 O SER A 101 -10.984 -15.359 7.710 1.00 0.00 O ATOM 1567 CB SER A 101 -10.493 -12.199 8.963 1.00 0.00 C ATOM 1568 OG SER A 101 -11.266 -11.283 8.206 1.00 0.00 O ATOM 0 H SER A 101 -8.941 -11.626 7.110 1.00 0.00 H new ATOM 0 HA SER A 101 -9.212 -13.901 8.659 1.00 0.00 H new ATOM 0 HB2 SER A 101 -11.123 -12.682 9.710 1.00 0.00 H new ATOM 0 HB3 SER A 101 -9.713 -11.663 9.503 1.00 0.00 H new ATOM 0 HG SER A 101 -11.663 -10.616 8.805 1.00 0.00 H new ATOM 1574 N ARG A 102 -11.850 -13.595 6.640 1.00 0.00 N ATOM 1575 CA ARG A 102 -12.918 -14.314 5.919 1.00 0.00 C ATOM 1576 C ARG A 102 -12.535 -14.709 4.480 1.00 0.00 C ATOM 1577 O ARG A 102 -13.401 -14.720 3.614 1.00 0.00 O ATOM 1578 CB ARG A 102 -14.218 -13.479 5.956 1.00 0.00 C ATOM 1579 CG ARG A 102 -15.490 -14.347 5.820 1.00 0.00 C ATOM 1580 CD ARG A 102 -15.889 -15.136 7.076 1.00 0.00 C ATOM 1581 NE ARG A 102 -16.127 -14.248 8.231 1.00 0.00 N ATOM 1582 CZ ARG A 102 -15.256 -13.903 9.160 1.00 0.00 C ATOM 1583 NH1 ARG A 102 -14.054 -14.407 9.193 1.00 0.00 N ATOM 1584 NH2 ARG A 102 -15.574 -13.026 10.072 1.00 0.00 N ATOM 0 H ARG A 102 -11.864 -12.590 6.464 1.00 0.00 H new ATOM 0 HA ARG A 102 -13.079 -15.260 6.436 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -14.261 -12.923 6.893 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -14.196 -12.745 5.150 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -16.321 -13.701 5.539 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -15.342 -15.051 5.001 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -16.790 -15.714 6.871 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -15.102 -15.849 7.322 1.00 0.00 H new ATOM 0 HE ARG A 102 -17.066 -13.859 8.320 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -13.766 -15.086 8.489 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -13.401 -14.122 9.923 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -16.502 -12.602 10.070 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -14.895 -12.765 10.787 1.00 0.00 H new ATOM 1598 N GLY A 103 -11.252 -14.946 4.176 1.00 0.00 N ATOM 1599 CA GLY A 103 -10.829 -15.229 2.793 1.00 0.00 C ATOM 1600 C GLY A 103 -11.246 -14.167 1.757 1.00 0.00 C ATOM 1601 O GLY A 103 -11.361 -14.459 0.572 1.00 0.00 O ATOM 0 H GLY A 103 -10.494 -14.948 4.859 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -9.744 -15.328 2.774 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -11.242 -16.192 2.492 1.00 0.00 H new ATOM 1605 N ALA A 104 -11.451 -12.930 2.209 1.00 0.00 N ATOM 1606 CA ALA A 104 -11.926 -11.785 1.453 1.00 0.00 C ATOM 1607 C ALA A 104 -11.244 -10.533 2.021 1.00 0.00 C ATOM 1608 O ALA A 104 -11.387 -10.214 3.203 1.00 0.00 O ATOM 1609 CB ALA A 104 -13.455 -11.736 1.534 1.00 0.00 C ATOM 0 H ALA A 104 -11.275 -12.691 3.185 1.00 0.00 H new ATOM 0 HA ALA A 104 -11.672 -11.851 0.395 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -13.822 -10.879 0.969 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -13.871 -12.652 1.115 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -13.761 -11.642 2.576 1.00 0.00 H new ATOM 1615 N VAL A 105 -10.445 -9.877 1.182 1.00 0.00 N ATOM 1616 CA VAL A 105 -9.892 -8.539 1.407 1.00 0.00 C ATOM 1617 C VAL A 105 -10.884 -7.606 2.087 1.00 0.00 C ATOM 1618 O VAL A 105 -11.946 -7.305 1.550 1.00 0.00 O ATOM 1619 CB VAL A 105 -9.362 -7.926 0.097 1.00 0.00 C ATOM 1620 CG1 VAL A 105 -10.289 -8.054 -1.132 1.00 0.00 C ATOM 1621 CG2 VAL A 105 -8.925 -6.469 0.265 1.00 0.00 C ATOM 0 H VAL A 105 -10.152 -10.277 0.291 1.00 0.00 H new ATOM 0 HA VAL A 105 -9.052 -8.659 2.091 1.00 0.00 H new ATOM 0 HB VAL A 105 -8.493 -8.548 -0.120 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -9.815 -7.588 -1.996 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -10.471 -9.108 -1.342 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -11.237 -7.556 -0.926 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -8.560 -6.086 -0.688 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -9.774 -5.870 0.595 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -8.129 -6.411 1.008 1.00 0.00 H new ATOM 1631 N GLN A 106 -10.503 -7.141 3.278 1.00 0.00 N ATOM 1632 CA GLN A 106 -11.299 -6.175 4.031 1.00 0.00 C ATOM 1633 C GLN A 106 -10.845 -4.724 3.850 1.00 0.00 C ATOM 1634 O GLN A 106 -11.547 -3.833 4.308 1.00 0.00 O ATOM 1635 CB GLN A 106 -11.332 -6.556 5.521 1.00 0.00 C ATOM 1636 CG GLN A 106 -10.058 -6.136 6.272 1.00 0.00 C ATOM 1637 CD GLN A 106 -10.071 -6.481 7.755 1.00 0.00 C ATOM 1638 OE1 GLN A 106 -10.523 -7.531 8.195 1.00 0.00 O ATOM 1639 NE2 GLN A 106 -9.493 -5.628 8.574 1.00 0.00 N ATOM 0 H GLN A 106 -9.640 -7.422 3.744 1.00 0.00 H new ATOM 0 HA GLN A 106 -12.307 -6.223 3.619 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -12.197 -6.088 5.992 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -11.464 -7.634 5.613 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -9.198 -6.617 5.805 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -9.921 -5.060 6.161 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -9.115 -4.752 8.214 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -9.424 -5.843 9.569 1.00 0.00 H new ATOM 1648 N TYR A 107 -9.666 -4.487 3.249 1.00 0.00 N ATOM 1649 CA TYR A 107 -9.054 -3.157 3.169 1.00 0.00 C ATOM 1650 C TYR A 107 -8.892 -2.533 4.573 1.00 0.00 C ATOM 1651 O TYR A 107 -9.506 -1.544 4.951 1.00 0.00 O ATOM 1652 CB TYR A 107 -9.851 -2.335 2.149 1.00 0.00 C ATOM 1653 CG TYR A 107 -9.556 -0.861 2.133 1.00 0.00 C ATOM 1654 CD1 TYR A 107 -8.377 -0.406 1.540 1.00 0.00 C ATOM 1655 CD2 TYR A 107 -10.412 0.039 2.786 1.00 0.00 C ATOM 1656 CE1 TYR A 107 -8.040 0.953 1.606 1.00 0.00 C ATOM 1657 CE2 TYR A 107 -10.041 1.386 2.912 1.00 0.00 C ATOM 1658 CZ TYR A 107 -8.869 1.858 2.294 1.00 0.00 C ATOM 1659 OH TYR A 107 -8.560 3.180 2.352 1.00 0.00 O ATOM 0 H TYR A 107 -9.111 -5.219 2.804 1.00 0.00 H new ATOM 0 HA TYR A 107 -8.029 -3.198 2.802 1.00 0.00 H new ATOM 0 HB2 TYR A 107 -9.658 -2.737 1.154 1.00 0.00 H new ATOM 0 HB3 TYR A 107 -10.914 -2.473 2.348 1.00 0.00 H new ATOM 0 HD1 TYR A 107 -7.725 -1.100 1.031 1.00 0.00 H new ATOM 0 HD2 TYR A 107 -11.353 -0.304 3.190 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -7.140 1.307 1.126 1.00 0.00 H new ATOM 0 HE2 TYR A 107 -10.657 2.063 3.485 1.00 0.00 H new ATOM 0 HH TYR A 107 -9.246 3.654 2.868 1.00 0.00 H new ATOM 1669 N CYS A 108 -8.032 -3.158 5.384 1.00 0.00 N ATOM 1670 CA CYS A 108 -7.632 -2.625 6.683 1.00 0.00 C ATOM 1671 C CYS A 108 -7.140 -1.167 6.590 1.00 0.00 C ATOM 1672 O CYS A 108 -7.476 -0.350 