USER MOD reduce.3.24.130724 H: found=0, std=0, add=735, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 733 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 NoAdj-H: A 10 HIS HD1 : A 10 HIS ND1 : A 101 ZNZN :(H bumps) USER MOD NoAdj-H: A 60 HIS HD1 : A 60 HIS ND1 : A 102 ZNZN :(H bumps) USER MOD NoAdj-H: A 64 HIS HE2 : A 64 HIS NE2 : A 103 ZNZN :(H bumps) USER MOD NoAdj-H: A 70 HIS HD1 : A 70 HIS ND1 : A 103 ZNZN :(H bumps) USER MOD Set 1.1: A 75 ASN : amide:sc= -4.06! C(o=-9.1!,f=-16!) USER MOD Set 1.2: A 77 THR OG1 : rot 84:sc= -5.07! USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -163:sc= 0 (180deg=-0.222) USER MOD Single : A 4 SER OG : rot 180:sc= -0.382 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.377 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 152:sc= -3.11! (180deg=-5.49!) USER MOD Single : A 26 SER OG : rot -51:sc= -0.769 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.129 USER MOD Single : A 31 GLN : amide:sc= -5.76! C(o=-5.8!,f=-8.6!) USER MOD Single : A 32 SER OG : rot 160:sc= -0.594 USER MOD Single : A 36 THR OG1 : rot -91:sc= -0.827! USER MOD Single : A 39 ASN : amide:sc= -0.222 X(o=-0.22,f=-0.089) USER MOD Single : A 45 GLN : amide:sc= -7.6! C(o=-7.6!,f=-7.1!) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot -140:sc= -1.96 USER MOD Single : A 61 SER OG : rot -115:sc= -0.826 USER MOD Single : A 62 THR OG1 : rot -78:sc= 0.601 USER MOD Single : A 66 GLN : amide:sc= -0.503 K(o=-0.5,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 141:sc= -0.0572 (180deg=-0.644) USER MOD Single : A 69 LYS NZ :NH3+ 155:sc= -0.122 (180deg=-1.22) USER MOD Single : A 71 ASN : amide:sc= -5.18! C(o=-5.2!,f=-3.9!) USER MOD Single : A 73 THR OG1 : rot 26:sc= 0.061 USER MOD Single : A 78 THR OG1 : rot -120:sc= -2! USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ -126:sc= -1.42 (180deg=-3.98!) USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 15.890 -7.533 1.302 1.00 0.00 N ATOM 2 CA MET A 1 16.268 -6.707 2.483 1.00 0.00 C ATOM 3 C MET A 1 16.591 -5.282 2.021 1.00 0.00 C ATOM 4 O MET A 1 16.153 -4.315 2.611 1.00 0.00 O ATOM 5 CB MET A 1 17.498 -7.326 3.164 1.00 0.00 C ATOM 6 CG MET A 1 17.109 -7.886 4.536 1.00 0.00 C ATOM 7 SD MET A 1 15.891 -9.208 4.324 1.00 0.00 S ATOM 8 CE MET A 1 15.578 -9.509 6.081 1.00 0.00 C ATOM 0 H1 MET A 1 15.401 -8.393 1.622 1.00 0.00 H new ATOM 0 H2 MET A 1 15.258 -6.986 0.683 1.00 0.00 H new ATOM 0 H3 MET A 1 16.747 -7.798 0.775 1.00 0.00 H new ATOM 0 HA MET A 1 15.441 -6.677 3.193 1.00 0.00 H new ATOM 0 HB2 MET A 1 17.908 -8.120 2.540 1.00 0.00 H new ATOM 0 HB3 MET A 1 18.279 -6.574 3.277 1.00 0.00 H new ATOM 0 HG2 MET A 1 17.992 -8.269 5.048 1.00 0.00 H new ATOM 0 HG3 MET A 1 16.697 -7.094 5.161 1.00 0.00 H new ATOM 0 HE1 MET A 1 14.841 -10.304 6.188 1.00 0.00 H new ATOM 0 HE2 MET A 1 16.506 -9.806 6.570 1.00 0.00 H new ATOM 0 HE3 MET A 1 15.199 -8.598 6.544 1.00 0.00 H new ATOM 18 N GLY A 2 17.354 -5.147 0.972 1.00 0.00 N ATOM 19 CA GLY A 2 17.706 -3.787 0.476 1.00 0.00 C ATOM 20 C GLY A 2 18.745 -3.158 1.406 1.00 0.00 C ATOM 21 O GLY A 2 19.820 -3.690 1.602 1.00 0.00 O ATOM 0 H GLY A 2 17.749 -5.920 0.437 1.00 0.00 H new ATOM 0 HA2 GLY A 2 18.100 -3.849 -0.538 1.00 0.00 H new ATOM 0 HA3 GLY A 2 16.814 -3.162 0.434 1.00 0.00 H new ATOM 25 N ASP A 3 18.435 -2.028 1.982 1.00 0.00 N ATOM 26 CA ASP A 3 19.405 -1.368 2.900 1.00 0.00 C ATOM 27 C ASP A 3 18.722 -0.190 3.599 1.00 0.00 C ATOM 28 O ASP A 3 18.814 0.941 3.162 1.00 0.00 O ATOM 29 CB ASP A 3 20.604 -0.859 2.097 1.00 0.00 C ATOM 30 CG ASP A 3 21.638 -0.256 3.050 1.00 0.00 C ATOM 31 OD1 ASP A 3 22.422 0.563 2.600 1.00 0.00 O ATOM 32 OD2 ASP A 3 21.627 -0.622 4.213 1.00 0.00 O ATOM 0 H ASP A 3 17.552 -1.534 1.856 1.00 0.00 H new ATOM 0 HA ASP A 3 19.747 -2.086 3.645 1.00 0.00 H new ATOM 0 HB2 ASP A 3 21.049 -1.677 1.531 1.00 0.00 H new ATOM 0 HB3 ASP A 3 20.280 -0.110 1.374 1.00 0.00 H new ATOM 37 N SER A 4 18.037 -0.445 4.680 1.00 0.00 N ATOM 38 CA SER A 4 17.347 0.659 5.405 1.00 0.00 C ATOM 39 C SER A 4 16.390 0.067 6.442 1.00 0.00 C ATOM 40 O SER A 4 16.224 -1.132 6.535 1.00 0.00 O ATOM 41 CB SER A 4 16.559 1.510 4.406 1.00 0.00 C ATOM 42 OG SER A 4 15.366 1.978 5.022 1.00 0.00 O ATOM 0 H SER A 4 17.925 -1.371 5.093 1.00 0.00 H new ATOM 0 HA SER A 4 18.086 1.283 5.908 1.00 0.00 H new ATOM 0 HB2 SER A 4 17.164 2.353 4.073 1.00 0.00 H new ATOM 0 HB3 SER A 4 16.318 0.921 3.521 1.00 0.00 H new ATOM 0 HG SER A 4 14.861 2.525 4.384 1.00 0.00 H new ATOM 48 N ARG A 5 15.757 0.903 7.222 1.00 0.00 N ATOM 49 CA ARG A 5 14.803 0.399 8.255 1.00 0.00 C ATOM 50 C ARG A 5 13.373 0.667 7.781 1.00 0.00 C ATOM 51 O ARG A 5 12.469 -0.107 8.026 1.00 0.00 O ATOM 52 CB ARG A 5 15.055 1.125 9.587 1.00 0.00 C ATOM 53 CG ARG A 5 16.369 1.904 9.511 1.00 0.00 C ATOM 54 CD ARG A 5 16.664 2.545 10.867 1.00 0.00 C ATOM 55 NE ARG A 5 18.028 3.147 10.847 1.00 0.00 N ATOM 56 CZ ARG A 5 18.225 4.295 10.259 1.00 0.00 C ATOM 57 NH1 ARG A 5 19.420 4.820 10.238 1.00 0.00 N ATOM 58 NH2 ARG A 5 17.229 4.918 9.693 1.00 0.00 N ATOM 0 H ARG A 5 15.860 1.917 7.188 1.00 0.00 H new ATOM 0 HA ARG A 5 14.947 -0.671 8.402 1.00 0.00 H new ATOM 0 HB2 ARG A 5 14.231 1.805 9.803 1.00 0.00 H new ATOM 0 HB3 ARG A 5 15.096 0.404 10.403 1.00 0.00 H new ATOM 0 HG2 ARG A 5 17.183 1.237 9.228 1.00 0.00 H new ATOM 0 HG3 ARG A 5 16.304 2.672 8.741 1.00 0.00 H new ATOM 0 HD2 ARG A 5 15.920 3.311 11.089 1.00 0.00 H new ATOM 0 HD3 ARG A 5 16.597 1.797 11.657 1.00 0.00 H new ATOM 0 HE ARG A 5 18.807 2.662 11.293 1.00 0.00 H new ATOM 0 HH11 ARG A 5 20.199 4.333 10.681 1.00 0.00 H new ATOM 0 HH12 ARG A 5 19.575 5.717 9.779 1.00 0.00 H new ATOM 0 HH21 ARG A 5 16.295 4.508 9.710 1.00 0.00 H new ATOM 0 HH22 ARG A 5 17.384 5.815 9.234 1.00 0.00 H new ATOM 72 N ASP A 6 13.167 1.761 7.102 1.00 0.00 N ATOM 73 CA ASP A 6 11.801 2.091 6.605 1.00 0.00 C ATOM 74 C ASP A 6 11.514 1.279 5.337 1.00 0.00 C ATOM 75 O ASP A 6 10.380 0.968 5.029 1.00 0.00 O ATOM 76 CB ASP A 6 11.731 3.591 6.287 1.00 0.00 C ATOM 77 CG ASP A 6 10.378 4.156 6.729 1.00 0.00 C ATOM 78 OD1 ASP A 6 10.319 5.341 7.012 1.00 0.00 O ATOM 79 OD2 ASP A 6 9.428 3.394 6.777 1.00 0.00 O ATOM 0 H ASP A 6 13.888 2.443 6.869 1.00 0.00 H new ATOM 0 HA ASP A 6 11.060 1.846 7.365 1.00 0.00 H new ATOM 0 HB2 ASP A 6 12.538 4.117 6.796 1.00 0.00 H new ATOM 0 HB3 ASP A 6 11.870 3.752 5.218 1.00 0.00 H new ATOM 84 N LEU A 7 12.534 0.941 4.597 1.00 0.00 N ATOM 85 CA LEU A 7 12.322 0.158 3.347 1.00 0.00 C ATOM 86 C LEU A 7 11.987 -1.297 3.704 1.00 0.00 C ATOM 87 O LEU A 7 12.293 -1.766 4.782 1.00 0.00 O ATOM 88 CB LEU A 7 13.593 