7.445 1.00 0.00 O ATOM 1673 CB CYS A 108 -6.549 -3.533 7.277 1.00 0.00 C ATOM 1674 SG CYS A 108 -5.851 -2.805 8.762 1.00 0.00 S ATOM 0 H CYS A 108 -7.595 -4.050 5.154 1.00 0.00 H new ATOM 0 HA CYS A 108 -8.505 -2.612 7.336 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -6.974 -4.509 7.510 1.00 0.00 H new ATOM 0 HB3 CYS A 108 -5.761 -3.696 6.542 1.00 0.00 H new ATOM 1679 N GLY A 109 -6.345 -0.855 5.567 1.00 0.00 N ATOM 1680 CA GLY A 109 -5.918 0.499 5.258 1.00 0.00 C ATOM 1681 C GLY A 109 -4.733 0.490 4.304 1.00 0.00 C ATOM 1682 O GLY A 109 -4.121 -0.537 4.054 1.00 0.00 O ATOM 0 H GLY A 109 -5.976 -1.553 4.921 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -6.745 1.053 4.812 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -5.646 1.018 6.177 1.00 0.00 H new ATOM 1686 N VAL A 110 -4.371 1.643 3.760 1.00 0.00 N ATOM 1687 CA VAL A 110 -3.204 1.790 2.872 1.00 0.00 C ATOM 1688 C VAL A 110 -2.011 2.380 3.609 1.00 0.00 C ATOM 1689 O VAL A 110 -2.201 3.187 4.501 1.00 0.00 O ATOM 1690 CB VAL A 110 -3.554 2.715 1.704 1.00 0.00 C ATOM 1691 CG1 VAL A 110 -2.637 2.514 0.503 1.00 0.00 C ATOM 1692 CG2 VAL A 110 -4.968 2.515 1.195 1.00 0.00 C ATOM 0 H VAL A 110 -4.876 2.515 3.917 1.00 0.00 H new ATOM 0 HA VAL A 110 -2.941 0.796 2.511 1.00 0.00 H new ATOM 0 HB VAL A 110 -3.436 3.716 2.119 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -2.930 3.195 -0.296 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -1.606 2.718 0.794 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -2.718 1.486 0.151 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -5.157 3.199 0.367 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -5.089 1.488 0.852 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -5.676 2.715 1.999 1.00 0.00 H new ATOM 1702 N MET A 111 -0.785 2.011 3.249 1.00 0.00 N ATOM 1703 CA MET A 111 0.442 2.524 3.869 1.00 0.00 C ATOM 1704 C MET A 111 1.324 3.154 2.813 1.00 0.00 C ATOM 1705 O MET A 111 1.151 2.891 1.625 1.00 0.00 O ATOM 1706 CB MET A 111 1.224 1.420 4.608 1.00 0.00 C ATOM 1707 CG MET A 111 1.533 0.215 3.703 1.00 0.00 C ATOM 1708 SD MET A 111 2.289 -1.215 4.522 1.00 0.00 S ATOM 1709 CE MET A 111 2.562 -2.332 3.120 1.00 0.00 C ATOM 0 H MET A 111 -0.609 1.335 2.505 1.00 0.00 H new ATOM 0 HA MET A 111 0.150 3.271 4.607 1.00 0.00 H new ATOM 0 HB2 MET A 111 2.158 1.833 4.990 1.00 0.00 H new ATOM 0 HB3 MET A 111 0.647 1.085 5.470 1.00 0.00 H new ATOM 0 HG2 MET A 111 0.605 -0.109 3.232 1.00 0.00 H new ATOM 0 HG3 MET A 111 2.197 0.545 2.904 1.00 0.00 H new ATOM 0 HE1 MET A 111 1.971 -3.238 3.256 1.00 0.00 H new ATOM 0 HE2 MET A 111 2.260 -1.837 2.197 1.00 0.00 H new ATOM 0 HE3 MET A 111 3.619 -2.593 3.063 1.00 0.00 H new ATOM 1719 N THR A 112 2.315 3.923 3.234 1.00 0.00 N ATOM 1720 CA THR A 112 3.289 4.569 2.380 1.00 0.00 C ATOM 1721 C THR A 112 4.656 4.637 3.026 1.00 0.00 C ATOM 1722 O THR A 112 4.809 4.631 4.237 1.00 0.00 O ATOM 1723 CB THR A 112 2.833 5.981 2.043 1.00 0.00 C ATOM 1724 OG1 THR A 112 3.597 6.402 0.933 1.00 0.00 O ATOM 1725 CG2 THR A 112 2.948 6.980 3.188 1.00 0.00 C ATOM 0 H THR A 112 2.466 4.120 4.223 1.00 0.00 H new ATOM 0 HA THR A 112 3.368 3.969 1.474 1.00 0.00 H new ATOM 0 HB THR A 112 1.765 5.951 1.826 1.00 0.00 H new ATOM 0 HG1 THR A 112 3.333 7.311 0.680 