0.259 2.468 1.00 0.00 C ATOM 89 CG LEU A 7 14.517 -0.973 2.600 1.00 0.00 C ATOM 90 CD1 LEU A 7 14.782 -1.312 4.077 1.00 0.00 C ATOM 91 CD2 LEU A 7 13.905 -2.187 1.874 1.00 0.00 C ATOM 0 H LEU A 7 13.505 1.173 4.804 1.00 0.00 H new ATOM 0 HA LEU A 7 11.483 0.560 2.779 1.00 0.00 H new ATOM 0 HB2 LEU A 7 13.299 0.376 1.425 1.00 0.00 H new ATOM 0 HB3 LEU A 7 14.149 1.155 2.744 1.00 0.00 H new ATOM 0 HG LEU A 7 15.471 -0.728 2.132 1.00 0.00 H new ATOM 0 HD11 LEU A 7 15.435 -2.183 4.139 1.00 0.00 H new ATOM 0 HD12 LEU A 7 15.262 -0.463 4.565 1.00 0.00 H new ATOM 0 HD13 LEU A 7 13.837 -1.530 4.575 1.00 0.00 H new ATOM 0 HD21 LEU A 7 14.569 -3.045 1.977 1.00 0.00 H new ATOM 0 HD22 LEU A 7 12.936 -2.423 2.313 1.00 0.00 H new ATOM 0 HD23 LEU A 7 13.777 -1.952 0.817 1.00 0.00 H new ATOM 103 N CYS A 8 11.349 -2.009 2.808 1.00 0.00 N ATOM 104 CA CYS A 8 10.984 -3.433 3.086 1.00 0.00 C ATOM 105 C CYS A 8 11.523 -4.318 1.953 1.00 0.00 C ATOM 106 O CYS A 8 11.798 -3.850 0.868 1.00 0.00 O ATOM 107 CB CYS A 8 9.451 -3.576 3.190 1.00 0.00 C ATOM 108 SG CYS A 8 8.857 -4.845 2.026 1.00 0.00 S ATOM 0 H CYS A 8 11.064 -1.663 1.892 1.00 0.00 H new ATOM 0 HA CYS A 8 11.424 -3.746 4.033 1.00 0.00 H new ATOM 0 HB2 CYS A 8 9.172 -3.847 4.208 1.00 0.00 H new ATOM 0 HB3 CYS A 8 8.974 -2.621 2.972 1.00 0.00 H new ATOM 113 N PRO A 9 11.675 -5.588 2.211 1.00 0.00 N ATOM 114 CA PRO A 9 12.194 -6.574 1.209 1.00 0.00 C ATOM 115 C PRO A 9 11.343 -6.602 -0.064 1.00 0.00 C ATOM 116 O PRO A 9 11.832 -6.426 -1.162 1.00 0.00 O ATOM 117 CB PRO A 9 12.083 -7.921 1.944 1.00 0.00 C ATOM 118 CG PRO A 9 11.104 -7.674 3.041 1.00 0.00 C ATOM 119 CD PRO A 9 11.359 -6.243 3.483 1.00 0.00 C ATOM 0 HA PRO A 9 13.205 -6.329 0.882 1.00 0.00 H new ATOM 0 HB2 PRO A 9 11.738 -8.710 1.275 1.00 0.00 H new ATOM 0 HB3 PRO A 9 13.048 -8.238 2.339 1.00 0.00 H new ATOM 0 HG2 PRO A 9 10.080 -7.802 2.692 1.00 0.00 H new ATOM 0 HG3 PRO A 9 11.250 -8.373 3.865 1.00 0.00 H new ATOM 0 HD2 PRO A 9 10.486 -5.802 3.964 1.00 0.00 H new ATOM 0 HD3 PRO A 9 12.183 -6.175 4.194 1.00 0.00 H new ATOM 127 N HIS A 10 10.072 -6.832 0.090 1.00 0.00 N ATOM 128 CA HIS A 10 9.161 -6.886 -1.093 1.00 0.00 C ATOM 129 C HIS A 10 8.939 -5.473 -1.625 1.00 0.00 C ATOM 130 O HIS A 10 8.222 -5.260 -2.581 1.00 0.00 O ATOM 131 CB HIS A 10 7.818 -7.514 -0.690 1.00 0.00 C ATOM 132 CG HIS A 10 8.062 -8.607 0.310 1.00 0.00 C ATOM 133 ND1 HIS A 10 8.163 -8.364 1.679 1.00 0.00 N ATOM 134 CD2 HIS A 10 8.238 -9.960 0.152 1.00 0.00 C ATOM 135 CE1 HIS A 10 8.390 -9.553 2.275 1.00 0.00 C ATOM 136 NE2 HIS A 10 8.444 -10.549 1.391 1.00 0.00 N ATOM 0 H HIS A 10 9.618 -6.987 0.990 1.00 0.00 H new ATOM 0 HA HIS A 10 9.614 -7.498 -1.873 1.00 0.00 H new ATOM 0 HB2 HIS A 10 7.162 -6.755 -0.264 1.00 0.00 H new ATOM 0 HB3 HIS A 10 7.313 -7.915 -1.569 1.00 0.00 H new ATOM 0 HD2 HIS A 10 8.219 -10.485 -0.792 1.00 0.00 H new ATOM 0 HE1 HIS A 10 8.513 -9.682 3.340 1.00 0.00 H new ATOM 0 HE2 HIS A 10 8.603 -11.538 1.585 1.00 0.00 H new ATOM 144 N LEU A 11 9.558 -4.507 -1.011 1.00 0.00 N ATOM 145 CA LEU A 11 9.400 -3.103 -1.473 1.00 0.00 C ATOM 146 C LEU A 11 10.039 -2.948 -2.855 1.00 0.00 C ATOM 147 O LEU A 11 9.520 -2.270 -3.719 1.00 0.00 O ATOM 148 CB LEU A 11 10.091 -2.178 -0.470 1.00 0.00 C ATOM 149 CG LEU A 11 9.690 -0.719 -0.728 1.00 0.00 C ATOM 150 CD1 LEU A 11 10.088 0.135 0.479 1.00 0.00 C ATOM 151 CD2 LEU A 11 10.395 -0.182 -1.985 1.00 0.00 C ATOM 0 H LEU A 11 10.170 -4.630 -0.204 1.00 0.00 H new ATOM 0 HA LEU A 11 8.343 -2.845 -1.542 1.00 0.00 H new ATOM 0 HB2 LEU A 11 9.818 -2.463 0.546 1.00 0.00 H new ATOM 0 HB3 LEU A 11 11.173 -2.285 -0.551 1.00 0.00 H new ATOM 0 HG LEU A 11 8.612 -0.671 -0.881 1.00 0.00 H new ATOM 0 HD11 LEU A 11 9.805 1.172 0.300 1.00 0.00 H new ATOM 0 HD12 LEU A 11 9.577 -0.232 1.369 1.00 0.00 H new ATOM 0 HD13 LEU A 11 11.166 0.074 0.629 1.00 0.00 H new ATOM 0 HD21 LEU A 11 10.100 0.854 -2.153 1.00 0.00 H new ATOM 0 HD22 LEU A 11 11.475 -0.233 -1.846 1.00 0.00 H new ATOM 0 HD23 LEU A 11 10.111 -0.785 -2.847 1.00 0.00 H new ATOM 163 N ASP A 12 11.161 -3.574 -3.072 1.00 0.00 N ATOM 164 CA ASP A 12 11.836 -3.463 -4.396 1.00 0.00 C ATOM 165 C ASP A 12 11.113 -4.336 -5.426 1.00 0.00 C ATOM 166 O ASP A 12 11.242 -4.140 -6.618 1.00 0.00 O ATOM 167 CB ASP A 12 13.282 -3.937 -4.265 1.00 0.00 C ATOM 168 CG ASP A 12 13.981 -3.828 -5.620 1.00 0.00 C ATOM 169 OD1 ASP A 12 13.590 -4.545 -6.525 1.00 0.00 O ATOM 170 OD2 ASP A 12 14.897 -3.029 -5.730 1.00 0.00 O ATOM 0 H ASP A 12 11.641 -4.159 -2.389 1.00 0.00 H new ATOM 0 HA ASP A 12 11.812 -2.424 -4.724 1.00 0.00 H new ATOM 0 HB2 ASP A 12 13.807 -3.335 -3.524 1.00 0.00 H new ATOM 0 HB3 ASP A 12 13.307 -4.968 -3.913 1.00 0.00 H new ATOM 175 N SER A 13 10.364 -5.306 -4.979 1.00 0.00 N ATOM 176 CA SER A 13 9.648 -6.197 -5.937 1.00 0.00 C ATOM 177 C SER A 13 8.375 -5.513 -6.446 1.00 0.00 C ATOM 178 O SER A 13 7.852 -5.859 -7.488 1.00 0.00 O ATOM 179 CB SER A 13 9.274 -7.502 -5.233 1.00 0.00 C ATOM 180 OG SER A 13 8.905 -8.470 -6.207 1.00 0.00 O ATOM 0 H SER A 13 10.216 -5.521 -3.993 1.00 0.00 H new ATOM 0 HA SER A 13 10.302 -6.406 -6.783 1.00 0.00 H new ATOM 0 HB2 SER A 13 10.116 -7.865 -4.643 1.00 0.00 H new ATOM 0 HB3 SER A 13 8.449 -7.332 -4.541 1.00 0.00 H new ATOM 0 HG SER A 13 8.666 -9.309 -5.760 1.00 0.00 H new ATOM 186 N ILE A 14 7.867 -4.555 -5.723 1.00 0.00 N ATOM 187 CA ILE A 14 6.622 -3.863 -6.172 1.00 0.00 C ATOM 188 C ILE A 14 6.978 -2.661 -7.052 1.00 0.00 C ATOM 189 O ILE A 14 6.124 -2.071 -7.683 1.00 0.00 O ATOM 190 CB ILE A 14 5.855 -3.374 -4.949 1.00 0.00 C ATOM 191 CG1 ILE A 14 6.792 -2.554 -4.058 1.00 0.00 C ATOM 192 CG2 ILE A 14 5.327 -4.577 -4.162 1.00 0.00 C ATOM 193 CD1 ILE A 14 5.968 -1.659 -3.129 1.00 0.00 C ATOM 0 H ILE A 14 8.257 -4.220 -4.842 1.00 0.00 H new ATOM 0 HA ILE A 14 6.011 -4.560 -6.746 1.00 0.00 H new ATOM 0 HB ILE A 14 5.018 -2.754 -5.268 1.00 0.00 H new ATOM 0 HG12 ILE A 14 7.425 -3.219 -3.471 1.00 0.00 H new ATOM 0 HG13 ILE A 14 7.454 -1.944 -4.673 1.00 0.00 H new ATOM 0 HG21 ILE A 14 4.779 -4.227 -3.287 1.00 0.00 H new ATOM 0 HG22 ILE A 14 4.663 -5.164 -4.796 1.00 0.00 H new ATOM 0 HG23 ILE A 14 6.164 -5.198 -3.841 1.00 0.00 H new ATOM 0 HD11 ILE A 14 6.638 -1.077 -2.496 1.00 0.00 H new ATOM 0 HD12 ILE A 14 5.354 -0.984 -3.725 1.00 0.00 H new ATOM 0 HD13 ILE A 14 5.325 -2.278 -2.504 1.00 0.00 H new ATOM 205 N GLY A 15 8.226 -2.286 -7.095 1.00 0.00 N ATOM 206 CA GLY A 15 8.621 -1.116 -7.932 1.00 0.00 C ATOM 207 C GLY A 15 7.731 0.082 -7.586 1.00 0.00 C ATOM 208 O GLY A 15 6.898 0.011 -6.704 1.00 0.00 O ATOM 0 H GLY A 15 8.988 -2.737 -6.589 1.00 0.00 H new ATOM 0 HA2 GLY A 15 9.668 -0.867 -7.758 1.00 0.00 H new ATOM 0 HA3 GLY A 15 8.523 -1.362 -8.989 1.00 0.00 H new ATOM 212 N GLU A 16 7.901 1.182 -8.274 1.00 0.00 N ATOM 213 CA GLU A 16 7.064 2.387 -7.984 1.00 0.00 C ATOM 214 C GLU A 16 5.962 2.512 -9.040 1.00 0.00 C ATOM 215 O GLU A 16 6.220 2.803 -10.191 1.00 0.00 O ATOM 216 CB GLU A 16 7.950 3.642 -8.006 1.00 0.00 C ATOM 217 CG GLU A 16 7.081 4.906 -8.150 1.00 0.00 C ATOM 218 CD GLU A 16 6.892 5.254 -9.631 1.00 0.00 C ATOM 219 OE1 GLU A 16 7.599 4.693 -10.451 1.00 0.00 O ATOM 220 OE2 GLU A 16 6.042 6.080 -9.920 1.00 0.00 O ATOM 0 H GLU A 16 8.583 1.299 -9.024 1.00 0.00 H new ATOM 0 HA GLU A 16 6.607 2.285 -7.000 1.00 0.00 H new ATOM 0 HB2 GLU A 16 8.536 3.698 -7.089 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.657 3.582 -8.833 1.00 0.00 H new ATOM 0 HG2 GLU A 16 6.111 4.744 -7.680 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.552 5.741 -7.630 1.00 0.00 H new ATOM 227 N VAL A 17 4.733 2.304 -8.653 1.00 0.00 N ATOM 228 CA VAL A 17 3.613 2.424 -9.628 1.00 0.00 C ATOM 229 C VAL A 17 3.373 3.905 -9.921 1.00 0.00 C ATOM 230 O VAL A 17 4.145 4.755 -9.523 1.00 0.00 O ATOM 231 CB VAL A 17 2.346 1.804 -9.033 1.00 0.00 C ATOM 232 CG1 VAL A 17 2.409 0.281 -9.163 1.00 0.00 C ATOM 233 CG2 VAL A 17 2.241 2.184 -7.555 1.00 0.00 C ATOM 0 H VAL A 17 4.456 2.056 -7.703 1.00 0.00 H new ATOM 0 HA VAL A 17 3.865 1.901 -10.550 1.00 0.00 H new ATOM 0 HB VAL A 17 1.474 2.177 -9.570 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.506 -0.158 -8.739 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.485 0.009 -10.216 1.00 0.00 H new ATOM 0 HG13 VAL A 17 3.281 -0.094 -8.627 1.00 0.00 H new ATOM 0 HG21 VAL A 17 1.339 1.744 -7.129 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.115 1.811 -7.020 1.00 0.00 H new ATOM 0 HG23 VAL A 17 2.194 3.269 -7.461 1.00 0.00 H new ATOM 243 N THR A 18 2.314 4.231 -10.610 1.00 0.00 N ATOM 244 CA THR A 18 2.048 5.665 -10.912 1.00 0.00 C ATOM 245 C THR A 18 1.780 6.404 -9.601 1.00 0.00 C ATOM 246 O THR A 18 0.994 5.973 -8.784 1.00 0.00 O ATOM 247 CB THR A 18 0.826 5.775 -11.840 1.00 0.00 C ATOM 248 OG1 THR A 18 0.249 4.490 -12.010 1.00 0.00 O ATOM 249 CG2 THR A 18 1.256 6.323 -13.204 1.00 0.00 C ATOM 0 H THR A 18 1.626 3.572 -10.974 1.00 0.00 H new ATOM 0 HA THR A 18 2.910 6.109 -11.410 1.00 0.00 H new ATOM 0 HB THR A 18 0.096 6.451 -11.395 1.00 0.00 H new ATOM 0 HG1 THR A 18 -0.531 4.557 -12.599 1.00 0.00 H new ATOM 0 HG21 THR A 18 0.386 6.398 -13.856 1.00 0.00 H new ATOM 0 HG22 THR A 18 1.700 7.310 -13.076 1.00 0.00 H new ATOM 0 HG23 THR A 18 1.988 5.651 -13.652 1.00 0.00 H new ATOM 257 N LYS A 19 2.416 7.522 -9.400 1.00 0.00 N ATOM 258 CA LYS A 19 2.178 8.290 -8.148 1.00 0.00 C ATOM 259 C LYS A 19 0.691 8.600 -8.099 1.00 0.00 C ATOM 260 O LYS A 19 -0.005 8.230 -7.175 1.00 0.00 O ATOM 261 CB LYS A 19 3.002 9.590 -8.162 1.00 0.00 C ATOM 262 CG LYS A 19 3.946 9.596 -9.374 1.00 0.00 C ATOM 263 CD LYS A 19 5.196 10.427 -9.061 1.00 0.00 C ATOM 264 CE LYS A 19 6.253 9.535 -8.399 1.00 0.00 C ATOM 265 NZ LYS A 19 7.284 10.389 -7.744 1.00 0.00 N ATOM 0 H LYS A 19 3.088 7.937 -10.046 1.00 0.00 H new ATOM 0 HA LYS A 19 2.482 7.719 -7.271 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.337 10.452 -8.204 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.578 9.676 -7.241 1.00 0.00 H new ATOM 0 HG2 LYS A 19 4.232 8.575 -9.628 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.433 10.009 -10.243 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.595 10.862 -9.977 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.939 11.255 -8.401 1.00 0.00 H new ATOM 0 HE2 LYS A 19 5.784 8.883 -7.662 1.00 0.00 H new ATOM 0 HE3 LYS A 19 6.719 8.891 -9.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 8.001 9.784 -7.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 7.739 10.994 -8.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 6.833 10.986 -7.022 1.00 0.00 H new ATOM 279 N GLU A 20 0.197 9.246 -9.117 1.00 0.00 N ATOM 280 CA GLU A 20 -1.250 9.547 -9.182 1.00 0.00 C ATOM 281 C GLU A 20 -2.003 8.289 -8.763 1.00 0.00 C ATOM 282 O GLU A 20 -3.017 8.348 -8.105 1.00 0.00 O ATOM 283 CB GLU A 20 -1.612 9.943 -10.614 1.00 0.00 C ATOM 284 CG GLU A 20 -3.125 9.790 -10.865 1.00 0.00 C ATOM 285 CD GLU A 20 -3.370 8.698 -11.909 1.00 0.00 C ATOM 286 OE1 GLU A 20 -4.234 8.891 -12.749 1.00 0.00 O ATOM 287 OE2 GLU A 20 -2.689 7.687 -11.853 1.00 0.00 O ATOM 0 H GLU A 20 0.743 9.579 -9.912 1.00 0.00 H new ATOM 0 HA GLU A 20 -1.515 10.371 -8.520 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -1.312 10.975 -10.796 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.059 9.321 -11.318 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -3.633 9.537 -9.935 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -3.543 10.736 -11.210 1.00 0.00 H new ATOM 294 N ASP A 21 -1.496 7.142 -9.118 1.00 0.00 N ATOM 295 CA ASP A 21 -2.181 5.886 -8.709 1.00 0.00 C ATOM 296 C ASP A 21 -2.435 5.955 -7.206 1.00 0.00 C ATOM 297 O ASP A 21 -3.486 5.588 -6.723 1.00 0.00 O ATOM 298 CB ASP A 21 -1.302 4.673 -9.043 1.00 0.00 C ATOM 299 CG ASP A 21 -2.183 3.433 -9.219 1.00 0.00 C ATOM 300 OD1 ASP A 21 -3.192 3.538 -9.896 1.00 0.00 O ATOM 301 OD2 ASP A 21 -1.833 2.400 -8.672 1.00 0.00 O ATOM 0 H ASP A 21 -0.646 7.020 -9.668 1.00 0.00 H new ATOM 0 HA ASP A 21 -3.124 5.778 -9.245 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -0.736 4.862 -9.955 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -0.577 4.506 -8.246 1.00 0.00 H new ATOM 306 N LEU A 22 -1.485 6.458 -6.469 1.00 0.00 N ATOM 307 CA LEU A 22 -1.671 6.586 -4.997 1.00 0.00 C ATOM 308 C LEU A 22 -2.622 7.744 -4.734 1.00 0.00 C ATOM 309 O LEU A 22 -3.254 7.832 -3.700 1.00 0.00 O ATOM 310 CB LEU A 22 -0.326 6.868 -4.323 1.00 0.00 C ATOM 311 CG LEU A 22 0.498 5.581 -4.259 1.00 0.00 C ATOM 312 CD1 LEU A 22 0.762 5.067 -5.677 1.00 0.00 C ATOM 313 CD2 LEU A 22 1.830 5.868 -3.560 1.00 0.00 C ATOM 0 H LEU A 22 -0.586 6.786 -6.823 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.079 5.660 -4.593 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.217 7.632 -4.879 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.487 7.259 -3.318 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.052 4.824 -3.700 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.349 4.150 -5.628 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.187 4.864 -6.173 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.312 5.821 -6.241 1.00 0.00 H new ATOM 0 HD21 LEU A 22 2.420 4.953 -3.512 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.379 