1.00 0.00 H new ATOM 0 HG21 THR A 112 2.600 7.958 2.854 1.00 0.00 H new ATOM 0 HG22 THR A 112 2.337 6.645 4.026 1.00 0.00 H new ATOM 0 HG23 THR A 112 3.989 7.053 3.504 1.00 0.00 H new ATOM 1733 N HIS A 113 5.686 4.730 2.198 1.00 0.00 N ATOM 1734 CA HIS A 113 7.041 4.888 2.697 1.00 0.00 C ATOM 1735 C HIS A 113 7.295 6.307 3.205 1.00 0.00 C ATOM 1736 O HIS A 113 6.974 7.274 2.519 1.00 0.00 O ATOM 1737 CB HIS A 113 8.038 4.600 1.595 1.00 0.00 C ATOM 1738 CG HIS A 113 7.801 3.289 0.906 1.00 0.00 C ATOM 1739 ND1 HIS A 113 8.265 2.990 -0.342 1.00 0.00 N ATOM 1740 CD2 HIS A 113 7.090 2.220 1.351 1.00 0.00 C ATOM 1741 CE1 HIS A 113 7.909 1.736 -0.657 1.00 0.00 C ATOM 1742 NE2 HIS A 113 7.130 1.290 0.337 1.00 0.00 N ATOM 0 H HIS A 113 5.609 4.699 1.181 1.00 0.00 H new ATOM 0 HA HIS A 113 7.162 4.186 3.522 1.00 0.00 H new ATOM 0 HB2 HIS A 113 7.996 5.402 0.858 1.00 0.00 H new ATOM 0 HB3 HIS A 113 9.044 4.605 2.015 1.00 0.00 H new ATOM 0 HD2 HIS A 113 6.595 2.120 2.305 1.00 0.00 H new ATOM 0 HE1 HIS A 113 8.196 1.190 -1.543 1.00 0.00 H new ATOM 0 HE2 HIS A 113 6.640 0.395 0.342 1.00 0.00 H new ATOM 1751 N SER A 114 8.074 6.418 4.273 1.00 0.00 N ATOM 1752 CA SER A 114 8.531 7.713 4.818 1.00 0.00 C ATOM 1753 C SER A 114 9.817 8.266 4.227 1.00 0.00 C ATOM 1754 O SER A 114 10.449 9.136 4.824 1.00 0.00 O ATOM 1755 CB SER A 114 8.659 7.599 6.327 1.00 0.00 C ATOM 1756 OG SER A 114 7.322 7.626 6.699 1.00 0.00 O ATOM 0 H SER A 114 8.415 5.612 4.797 1.00 0.00 H new ATOM 0 HA SER A 114 7.768 8.435 4.528 1.00 0.00 H new ATOM 0 HB2 SER A 114 9.155 6.678 6.632 1.00 0.00 H new ATOM 0 HB3 SER A 114 9.226 8.424 6.758 1.00 0.00 H new ATOM 0 HG SER A 114 7.082 8.530 6.993 1.00 0.00 H new ATOM 1762 N LYS A 115 10.255 7.749 3.076 1.00 0.00 N ATOM 1763 CA LYS A 115 11.498 8.192 2.449 1.00 0.00 C ATOM 1764 C LYS A 115 11.384 8.339 0.934 1.00 0.00 C ATOM 1765 O LYS A 115 11.885 7.496 0.184 1.00 0.00 O ATOM 1766 CB LYS A 115 12.606 7.232 2.875 1.00 0.00 C ATOM 1767 CG LYS A 115 13.966 7.931 2.751 1.00 0.00 C ATOM 1768 CD LYS A 115 14.228 8.889 3.917 1.00 0.00 C ATOM 1769 CE LYS A 115 14.770 8.099 5.115 1.00 0.00 C ATOM 1770 NZ LYS A 115 14.941 8.962 6.303 1.00 0.00 N ATOM 0 H LYS A 115 9.763 7.020 2.559 1.00 0.00 H new ATOM 0 HA LYS A 115 11.739 9.198 2.791 1.00 0.00 H new ATOM 0 HB2 LYS A 115 12.445 6.907 3.903 1.00 0.00 H new ATOM 0 HB3 LYS A 115 12.587 6.338 2.252 1.00 0.00 H new ATOM 0 HG2 LYS A 115 14.757 7.182 2.713 1.00 0.00 H new ATOM 0 HG3 LYS A 115 14.005 8.483 1.812 1.00 0.00 H new ATOM 0 HD2 LYS A 115 14.944 9.655 3.619 1.00 0.00 H new ATOM 0 HD3 LYS A 115 13.308 9.403 4.193 1.00 0.00 H new ATOM 0 HE2 LYS A 115 14.087 7.283 5.352 1.00 0.00 H new ATOM 0 HE3 LYS A 115 15.727 7.648 4.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 15.309 8.395 7.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 15.611 9.726 6.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 14.023 9.373 6.569 1.00 0.00 H new ATOM 1784 N VAL A 116 10.690 9.384 0.502 1.00 0.00 N ATOM 1785 CA VAL A 116 10.303 9.595 -0.887 1.00 0.00 C ATOM 1786 C VAL A 116 10.753 10.968 -1.387 1.00 0.00 C ATOM 1787 O VAL A 116 9.933 11.768 -1.796 1.00 0.00 O ATOM 1788 CB VAL A 116 8.795 9.328 -1.103 1.00 0.00 C ATOM 1789 CG1 VAL A 116 8.462 7.862 -0.799 1.00 0.00 C ATOM 1790 CG2 VAL A 116 7.800 10.150 -0.277 1.00 0.00 C ATOM 0 H VAL A 116 10.372 10.127 1.124 1.00 0.00 H new ATOM 0 HA VAL A 116 10.827 8.862 -1.501 1.00 0.00 H new ATOM 0 HB VAL A 116 8.666 9.621 -2.145 1.00 0.00 H new ATOM 0 HG11 VAL A 116 7.397 7.691 -0.956 1.00 0.00 H new ATOM 0 HG12 VAL A 116 9.035 7.214 -1.462 1.00 0.00 H new ATOM 0 HG13 VAL A 116 8.717 7.638 0.237 1.00 0.00 H new ATOM 0 HG21 VAL A 116 6.783 9.855 -0.534 1.00 0.00 H new ATOM 0 HG22 VAL A 116 7.973 9.971 0.784 1.00 0.00 H new ATOM 0 HG23 VAL A 116 7.936 11.210 -0.493 1.00 0.00 H new ATOM 1800 N ASP A 117 12.058 11.244 -1.364 1.00 0.00 N ATOM 1801 CA ASP A 117 12.572 12.596 -1.583 1.00 0.00 C ATOM 1802 C ASP A 117 12.885 12.768 -3.084 1.00 0.00 C ATOM 1803 O ASP A 117 12.074 13.260 -3.863 1.00 0.00 O ATOM 1804 CB ASP A 117 13.787 12.872 -0.661 1.00 0.00 C ATOM 1805 CG ASP A 117 13.615 12.604 0.855 1.00 0.00 C ATOM 1806 OD1 ASP A 117 12.788 11.755 1.275 1.00 0.00 O ATOM 1807 OD2 ASP A 117 14.490 13.098 1.600 1.00 0.00 O ATOM 0 H ASP A 117 12.781 10.545 -1.195 1.00 0.00 H new ATOM 0 HA ASP A 117 11.825 13.343 -1.314 1.00 0.00 H new ATOM 0 HB2 ASP A 117 14.622 12.268 -1.016 1.00 0.00 H new ATOM 0 HB3 ASP A 117 14.073 13.916 -0.787 1.00 0.00 H new ATOM 1812 N LYS A 118 14.041 12.260 -3.531 1.00 0.00 N ATOM 1813 CA LYS A 118 14.460 12.209 -4.948 1.00 0.00 C ATOM 1814 C LYS A 118 13.745 11.125 -5.777 1.00 0.00 C ATOM 1815 O LYS A 118 13.802 11.138 -7.001 1.00 0.00 O ATOM 1816 CB LYS A 118 15.996 12.071 -4.991 1.00 0.00 C ATOM 1817 CG LYS A 118 16.506 10.639 -4.762 1.00 0.00 C ATOM 1818 CD LYS A 118 17.893 10.632 -4.113 1.00 0.00 C ATOM 1819 CE LYS A 118 18.329 9.189 -3.852 1.00 0.00 C ATOM 1820 NZ LYS A 118 19.636 9.159 -3.155 1.00 0.00 N ATOM 0 H LYS A 118 14.736 11.859 -2.901 1.00 0.00 H new ATOM 0 HA LYS A 118 14.156 13.139 -5.429 1.00 0.00 H new ATOM 0 HB2 LYS A 118 16.354 12.422 -5.959 1.00 0.00 H new ATOM 0 HB3 LYS A 118 16.430 12.725 -4.234 1.00 0.00 H new ATOM 0 HG2 LYS A 118 15.804 10.099 -4.127 1.00 0.00 H new ATOM 0 HG3 LYS A 118 16.546 10.110 -5.714 1.00 0.00 H new ATOM 0 HD2 LYS A 118 18.613 11.128 -4.764 1.00 0.00 H new ATOM 0 HD3 LYS A 118 17.871 11.191 -3.177 1.00 0.00 H new ATOM 0 HE2 LYS A 118 17.577 8.679 -3.249 1.00 0.00 H new ATOM 0 HE3 LYS A 118 18.401 8.648 -4.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 19.917 8.172 -2.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 20.354 9.627 -3.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 19.556 9.657 -2.245 1.00 0.00 H new ATOM 1834 N ASN A 119 13.114 10.148 -5.120 1.00 0.00 N ATOM 1835 CA ASN A 119 12.433 8.993 -5.703 1.00 0.00 C ATOM 1836 C ASN A 119 11.435 8.438 -4.692 1.00 0.00 C ATOM 1837 O ASN A 119 11.778 8.205 -3.536 1.00 0.00 O ATOM 1838 CB ASN A 119 13.416 7.854 -6.047 1.00 0.00 C ATOM 1839 CG ASN A 119 14.319 8.149 -7.217 1.00 0.00 C ATOM 1840 OD1 ASN A 119 15.526 8.232 -7.085 1.00 0.00 O ATOM 1841 ND2 ASN A 119 13.752 8.257 -8.392 1.00 0.00 N ATOM 0 H ASN A 119 13.063 10.144 -4.101 1.00 0.00 H new ATOM 0 HA ASN A 119 11.945 9.333 -6.616 1.00 0.00 H new ATOM 0 HB2 ASN A 119 14.031 7.643 -5.172 1.00 0.00 H new ATOM 0 HB3 ASN A 119 12.846 6.950 -6.261 1.00 0.00 H new ATOM 0 HD21 ASN A 119 14.324 8.414 -9.222 1.00 