6.625 -4.120 1.00 0.00 H new ATOM 0 HD23 LEU A 22 1.640 6.230 -2.550 1.00 0.00 H new ATOM 325 N LEU A 23 -2.724 8.630 -5.675 1.00 0.00 N ATOM 326 CA LEU A 23 -3.626 9.794 -5.520 1.00 0.00 C ATOM 327 C LEU A 23 -5.060 9.350 -5.809 1.00 0.00 C ATOM 328 O LEU A 23 -5.935 9.504 -4.980 1.00 0.00 O ATOM 329 CB LEU A 23 -3.170 10.880 -6.499 1.00 0.00 C ATOM 330 CG LEU A 23 -1.669 11.155 -6.283 1.00 0.00 C ATOM 331 CD1 LEU A 23 -1.254 12.402 -7.079 1.00 0.00 C ATOM 332 CD2 LEU A 23 -1.388 11.393 -4.793 1.00 0.00 C ATOM 0 H LEU A 23 -2.214 8.597 -6.557 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.592 10.193 -4.506 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.350 10.561 -7.526 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.746 11.792 -6.343 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.099 10.292 -6.625 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.192 12.595 -6.925 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -1.443 12.236 -8.140 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.832 13.261 -6.738 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.325 11.587 -4.650 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.963 12.252 -4.447 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.676 10.510 -4.223 1.00 0.00 H new ATOM 344 N LEU A 24 -5.322 8.767 -6.950 1.00 0.00 N ATOM 345 CA LEU A 24 -6.707 8.303 -7.205 1.00 0.00 C ATOM 346 C LEU A 24 -7.046 7.269 -6.149 1.00 0.00 C ATOM 347 O LEU A 24 -8.104 7.304 -5.576 1.00 0.00 O ATOM 348 CB LEU A 24 -6.858 7.689 -8.601 1.00 0.00 C ATOM 349 CG LEU A 24 -5.957 6.454 -8.767 1.00 0.00 C ATOM 350 CD1 LEU A 24 -6.770 5.175 -8.524 1.00 0.00 C ATOM 351 CD2 LEU A 24 -5.408 6.423 -10.198 1.00 0.00 C ATOM 0 H LEU A 24 -4.650 8.597 -7.698 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.385 9.155 -7.158 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -7.898 7.408 -8.767 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -6.604 8.432 -9.357 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.140 6.508 -8.047 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.124 4.305 -8.644 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.176 5.189 -7.513 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -7.588 5.121 -9.243 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.768 5.550 -10.323 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -6.236 6.370 -10.904 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -4.829 7.327 -10.385 1.00 0.00 H new ATOM 363 N LYS A 25 -6.148 6.361 -5.857 1.00 0.00 N ATOM 364 CA LYS A 25 -6.448 5.358 -4.802 1.00 0.00 C ATOM 365 C LYS A 25 -6.987 6.120 -3.591 1.00 0.00 C ATOM 366 O LYS A 25 -7.973 5.748 -2.987 1.00 0.00 O ATOM 367 CB LYS A 25 -5.167 4.600 -4.430 1.00 0.00 C ATOM 368 CG LYS A 25 -4.895 3.508 -5.474 1.00 0.00 C ATOM 369 CD LYS A 25 -3.449 3.013 -5.350 1.00 0.00 C ATOM 370 CE LYS A 25 -3.280 1.718 -6.152 1.00 0.00 C ATOM 371 NZ LYS A 25 -4.179 1.746 -7.341 1.00 0.00 N ATOM 0 H LYS A 25 -5.233 6.275 -6.300 1.00 0.00 H new ATOM 0 HA LYS A 25 -7.181 4.630 -5.150 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -4.325 5.290 -4.382 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -5.270 4.154 -3.441 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -5.586 2.677 -5.332 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -5.069 3.900 -6.476 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -2.760 3.774 -5.718 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -3.202 2.839 -4.303 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -2.243 1.608 -6.470 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -3.515 0.857 -5.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -3.767 1.168 -8.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -5.111 1.364 -7.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -4.287 2.726 -7.672 1.00 0.00 H new ATOM 385 N SER A 26 -6.349 7.211 -3.264 1.00 0.00 N ATOM 386 CA SER A 26 -6.803 8.055 -2.130 1.00 0.00 C ATOM 387 C SER A 26 -8.115 8.744 -2.525 1.00 0.00 C ATOM 388 O SER A 26 -8.559 9.671 -1.878 1.00 0.00 O ATOM 389 CB SER A 26 -5.736 9.122 -1.847 1.00 0.00 C ATOM 390 OG SER A 26 -5.843 9.551 -0.496 1.00 0.00 O ATOM 0 H SER A 26 -5.518 7.556 -3.745 1.00 0.00 H new ATOM 0 HA SER A 26 -6.957 7.443 -1.241 1.00 0.00 H new ATOM 0 HB2 SER A 26 -4.742 8.716 -2.033 1.00 0.00 H new ATOM 0 HB3 SER A 26 -5.866 9.969 -2.520 1.00 0.00 H new ATOM 0 HG SER A 26 -6.772 9.795 -0.303 1.00 0.00 H new ATOM 396 N LYS A 27 -8.717 8.324 -3.609 1.00 0.00 N ATOM 397 CA LYS A 27 -9.971 8.989 -4.069 1.00 0.00 C ATOM 398 C LYS A 27 -10.944 9.155 -2.898 1.00 0.00 C ATOM 399 O LYS A 27 -11.446 10.238 -2.669 1.00 0.00 O ATOM 400 CB LYS A 27 -10.634 8.182 -5.200 1.00 0.00 C ATOM 401 CG LYS A 27 -10.463 6.671 -4.975 1.00 0.00 C ATOM 402 CD LYS A 27 -11.734 5.939 -5.409 1.00 0.00 C ATOM 403 CE LYS A 27 -11.909 6.101 -6.920 1.00 0.00 C ATOM 404 NZ LYS A 27 -13.129 5.366 -7.362 1.00 0.00 N ATOM 0 H LYS A 27 -8.395 7.552 -4.193 1.00 0.00 H new ATOM 0 HA LYS A 27 -9.713 9.975 -4.456 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -11.695 8.427 -5.252 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -10.194 8.462 -6.157 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -9.608 6.303 -5.542 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -10.257 6.471 -3.923 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -11.668 4.883 -5.149 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -12.599 6.343 -4.884 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -11.995 7.157 -7.175 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -11.032 5.718 -7.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -13.248 5.476 -8.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -13.029 4.357 -7.