0.00 H new ATOM 0 HD22 ASN A 119 12.738 8.184 -8.478 1.00 0.00 H new ATOM 1848 N ASN A 120 10.243 8.101 -5.171 1.00 0.00 N ATOM 1849 CA ASN A 120 9.164 7.461 -4.420 1.00 0.00 C ATOM 1850 C ASN A 120 9.485 5.980 -4.091 1.00 0.00 C ATOM 1851 O ASN A 120 8.812 5.045 -4.533 1.00 0.00 O ATOM 1852 CB ASN A 120 7.823 7.630 -5.165 1.00 0.00 C ATOM 1853 CG ASN A 120 7.558 8.995 -5.761 1.00 0.00 C ATOM 1854 OD1 ASN A 120 7.775 10.023 -5.162 1.00 0.00 O ATOM 1855 ND2 ASN A 120 7.050 9.047 -6.968 1.00 0.00 N ATOM 0 H ASN A 120 9.988 8.275 -6.143 1.00 0.00 H new ATOM 0 HA ASN A 120 9.071 7.962 -3.457 1.00 0.00 H new ATOM 0 HB2 ASN A 120 7.781 6.892 -5.966 1.00 0.00 H new ATOM 0 HB3 ASN A 120 7.014 7.395 -4.473 1.00 0.00 H new ATOM 0 HD21 ASN A 120 6.841 9.949 -7.395 1.00 0.00 H new ATOM 0 HD22 ASN A 120 6.864 8.185 -7.481 1.00 0.00 H new ATOM 1862 N GLN A 121 10.535 5.734 -3.310 1.00 0.00 N ATOM 1863 CA GLN A 121 10.989 4.399 -2.900 1.00 0.00 C ATOM 1864 C GLN A 121 10.813 4.149 -1.398 1.00 0.00 C ATOM 1865 O GLN A 121 10.301 4.994 -0.673 1.00 0.00 O ATOM 1866 CB GLN A 121 12.418 4.151 -3.418 1.00 0.00 C ATOM 1867 CG GLN A 121 12.629 2.679 -3.817 1.00 0.00 C ATOM 1868 CD GLN A 121 12.232 2.383 -5.259 1.00 0.00 C ATOM 1869 OE1 GLN A 121 12.830 1.572 -5.930 1.00 0.00 O ATOM 1870 NE2 GLN A 121 11.194 2.976 -5.796 1.00 0.00 N ATOM 0 H GLN A 121 11.116 6.482 -2.930 1.00 0.00 H new ATOM 0 HA GLN A 121 10.346 3.652 -3.365 1.00 0.00 H new ATOM 0 HB2 GLN A 121 12.610 4.793 -4.278 1.00 0.00 H new ATOM 0 HB3 GLN A 121 13.138 4.426 -2.647 1.00 0.00 H new ATOM 0 HG2 GLN A 121 13.678 2.418 -3.675 1.00 0.00 H new ATOM 0 HG3 GLN A 121 12.049 2.042 -3.149 1.00 0.00 H new ATOM 0 HE21 GLN A 121 10.666 3.665 -5.260 1.00 0.00 H new ATOM 0 HE22 GLN A 121 10.914 2.749 -6.750 1.00 0.00 H new ATOM 1879 N GLY A 122 11.053 2.919 -0.934 1.00 0.00 N ATOM 1880 CA GLY A 122 11.025 2.573 0.490 1.00 0.00 C ATOM 1881 C GLY A 122 12.433 2.470 1.023 1.00 0.00 C ATOM 1882 O GLY A 122 13.329 1.979 0.332 1.00 0.00 O ATOM 0 H GLY A 122 11.274 2.129 -1.541 1.00 0.00 H new ATOM 0 HA2 GLY A 122 10.471 3.330 1.046 1.00 0.00 H new ATOM 0 HA3 GLY A 122 10.503 1.627 0.633 1.00 0.00 H new ATOM 1886 N LYS A 123 12.617 3.011 2.227 1.00 0.00 N ATOM 1887 CA LYS A 123 13.902 3.010 2.930 1.00 0.00 C ATOM 1888 C LYS A 123 13.743 2.662 4.408 1.00 0.00 C ATOM 1889 O LYS A 123 14.317 1.679 4.837 1.00 0.00 O ATOM 1890 CB LYS A 123 14.626 4.352 2.756 1.00 0.00 C ATOM 1891 CG LYS A 123 14.959 4.706 1.293 1.00 0.00 C ATOM 1892 CD LYS A 123 16.323 4.108 0.938 1.00 0.00 C ATOM 1893 CE LYS A 123 16.448 3.864 -0.566 1.00 0.00 C ATOM 1894 NZ LYS A 123 17.412 2.767 -0.844 1.00 0.00 N ATOM 0 H LYS A 123 11.869 3.468 2.749 1.00 0.00 H new ATOM 0 HA LYS A 123 14.516 2.231 2.479 1.00 0.00 H new ATOM 0 HB2 LYS A 123 14.006 5.144 3.177 1.00 0.00 H new ATOM 0 HB3 LYS A 123 15.551 4.330 3.332 1.00 0.00 H new ATOM 0 HG2 LYS A 123 14.191 4.315 0.626 1.00 0.00 H new ATOM 0 HG3 LYS A 123 14.975 5.788 1.161 1.00 0.00 H new ATOM 0 HD2 LYS A 123 17.114 4.782 1.266 1.00 0.00 H new ATOM 0 HD3 LYS A 123 16.461 3.169 1.474 1.00 0.00 H new ATOM 0 HE2 LYS A 123 15.472 3.610 -0.980 1.00 0.00 H new ATOM 0 HE3 LYS A 123 16.777 4.778 -1.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 17.482 2.618 -1.