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -13.962 5.752 -6.874 1.00 0.00 H new ATOM 418 N GLY A 28 -11.210 8.123 -2.135 1.00 0.00 N ATOM 419 CA GLY A 28 -12.139 8.301 -0.987 1.00 0.00 C ATOM 420 C GLY A 28 -13.020 7.075 -0.805 1.00 0.00 C ATOM 421 O GLY A 28 -13.941 7.094 -0.020 1.00 0.00 O ATOM 0 H GLY A 28 -10.830 7.184 -2.257 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -11.568 8.481 -0.076 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -12.762 9.180 -1.151 1.00 0.00 H new ATOM 425 N THR A 29 -12.775 6.014 -1.516 1.00 0.00 N ATOM 426 CA THR A 29 -13.647 4.825 -1.333 1.00 0.00 C ATOM 427 C THR A 29 -12.964 3.546 -1.840 1.00 0.00 C ATOM 428 O THR A 29 -12.213 3.560 -2.795 1.00 0.00 O ATOM 429 CB THR A 29 -14.947 5.056 -2.105 1.00 0.00 C ATOM 430 OG1 THR A 29 -14.810 6.212 -2.918 1.00 0.00 O ATOM 431 CG2 THR A 29 -16.118 5.250 -1.136 1.00 0.00 C ATOM 0 H THR A 29 -12.026 5.918 -2.202 1.00 0.00 H new ATOM 0 HA THR A 29 -13.849 4.693 -0.270 1.00 0.00 H new ATOM 0 HB THR A 29 -15.148 4.184 -2.728 1.00 0.00 H new ATOM 0 HG1 THR A 29 -15.641 6.362 -3.416 1.00 0.00 H new ATOM 0 HG21 THR A 29 -17.035 5.413 -1.702 1.00 0.00 H new ATOM 0 HG22 THR A 29 -16.228 4.361 -0.515 1.00 0.00 H new ATOM 0 HG23 THR A 29 -15.925 6.114 -0.501 1.00 0.00 H new ATOM 439 N CYS A 30 -13.268 2.434 -1.222 1.00 0.00 N ATOM 440 CA CYS A 30 -12.697 1.127 -1.672 1.00 0.00 C ATOM 441 C CYS A 30 -13.230 0.848 -3.077 1.00 0.00 C ATOM 442 O CYS A 30 -14.406 1.013 -3.337 1.00 0.00 O ATOM 443 CB CYS A 30 -13.158 0.007 -0.724 1.00 0.00 C ATOM 444 SG CYS A 30 -12.544 -1.599 -1.316 1.00 0.00 S ATOM 0 H CYS A 30 -13.893 2.374 -0.418 1.00 0.00 H new ATOM 0 HA CYS A 30 -11.608 1.166 -1.670 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -12.790 0.198 0.284 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -14.246 -0.008 -0.668 1.00 0.00 H new ATOM 449 N GLN A 31 -12.398 0.440 -3.991 1.00 0.00 N ATOM 450 CA GLN A 31 -12.911 0.177 -5.365 1.00 0.00 C ATOM 451 C GLN A 31 -13.662 -1.151 -5.380 1.00 0.00 C ATOM 452 O GLN A 31 -14.274 -1.518 -6.363 1.00 0.00 O ATOM 453 CB GLN A 31 -11.756 0.128 -6.365 1.00 0.00 C ATOM 454 CG GLN A 31 -10.787 -1.006 -6.010 1.00 0.00 C ATOM 455 CD GLN A 31 -11.352 -2.344 -6.492 1.00 0.00 C ATOM 456 OE1 GLN A 31 -12.266 -2.378 -7.292 1.00 0.00 O ATOM 457 NE2 GLN A 31 -10.844 -3.455 -6.036 1.00 0.00 N ATOM 0 H GLN A 31 -11.400 0.279 -3.852 1.00 0.00 H new ATOM 0 HA GLN A 31 -13.586 0.983 -5.652 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -12.145 -0.020 -7.372 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -11.226 1.081 -6.365 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -9.816 -0.824 -6.471 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -10.628 -1.036 -4.932 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -10.077 -3.427 -5.364 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -11.214 -4.352 -6.351 1.00 0.00 H new ATOM 466 N SER A 32 -13.617 -1.873 -4.296 1.00 0.00 N ATOM 467 CA SER A 32 -14.325 -3.183 -4.233 1.00 0.00 C ATOM 468 C SER A 32 -15.470 -3.095 -3.220 1.00 0.00 C ATOM 469 O SER A 32 -16.385 -3.895 -3.237 1.00 0.00 O ATOM 470 CB SER A 32 -13.338 -4.262 -3.796 1.00 0.00 C ATOM 471 OG SER A 32 -13.973 -5.533 -3.856 1.00 0.00 O ATOM 0 H SER A 32 -13.118 -1.611 -3.446 1.00 0.00 H new ATOM 0 HA SER A 32 -14.730 -3.432 -5.214 1.00 0.00 H new ATOM 0 HB2 SER A 32 -12.460 -4.251 -4.442 1.00 0.00 H new ATOM 0 HB3 SER A 32 -12.991 -4.064 -2.782 1.00 0.00 H new ATOM 0 HG SER A 32 -13.293 -6.237 -3.894 1.00 0.00 H new ATOM 477 N CYS A 33 -15.421 -2.134 -2.332 1.00 0.00 N ATOM 478 CA CYS A 33 -16.502 -1.999 -1.309 1.00 0.00 C ATOM 479 C CYS A 33 -17.072 -0.580 -1.322 1.00 0.00 C ATOM 480 O CYS A 33 -18.166 -0.344 -0.849 1.00 0.00 O ATOM 481 CB CYS A 33 -15.926 -2.291 0.078 1.00 0.00 C ATOM 482 SG CYS A 33 -15.140 -3.914 0.071 1.00 0.00 S ATOM 0 H CYS A 33 -14.679 -1.437 -2.271 1.00 0.00 H new ATOM 0 HA CYS A 33 -17.298 -2.707 -1.543 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -15.201 -1.525 0.351 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -16.718 -2.262 0.826 1.00 0.00 H new ATOM 487 N GLY A 34 -16.344 0.376 -1.835 1.00 0.00 N ATOM 488 CA GLY A 34 -16.875 1.769 -1.835 1.00 0.00 C ATOM 489 C GLY A 34 -17.276 2.126 -0.403 1.00 0.00 C ATOM 490 O GLY A 34 -18.441 2.269 -0.087 1.00 0.00 O ATOM 0 H GLY A 34 -15.419 0.256 -2.248 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -16.120 2.464 -2.203 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -17.734 1.849 -2.502 1.00 0.00 H new ATOM 494 N VAL A 35 -16.313 2.225 0.473 1.00 0.00 N ATOM 495 CA VAL A 35 -16.613 2.520 1.905 1.00 0.00 C ATOM 496 C VAL A 35 -16.275 3.973 2.272 1.00 0.00 C ATOM 497 O VAL A 35 -17.076 4.651 2.883 1.00 0.00 O ATOM 498 CB VAL A 35 -15.789 1.567 2.776 1.00 0.00 C ATOM 499 CG1 VAL A 35 -16.076 0.120 2.350 1.00 0.00 C ATOM 500 CG2 VAL A 35 -14.299 1.872 2.596 1.00 0.00 C ATOM 0 H VAL A 35 -15.323 2.113 0.257 1.00 0.00 H new ATOM 0 HA VAL A 35 -17.681 2.380 2.074 1.00 0.00 H new ATOM 0 HB VAL A 35 -16.059 1.699 3.824 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -15.492 -0.563 2.967 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -17.137 -0.093 2.477 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -15.803 -0.012 1.303 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -13.711 1.194 3.215 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -14.024 1.738 1.550 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -14.100 2.901 2.894 1.00 0.00 H new ATOM 510 N THR A 36 -15.107 4.459 1.929 1.00 0.00 N ATOM 511 CA THR A 36 -14.749 5.863 2.294 1.00 0.00 C ATOM 512 C THR A 36 -13.242 6.057 2.111 1.00 0.00 C ATOM 513 O THR A 36 -12.549 5.172 1.659 1.00 0.00 O ATOM 514 CB THR A 36 -15.120 6.145 3.766 1.00 0.00 C ATOM 515 OG1 THR A 36 -15.408 4.923 4.429 1.00 0.00 O ATOM 516 CG2 THR A 36 -16.343 7.071 3.842 1.00 0.00 C ATOM 0 H THR A 36 -14.390 3.947 1.415 1.00 0.00 H new ATOM 0 HA THR A 36 -15.299 6.550 1.651 1.00 0.00 H new ATOM 0 HB THR A 36 -14.276 6.635 4.252 1.00 0.00 H new ATOM 0 HG1 THR A 36 -16.366 4.731 4.358 1.00 0.00 H new ATOM 0 HG21 THR A 36 -16.592 7.260 4.886 1.00 0.00 H new ATOM 0 HG22 THR A 36 -16.116 8.015 3.346 1.00 0.00 H new ATOM 0 HG23 THR A 36 -17.190 6.596 3.347 1.00 0.00 H new ATOM 524 N GLY A 37 -12.740 7.215 2.448 1.00 0.00 N ATOM 525 CA GLY A 37 -11.281 7.485 2.285 1.00 0.00 C ATOM 526 C GLY A 37 -10.522 7.145 3.565 1.00 0.00 C ATOM 527 O GLY A 37 -9.706 6.248 3.593 1.00 0.00 O ATOM 0 H GLY A 37 -13.281 7.990 2.831 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -10.888 6.896 1.456 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -11.126 8.534 2.033 1.00 0.00 H new ATOM 531 N PRO A 38 -10.767 7.867 4.619 1.00 0.00 N ATOM 532 CA PRO A 38 -10.076 7.631 5.904 1.00 0.00 C ATOM 533 C PRO A 38 -9.975 6.142 6.234 1.00 0.00 C ATOM 534 O PRO A 38 -10.935 5.404 6.142 1.00 0.00 O ATOM 535 CB PRO A 38 -10.922 8.366 6.951 1.00 0.00 C ATOM 536 CG PRO A 38 -12.042 9.045 6.208 1.00 0.00 C ATOM 537 CD PRO A 38 -11.715 8.978 4.714 1.00 0.00 C ATOM 0 HA PRO A 38 -9.048 7.993 5.873 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -11.316 7.667 7.689 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -10.319 9.095 7.492 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -12.992 8.552 6.414 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -12.143 