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 18.347 3.023 -0.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 17.083 1.892 -0.389 1.00 0.00 H new ATOM 1908 N GLU A 124 12.990 3.490 5.135 1.00 0.00 N ATOM 1909 CA GLU A 124 12.663 3.302 6.554 1.00 0.00 C ATOM 1910 C GLU A 124 11.623 2.175 6.722 1.00 0.00 C ATOM 1911 O GLU A 124 11.979 1.021 6.921 1.00 0.00 O ATOM 1912 CB GLU A 124 12.195 4.654 7.138 1.00 0.00 C ATOM 1913 CG GLU A 124 13.347 5.563 7.585 1.00 0.00 C ATOM 1914 CD GLU A 124 14.245 4.961 8.670 1.00 0.00 C ATOM 1915 OE1 GLU A 124 13.689 4.365 9.614 1.00 0.00 O ATOM 1916 OE2 GLU A 124 15.470 5.165 8.518 1.00 0.00 O ATOM 0 H GLU A 124 12.577 4.336 4.743 1.00 0.00 H new ATOM 0 HA GLU A 124 13.543 2.984 7.113 1.00 0.00 H new ATOM 0 HB2 GLU A 124 11.600 5.177 6.389 1.00 0.00 H new ATOM 0 HB3 GLU A 124 11.541 4.465 7.989 1.00 0.00 H new ATOM 0 HG2 GLU A 124 13.960 5.806 6.717 1.00 0.00 H new ATOM 0 HG3 GLU A 124 12.931 6.501 7.954 1.00 0.00 H new ATOM 1923 N PHE A 125 10.335 2.492 6.586 1.00 0.00 N ATOM 1924 CA PHE A 125 9.199 1.595 6.782 1.00 0.00 C ATOM 1925 C PHE A 125 7.970 2.168 6.063 1.00 0.00 C ATOM 1926 O PHE A 125 8.071 3.162 5.332 1.00 0.00 O ATOM 1927 CB PHE A 125 8.969 1.388 8.294 1.00 0.00 C ATOM 1928 CG PHE A 125 9.054 2.642 9.151 1.00 0.00 C ATOM 1929 CD1 PHE A 125 10.295 3.047 9.680 1.00 0.00 C ATOM 1930 CD2 PHE A 125 7.910 3.416 9.416 1.00 0.00 C ATOM 1931 CE1 PHE A 125 10.410 4.251 10.393 1.00 0.00 C ATOM 1932 CE2 PHE A 125 8.021 4.582 10.196 1.00 0.00 C ATOM 1933 CZ PHE A 125 9.271 5.028 10.646 1.00 0.00 C ATOM 0 H PHE A 125 10.042 3.433 6.322 1.00 0.00 H new ATOM 0 HA PHE A 125 9.397 0.615 6.349 1.00 0.00 H new ATOM 0 HB2 PHE A 125 7.986 0.939 8.435 1.00 0.00 H new ATOM 0 HB3 PHE A 125 9.703 0.670 8.660 1.00 0.00 H new ATOM 0 HD1 PHE A 125 11.166 2.425 9.536 1.00 0.00 H new ATOM 0 HD2 PHE A 125 6.950 3.117 9.022 1.00 0.00 H new ATOM 0 HE1 PHE A 125 11.376 4.579 10.747 1.00 0.00 H new ATOM 0 HE2 PHE A 125 7.132 5.140 10.451 1.00 0.00 H new ATOM 0 HZ PHE A 125 9.356 5.961 11.183 1.00 0.00 H new ATOM 1943 N PHE A 126 6.829 1.506 6.224 1.00 0.00 N ATOM 1944 CA PHE A 126 5.569 1.793 5.559 1.00 0.00 C ATOM 1945 C PHE A 126 4.579 2.408 6.564 1.00 0.00 C ATOM 1946 O PHE A 126 3.740 1.734 7.145 1.00 0.00 O ATOM 1947 CB PHE A 126 5.035 0.506 4.918 1.00 0.00 C ATOM 1948 CG PHE A 126 5.823 -0.105 3.769 1.00 0.00 C ATOM 1949 CD1 PHE A 126 7.172 -0.481 3.909 1.00 0.00 C ATOM 1950 CD2 PHE A 126 5.188 -0.345 2.539 1.00 0.00 C ATOM 1951 CE1 PHE A 126 7.893 -0.994 2.820 1.00 0.00 C ATOM 1952 CE2 PHE A 126 5.875 -0.987 1.500 1.00 0.00 C ATOM 1953 CZ PHE A 126 7.235 -1.310 1.625 1.00 0.00 C ATOM 0 H PHE A 126 6.758 0.711 6.858 1.00 0.00 H new ATOM 0 HA PHE A 126 5.712 2.524 4.764 1.00 0.00 H new ATOM 0 HB2 PHE A 126 4.952 -0.247 5.702 1.00 0.00 H new ATOM 0 HB3 PHE A 126 4.025 0.706 4.560 1.00 0.00 H new ATOM 0 HD1 PHE A 126 7.659 -0.373 4.867 1.00 0.00 H new ATOM 0 HD2 PHE A 126 4.164 -0.033 2.393 1.00 0.00 H new ATOM 0 HE1 PHE A 126 8.959 -1.146 2.904 1.00 0.00 H new ATOM 0 HE2 PHE A 126 5.350 -1.237 0.590 1.00 0.00 H new ATOM 0 HZ PHE A 126 7.763 -1.792 0.816 1.00 0.00 H new ATOM 1963 N GLU A 127 4.653 3.709 6.796 1.00 0.00 N ATOM 1964 CA GLU A 127 3.658 