10.081 6.532 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -12.608 8.796 4.116 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -11.277 9.910 4.357 1.00 0.00 H new ATOM 545 N ASN A 39 -8.808 5.712 6.610 1.00 0.00 N ATOM 546 CA ASN A 39 -8.582 4.280 6.958 1.00 0.00 C ATOM 547 C ASN A 39 -8.691 3.410 5.703 1.00 0.00 C ATOM 548 O ASN A 39 -9.089 2.263 5.766 1.00 0.00 O ATOM 549 CB ASN A 39 -9.597 3.817 8.023 1.00 0.00 C ATOM 550 CG ASN A 39 -8.952 3.880 9.411 1.00 0.00 C ATOM 551 OD1 ASN A 39 -9.484 4.497 10.313 1.00 0.00 O ATOM 552 ND2 ASN A 39 -7.820 3.266 9.619 1.00 0.00 N ATOM 0 H ASN A 39 -7.981 6.303 6.694 1.00 0.00 H new ATOM 0 HA ASN A 39 -7.579 4.175 7.371 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -10.484 4.450 7.994 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -9.925 2.800 7.809 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -7.381 3.304 10.539 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -7.374 2.748 8.862 1.00 0.00 H new ATOM 559 N LEU A 40 -8.315 3.928 4.563 1.00 0.00 N ATOM 560 CA LEU A 40 -8.375 3.098 3.326 1.00 0.00 C ATOM 561 C LEU A 40 -7.071 2.309 3.217 1.00 0.00 C ATOM 562 O LEU A 40 -6.166 2.472 4.010 1.00 0.00 O ATOM 563 CB LEU A 40 -8.517 3.992 2.080 1.00 0.00 C ATOM 564 CG LEU A 40 -9.987 4.188 1.671 1.00 0.00 C ATOM 565 CD1 LEU A 40 -10.021 4.834 0.282 1.00 0.00 C ATOM 566 CD2 LEU A 40 -10.724 2.841 1.603 1.00 0.00 C ATOM 0 H LEU A 40 -7.972 4.880 4.436 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.236 2.431 3.380 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.064 4.963 2.278 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -7.967 3.547 1.251 1.00 0.00 H new ATOM 0 HG LEU A 40 -10.478 4.818 2.412 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -11.056 4.981 -0.026 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -9.512 5.797 0.316 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -9.519 4.184 -0.434 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -11.761 3.008 1.312 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -10.240 2.198 0.868 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -10.695 2.360 2.581 1.00 0.00 H new ATOM 578 N TRP A 41 -6.963 1.467 2.233 1.00 0.00 N ATOM 579 CA TRP A 41 -5.711 0.680 2.062 1.00 0.00 C ATOM 580 C TRP A 41 -5.661 0.126 0.637 1.00 0.00 C ATOM 581 O TRP A 41 -6.233 -0.904 0.336 1.00 0.00 O ATOM 582 CB TRP A 41 -5.672 -0.465 3.083 1.00 0.00 C ATOM 583 CG TRP A 41 -4.440 -0.353 3.929 1.00 0.00 C ATOM 584 CD1 TRP A 41 -3.184 -0.193 3.450 1.00 0.00 C ATOM 585 CD2 TRP A 41 -4.322 -0.387 5.381 1.00 0.00 C ATOM 586 NE1 TRP A 41 -2.304 -0.127 4.517 1.00 0.00 N ATOM 587 CE2 TRP A 41 -2.957 -0.243 5.727 1.00 0.00 C ATOM 588 CE3 TRP A 41 -5.255 -0.529 6.423 1.00 0.00 C ATOM 589 CZ2 TRP A 41 -2.536 -0.237 7.058 1.00 0.00 C ATOM 590 CZ3 TRP A 41 -4.835 -0.526 7.763 1.00 0.00 C ATOM 591 CH2 TRP A 41 -3.478 -0.380 8.079 1.00 0.00 C ATOM 0 H TRP A 41 -7.687 1.288 1.538 1.00 0.00 H new ATOM 0 HA TRP A 41 -4.845 1.321 2.229 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -6.561 -0.432 3.713 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -5.683 -1.425 2.567 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -2.913 -0.128 2.407 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -1.296 -0.007 4.420 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -6.304 -0.641 6.191 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -1.489 -0.123 7.296 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -5.562 -0.637 8.554 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -3.161 -0.378 9.111 1.00 0.00 H new ATOM 602 N ALA A 42 -4.994 0.813 -0.248 1.00 0.00 N ATOM 603 CA ALA A 42 -4.921 0.340 -1.654 1.00 0.00 C ATOM 604 C ALA A 42 -3.678 -0.524 -1.866 1.00 0.00 C ATOM 605 O ALA A 42 -2.623 -0.266 -1.324 1.00 0.00 O ATOM 606 CB ALA A 42 -4.856 1.551 -2.581 1.00 0.00 C ATOM 0 H ALA A 42 -4.496 1.682 -0.056 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.805 -0.259 -1.874 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -4.802 1.214 -3.616 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.748 2.162 -2.444 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -3.971 2.143 -2.345 1.00 0.00 H new ATOM 612 N CYS A 43 -3.804 -1.543 -2.671 1.00 0.00 N ATOM 613 CA CYS A 43 -2.644 -2.431 -2.954 1.00 0.00 C ATOM 614 C CYS A 43 -1.537 -1.609 -3.610 1.00 0.00 C ATOM 615 O CYS A 43 -1.798 -0.610 -4.252 1.00 0.00 O ATOM 616 CB CYS A 43 -3.082 -3.541 -3.902 1.00 0.00 C ATOM 617 SG CYS A 43 -1.843 -4.856 -3.903 1.00 0.00 S ATOM 0 H CYS A 43 -4.668 -1.799 -3.148 1.00 0.00 H new ATOM 0 HA CYS A 43 -2.276 -2.869 -2.026 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -4.049 -3.938 -3.592 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -3.208 -3.145 -4.910 1.00 0.00 H new ATOM 622 N LEU A 44 -0.302 -2.003 -3.445 1.00 0.00 N ATOM 623 CA LEU A 44 0.809 -1.219 -4.054 1.00 0.00 C ATOM 624 C LEU A 44 1.814 -2.143 -4.747 1.00 0.00 C ATOM 625 O LEU A 44 3.008 -1.959 -4.624 1.00 0.00 O ATOM 626 CB LEU A 44 1.521 -0.431 -2.950 1.00 0.00 C ATOM 627 CG LEU A 44 2.361 0.695 -3.571 1.00 0.00 C ATOM 628 CD1 LEU A 44 1.469 1.907 -3.878 1.00 0.00 C ATOM 629 CD2 LEU A 44 3.463 1.110 -2.590 1.00 0.00 C ATOM 0 H LEU A 44 -0.017 -2.829 -2.918 1.00 0.00 H new ATOM 0 HA LEU A 44 0.395 -0.541 -4.800 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.789 -0.012 -2.260 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.161 -1.097 -2.371 1.00 0.00 H new ATOM 0 HG LEU A 44 2.809 0.336 -4.498 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.073 2.701 -4.318 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.687 1.615 -4.579 1.00 0.00 H new ATOM 0 HD13 LEU A 44 1.014 2.267 -2.955 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.060 1.909 -3.030 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.011 1.463 -1.663 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.103 0.254 -2.378 1.00 0.00 H new ATOM 641 N GLN A 45 1.362 -3.126 -5.486 1.00 0.00 N ATOM 642 CA GLN A 45 2.337 -4.019 -6.179 1.00 0.00 C ATOM 643 C GLN A 45 2.628 -3.471 -7.579 1.00 0.00 C ATOM 644 O GLN A 45 1.785 -2.873 -8.218 1.00 0.00 O ATOM 645 CB GLN A 45 1.793 -5.446 -6.295 1.00 0.00 C ATOM 646 CG GLN A 45 1.062 -5.851 -5.007 1.00 0.00 C ATOM 647 CD GLN A 45 1.847 -6.961 -4.300 1.00 0.00 C ATOM 648 OE1 GLN A 45 2.070 -6.899 -3.107 1.00 0.00 O ATOM 649 NE2 GLN A 45 2.282 -7.979 -4.991 1.00 0.00 N ATOM 0 H GLN A 45 0.377 -3.345 -5.637 1.00 0.00 H new ATOM 0 HA GLN A 45 3.254 -4.046 -5.590 1.00 0.00 H new ATOM 0 HB2 GLN A 45 1.112 -5.514 -7.143 1.00 0.00 H new ATOM 0 HB3 GLN A 45 2.612 -6.139 -6.488 1.00 0.00 H new ATOM 0 HG2 GLN A 45 0.959 -4.988 -4.349 1.00 0.00 H new ATOM 0 HG3 GLN A 45 0.055 -6.196 -5.241 1.00 0.00 H new ATOM 0 HE21 GLN A 45 2.096 -8.033 -5.992 1.00 0.00 H new ATOM 0 HE22 GLN A 45 2.808 -8.721 -4.530 1.00 0.00 H new ATOM 658 N VAL A 46 3.830 -3.663 -8.041 1.00 0.00 N ATOM 659 CA VAL A 46 4.232 -3.159 -9.390 1.00 0.00 C ATOM 660 C VAL A 46 3.111 -3.342 -10.421 1.00 0.00 C ATOM 661 O VAL A 46 3.119 -2.705 -11.456 1.00 0.00 O ATOM 662 CB VAL A 46 5.468 -3.929 -9.866 1.00 0.00 C ATOM 663 CG1 VAL A 46 5.076 -5.368 -10.212 1.00 0.00 C ATOM 664 CG2 VAL A 46 6.044 -3.246 -11.109 1.00 0.00 C ATOM 0 H VAL A 46 4.566 -4.156 -7.535 1.00 0.00 H new ATOM 0 HA VAL A 46 4.446 -2.094 -9.301 1.00 0.00 H new ATOM 0 HB VAL A 46 6.216 -3.939 -9.073 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.957 -5.914 -10.550 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.664 -5.855 -9.328 1.00 0.00 H new ATOM 0 HG13 VAL A 46 4.327 -5.361 -11.004 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.924 -3.792 -11.450 1.00 0.00 H new ATOM 0 HG22 VAL A 46 5.294 -3.237 -11.900 1.00 0.00 H new ATOM 0 HG23 VAL A 46 6.325 -2.222 -10.864 1.00 0.00 H new ATOM 674 N ALA A 47 2.162 -4.209 -10.181 1.00 0.00 N ATOM 675 CA ALA A 47 1.086 -4.406 -11.200 1.00 0.00 C ATOM 676 C ALA A 47 -0.257 -4.724 -10.538 1.00 0.00 C ATOM 677 O ALA A 47 -0.918 -5.679 -10.896 1.00 0.00 O ATOM 678 CB ALA A 47 1.475 -5.561 -12.124 1.00 0.00 C ATOM 0 H ALA A 47 2.084 -4.780 -9.340 1.00 0.00 H new ATOM 0 HA ALA A 47 0.978 -3.481 -11.767 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.694 -5.709 -12.870 1.00 0.00 H new ATOM 0 HB2 ALA A 47 2.414 -5.326 -12.625 1.00 0.00 H new ATOM 0 HB3 ALA A 47 1.594 -6.472 -11.537 1.00 0.00 H new ATOM 684 N CYS A 48 -0.682 -3.932 -9.591 1.00 0.00 N ATOM 685 CA CYS A 48 -1.996 -4.199 -8.938 1.00 0.00 C ATOM 686 C CYS A 48 -2.687 -2.875 -8.604 1.00 0.00 C ATOM 687 O CYS A 48 -2.634 -2.407 -7.484 1.00 0.00 O ATOM 688 CB CYS A 48 -1.777 -4.987 -7.651 1.00 0.00 C ATOM 689 SG CYS A 48 -3.342 -5.734 -7.139 1.00 0.00 S ATOM 0 H CYS A 48 -0.179 -3.116 -9.243 1.00 0.00 H new ATOM 0 HA CYS A 48 -2.622 -4.775 -9.620 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -1.025 -5.760 -7.807 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -1.400 -4.330 -6.867 1.00 0.00 H new ATOM 694 N PRO A 49 -3.338 -2.277 -9.567 1.00 0.00 N ATOM 695 CA PRO A 49 -4.056 -0.994 -9.367 1.00 0.00 C ATOM 696 C PRO A 49 -5.486 -1.206 -8.855 1.00 0.00 C ATOM 697 O PRO A 49 -6.385 -1.516 -9.609 1.00 0.00 O ATOM 698 CB PRO A 49 -4.070 -0.394 -10.772 1.00 0.00 C ATOM 699 CG PRO A 49 -4.104 -1.573 -11.698 1.00 0.00 C ATOM 700 CD PRO A 49 -3.457 -2.753 -10.953 1.00 0.00 C ATOM 0 HA PRO A 49 -3.581 -0.360 -8.618 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -4.939 0.248 -10.918 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -3.187 0.220 -10.948 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -5.129 -1.812 -11.980 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -3.562 -1.355 -12.619 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -4.073 -3.650 -11.015 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -2.483 -3.005 -11.373 1.00 0.00 H new ATOM 708 N TYR A 50 -5.694 -1.024 -7.578 1.00 0.00 N ATOM 709 CA TYR A 50 -7.053 -1.200 -6.989 1.00 0.00 C ATOM 710 C TYR A 50 -7.010 -0.697 -5.547 1.00 0.00 C ATOM 711 O TYR A 50 -6.094 -1.007 -4.811 1.00 0.00 O ATOM 712 CB TYR A 50 -7.438 -2.685 -6.989 1.00 0.00 C ATOM 713 CG TYR A 50 -7.797 -3.128 -8.390 1.00 0.00 C ATOM 714 CD1 TYR A 50 -6.956 -4.008 -9.083 1.00 0.00 C ATOM 715 CD2 TYR A 50 -8.971 -2.660 -8.994 1.00 0.00 C ATOM 716 CE1 TYR A 50 -7.289 -4.419 -10.380 1.00 0.00 C ATOM 717 CE2 TYR A 50 -9.302 -3.071 -10.291 1.00 0.00 C ATOM 718 CZ TYR A 50 -8.461 -3.950 -10.984 1.00 0.00 C ATOM 719 OH TYR A 50 -8.787 -4.355 -12.262 1.00 0.00 O ATOM 0 H TYR A 50 -4.971 -0.758 -6.910 1.00 0.00 H new ATOM 0 HA TYR A 50 -7.786 -0.645 -7.574 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -6.609 -3.284 -6.611 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -8.282 -2.850 -6.319 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -6.051 -4.370 -8.617 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -9.621 -1.983 -8.460 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -6.641 -5.098 -10.914 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -10.207 -2.710 -10.757 1.00 0.00 H new ATOM 0 HH TYR A 50 -9.632 -3.938 -12.532 1.00 0.00 H new ATOM 729 N VAL A 51 -7.974 0.080 -5.128 1.00 0.00 N ATOM 730 CA VAL A 51 -7.945 0.590 -3.726 1.00 0.00 C ATOM 731 C VAL A 51 -8.908 -0.217 -2.854 1.00 0.00 C ATOM 732 O VAL A 51 -10.113 -0.113 -2.965 1.00 0.00 O ATOM 733 CB VAL A 51 -8.314 2.079 -3.703 1.00 0.00 C ATOM 734 CG1 VAL A 51 -9.506 2.335 -4.627 1.00 0.00 C ATOM 735 CG2 VAL A 51 -8.663 2.512 -2.274 1.00 0.00 C ATOM 0 H VAL A 51 -8.771 0.381 -5.688 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.938 0.476 -3.325 1.00 0.00 H new ATOM 0 HB VAL A 51 -7.460 2.659 -4.052 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -9.762 3.394 -4.605 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -9.246 2.045 -5.645 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -10.360 1.748 -4.290 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -8.924 3.570 -2.268 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -9.510 1.928 -1.913 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.804 2.346 -1.624 1.00 0.00 H new ATOM 745 N GLY A 52 -8.371 -1.029 -1.986 1.00 0.00 N ATOM 746 CA GLY A 52 -9.226 -1.864 -1.099 1.00 0.00 C ATOM 747 C GLY A 52 -9.586 -1.085 0.169 1.00 0.00 C ATOM 748 O GLY A 52 -9.298 0.089 0.293 1.00 0.00 O ATOM 0 H GLY A 52 -7.367 -1.150 -1.853 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -10.134 -2.156 -1.626 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -8.702 -2.782 -0.835 1.00 0.00 H new ATOM 752 N CYS A 53 -10.221 -1.734 1.109 1.00 0.00 N ATOM 753 CA CYS A 53 -10.612 -1.042 2.370 1.00 0.00 C ATOM 754 C CYS A 53 -9.605 -1.338 3.459 1.00 0.00 C ATOM 755 O CYS A 53 -8.756 -2.201 3.351 1.00 0.00 O ATOM 756 CB CYS A 53 -11.945 -1.588 2.912 1.00 0.00 C ATOM 757 SG CYS A 53 -12.261 -3.229 2.222 1.00 0.00 S ATOM 0 H CYS A 53 -10.486 -2.718 1.056 1.00 0.00 H new ATOM 0 HA CYS A 53 -10.677 0.020 2.133 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -11.911 -1.641 4.000 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -12.759 -0.911 2.651 1.00 0.00 H new ATOM 762 N GLY A 54 -9.788 -0.668 4.544 1.00 0.00 