4.420 7.588 1.00 0.00 C ATOM 1965 C GLU A 127 2.270 4.275 6.982 1.00 0.00 C ATOM 1966 O GLU A 127 2.021 4.681 5.847 1.00 0.00 O ATOM 1967 CB GLU A 127 4.018 5.898 7.737 1.00 0.00 C ATOM 1968 CG GLU A 127 5.387 5.984 8.398 1.00 0.00 C ATOM 1969 CD GLU A 127 5.608 7.338 9.080 1.00 0.00 C ATOM 1970 OE1 GLU A 127 5.247 8.375 8.475 1.00 0.00 O ATOM 1971 OE2 GLU A 127 6.149 7.308 10.209 1.00 0.00 O ATOM 0 H GLU A 127 5.403 4.303 6.442 1.00 0.00 H new ATOM 0 HA GLU A 127 3.651 3.969 8.580 1.00 0.00 H new ATOM 0 HB2 GLU A 127 4.034 6.387 6.763 1.00 0.00 H new ATOM 0 HB3 GLU A 127 3.271 6.413 8.340 1.00 0.00 H new ATOM 0 HG2 GLU A 127 5.485 5.186 9.134 1.00 0.00 H new ATOM 0 HG3 GLU A 127 6.163 5.824 7.649 1.00 0.00 H new ATOM 1978 N LYS A 128 1.361 3.664 7.740 1.00 0.00 N ATOM 1979 CA LYS A 128 -0.074 3.658 7.448 1.00 0.00 C ATOM 1980 C LYS A 128 -0.585 5.074 7.117 1.00 0.00 C ATOM 1981 O LYS A 128 -0.081 6.058 7.646 1.00 0.00 O ATOM 1982 CB LYS A 128 -0.820 2.976 8.603 1.00 0.00 C ATOM 1983 CG LYS A 128 -0.593 3.548 10.014 1.00 0.00 C ATOM 1984 CD LYS A 128 -1.487 4.762 10.290 1.00 0.00 C ATOM 1985 CE LYS A 128 -1.738 4.964 11.781 1.00 0.00 C ATOM 1986 NZ LYS A 128 -2.935 5.811 11.957 1.00 0.00 N ATOM 0 H LYS A 128 1.603 3.151 8.588 1.00 0.00 H new ATOM 0 HA LYS A 128 -0.272 3.074 6.549 1.00 0.00 H new ATOM 0 HB2 LYS A 128 -1.888 3.017 8.388 1.00 0.00 H new ATOM 0 HB3 LYS A 128 -0.538 1.923 8.614 1.00 0.00 H new ATOM 0 HG2 LYS A 128 -0.792 2.774 10.756 1.00 0.00 H new ATOM 0 HG3 LYS A 128 0.453 3.835 10.126 1.00 0.00 H new ATOM 0 HD2 LYS A 128 -1.020 5.656 9.877 1.00 0.00 H new ATOM 0 HD3 LYS A 128 -2.440 4.634 9.777 1.00 0.00 H new ATOM 0 HE2 LYS A 128 -1.882 4.002 12.272 1.00 0.00 H new ATOM 0 HE3 LYS A 128 -0.872 5.434 12.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 -3.084 5.996 12.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 -2.799 6.713 11.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 -3.767 5.322 11.569 1.00 0.00 H new ATOM 2000 N CYS A 129 -1.575 5.159 6.239 1.00 0.00 N ATOM 2001 CA CYS A 129 -2.334 6.367 5.925 1.00 0.00 C ATOM 2002 C CYS A 129 -3.325 6.711 7.035 1.00 0.00 C ATOM 2003 O CYS A 129 -3.679 5.866 7.861 1.00 0.00 O ATOM 2004 CB CYS A 129 -3.123 6.180 4.615 1.00 0.00 C ATOM 2005 SG CYS A 129 -2.280 6.475 3.047 1.00 0.00 S ATOM 0 H CYS A 129 -1.887 4.351 5.700 1.00 0.00 H new ATOM 0 HA CYS A 129 -1.614 7.179 5.822 1.00 0.00 H new ATOM 0 HB2 CYS A 129 -3.501 5.158 4.600 1.00 0.00 H new ATOM 0 HB3 CYS A 129 -3.990 6.840 4.654 1.00 0.00 H new ATOM 2010 N ASP A 130 -3.834 7.936 6.952 1.00 0.00 N ATOM 2011 CA ASP A 130 -4.793 8.567 7.853 1.00 0.00 C ATOM 2012 C ASP A 130 -5.643 9.591 7.064 1.00 0.00 C ATOM 2013 O ASP A 130 -5.210 9.993 5.952 1.00 0.00 O ATOM 2014 CB ASP A 130 -3.995 9.221 9.008 1.00 0.00 C ATOM 2015 CG ASP A 130 -3.442 8.262 10.088 1.00 0.00 C ATOM 2016 OD1 ASP A 130 -4.188 7.886 11.026 1.00 0.00 O ATOM 2017 OD2 ASP A 130 -2.242 7.905 10.112 1.00 0.00 O ATOM 2018 OXT ASP A 130 -6.756 9.911 7.528 1.00 0.00 O ATOM 0 H ASP A 130 -3.566 8.563 6.193 1.00 0.00 H new ATOM 0 HA ASP A 130 -5.487 7.841 8.278 1.00 0.00 H new ATOM 0 HB2 ASP A 130 -3.158 9.770 8.577 1.00 0.00 H new ATOM 0 HB3 ASP A 130 -4.638 9.952 9.497 1.00 0.00 H new TER 2023 ASP A 130