N ATOM 763 CA GLY A 54 -8.971 -0.904 5.747 1.00 0.00 C ATOM 764 C GLY A 54 -9.982 -1.365 6.781 1.00 0.00 C ATOM 765 O GLY A 54 -11.162 -1.147 6.600 1.00 0.00 O ATOM 0 H GLY A 54 -10.495 0.059 4.651 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -8.206 -1.660 5.570 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -8.456 0.002 6.066 1.00 0.00 H new ATOM 769 N GLU A 55 -9.580 -2.013 7.831 1.00 0.00 N ATOM 770 CA GLU A 55 -10.588 -2.482 8.833 1.00 0.00 C ATOM 771 C GLU A 55 -11.827 -1.605 8.762 1.00 0.00 C ATOM 772 O GLU A 55 -12.943 -2.072 8.880 1.00 0.00 O ATOM 773 CB GLU A 55 -10.004 -2.390 10.233 1.00 0.00 C ATOM 774 CG GLU A 55 -9.845 -0.920 10.635 1.00 0.00 C ATOM 775 CD GLU A 55 -8.923 -0.818 11.851 1.00 0.00 C ATOM 776 OE1 GLU A 55 -7.829 -1.354 11.787 1.00 0.00 O ATOM 777 OE2 GLU A 55 -9.327 -0.206 12.826 1.00 0.00 O ATOM 0 H GLU A 55 -8.609 -2.240 8.045 1.00 0.00 H new ATOM 0 HA GLU A 55 -10.852 -3.516 8.610 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -10.654 -2.902 10.942 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -9.037 -2.892 10.267 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -9.432 -0.348 9.804 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -10.819 -0.488 10.867 1.00 0.00 H new ATOM 784 N SER A 56 -11.624 -0.340 8.539 1.00 0.00 N ATOM 785 CA SER A 56 -12.767 0.603 8.415 1.00 0.00 C ATOM 786 C SER A 56 -13.976 -0.156 7.867 1.00 0.00 C ATOM 787 O SER A 56 -15.090 0.013 8.323 1.00 0.00 O ATOM 788 CB SER A 56 -12.378 1.716 7.441 1.00 0.00 C ATOM 789 OG SER A 56 -12.199 2.929 8.161 1.00 0.00 O ATOM 0 H SER A 56 -10.703 0.087 8.436 1.00 0.00 H new ATOM 0 HA SER A 56 -13.014 1.032 9.386 1.00 0.00 H new ATOM 0 HB2 SER A 56 -11.459 1.452 6.917 1.00 0.00 H new ATOM 0 HB3 SER A 56 -13.153 1.840 6.684 1.00 0.00 H new ATOM 0 HG SER A 56 -12.570 3.674 7.644 1.00 0.00 H new ATOM 795 N PHE A 57 -13.753 -1.007 6.896 1.00 0.00 N ATOM 796 CA PHE A 57 -14.877 -1.801 6.321 1.00 0.00 C ATOM 797 C PHE A 57 -14.599 -3.286 6.511 1.00 0.00 C ATOM 798 O PHE A 57 -14.929 -3.875 7.521 1.00 0.00 O ATOM 799 CB PHE A 57 -15.006 -1.518 4.829 1.00 0.00 C ATOM 800 CG PHE A 57 -16.114 -2.370 4.255 1.00 0.00 C ATOM 801 CD1 PHE A 57 -15.822 -3.368 3.316 1.00 0.00 C ATOM 802 CD2 PHE A 57 -17.437 -2.163 4.667 1.00 0.00 C ATOM 803 CE1 PHE A 57 -16.853 -4.157 2.789 1.00 0.00 C ATOM 804 CE2 PHE A 57 -18.467 -2.952 4.139 1.00 0.00 C ATOM 805 CZ PHE A 57 -18.175 -3.948 3.200 1.00 0.00 C ATOM 0 H PHE A 57 -12.840 -1.185 6.478 1.00 0.00 H new ATOM 0 HA PHE A 57 -15.800 -1.522 6.829 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -15.221 -0.462 4.664 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -14.065 -1.735 4.323 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -14.802 -3.529 2.998 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -17.663 -1.395 5.392 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -16.628 -4.927 2.066 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -19.487 -2.792 4.457 1.00 0.00 H new ATOM 0 HZ PHE A 57 -18.970 -4.555 2.792 1.00 0.00 H new ATOM 815 N ALA A 58 -13.985 -3.885 5.534 1.00 0.00 N ATOM 816 CA ALA A 58 -13.656 -5.339 5.615 1.00 0.00 C ATOM 817 C ALA A 58 -12.144 -5.500 5.484 1.00 0.00 C ATOM 818 O ALA A 58 -11.612 -6.591 5.531 1.00 0.00 O ATOM 819 CB ALA A 58 -14.351 -6.086 4.475 1.00 0.00 C ATOM 0 H ALA A 58 -13.692 -3.427 4.671 1.00 0.00 H new ATOM 0 HA ALA A 58 -13.996 -5.748 6.567 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -14.110 -7.147 4.535 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -15.430 -5.954 4.558 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -14.009 -5.690 3.519 1.00 0.00 H new ATOM 825 N ASP A 59 -11.455 -4.406 5.324 1.00 0.00 N ATOM 826 CA ASP A 59 -9.975 -4.456 5.191 1.00 0.00 C ATOM 827 C ASP A 59 -9.575 -5.399 4.056 1.00 0.00 C ATOM 828 O ASP A 59 -8.918 -6.396 4.278 1.00 0.00 O ATOM 829 CB ASP A 59 -9.352 -4.944 6.505 1.00 0.00 C ATOM 830 CG ASP A 59 -7.851 -5.171 6.317 1.00 0.00 C ATOM 831 OD1 ASP A 59 -7.467 -6.302 6.071 1.00 0.00 O ATOM 832 OD2 ASP A 59 -7.111 -4.209 6.432 1.00 0.00 O ATOM 0 H ASP A 59 -11.859 -3.470 5.279 1.00 0.00 H new ATOM 0 HA ASP A 59 -9.611 -3.454 4.965 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -9.522 -4.210 7.293 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -9.832 -5.870 6.823 1.00 0.00 H new ATOM 837 N HIS A 60 -9.929 -5.089 2.832 1.00 0.00 N ATOM 838 CA HIS A 60 -9.509 -5.980 1.713 1.00 0.00 C ATOM 839 C HIS A 60 -8.015 -6.219 1.892 1.00 0.00 C ATOM 840 O HIS A 60 -7.462 -7.199 1.456 1.00 0.00 O ATOM 841 CB HIS A 60 -9.756 -5.295 0.357 1.00 0.00 C ATOM 842 CG HIS A 60 -10.943 -5.912 -0.337 1.00 0.00 C ATOM 843 ND1 HIS A 60 -12.116 -5.201 -0.605 1.00 0.00 N ATOM 844 CD2 HIS A 60 -11.148 -7.176 -0.831 1.00 0.00 C ATOM 845 CE1 HIS A 60 -12.956 -6.050 -1.229 1.00 0.00 C ATOM 846 NE2 HIS A 60 -12.415 -7.258 -1.389 1.00 0.00 N ATOM 0 H HIS A 60 -10.480 -4.273 2.565 1.00 0.00 H new ATOM 0 HA HIS A 60 -10.075 -6.911 1.727 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -9.929 -4.229 0.507 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -8.870 -5.389 -0.271 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -10.432 -7.984 -0.791 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -13.949 -5.784 -1.560 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -12.843 -8.072 -1.830 1.00 0.00 H new ATOM 854 N SER A 61 -7.370 -5.304 2.553 1.00 0.00 N ATOM 855 CA SER A 61 -5.909 -5.428 2.803 1.00 0.00 C ATOM 856 C SER A 61 -5.565 -6.852 3.237 1.00 0.00 C ATOM 857 O SER A 61 -4.487 -7.347 2.970 1.00 0.00 O ATOM 858 CB SER A 61 -5.528 -4.453 3.918 1.00 0.00 C ATOM 859 OG SER A 61 -4.188 -4.022 3.732 1.00 0.00 O ATOM 0 H SER A 61 -7.799 -4.462 2.937 1.00 0.00 H new ATOM 0 HA SER A 61 -5.360 -5.200 1.890 1.00 0.00 H new ATOM 0 HB2 SER A 61 -6.201 -3.596 3.912 1.00 0.00 H new ATOM 0 HB3 SER A 61 -5.635 -4.935 4.890 1.00 0.00 H new ATOM 0 HG SER A 61 -3.637 -4.336 4.479 1.00 0.00 H new ATOM 865 N THR A 62 -6.460 -7.514 3.916 1.00 0.00 N ATOM 866 CA THR A 62 -6.162 -8.892 4.375 1.00 0.00 C ATOM 867 C THR A 62 -6.573 -9.910 3.319 1.00 0.00 C ATOM 868 O THR A 62 -5.750 -10.608 2.764 1.00 0.00 O ATOM 869 CB THR A 62 -6.936 -9.186 5.655 1.00 0.00 C ATOM 870 OG1 THR A 62 -8.188 -8.513 5.615 1.00 0.00 O ATOM 871 CG2 THR A 62 -6.137 -8.716 6.873 1.00 0.00 C ATOM 0 H THR A 62 -7.382 -7.159 4.171 1.00 0.00 H new ATOM 0 HA THR A 62 -5.089 -8.967 4.554 1.00 0.00 H new ATOM 0 HB THR A 62 -7.101 -10.261 5.735 1.00 0.00 H new ATOM 0 HG1 THR A 62 -8.056 -7.564 5.823 1.00 0.00 H new ATOM 0 HG21 THR A 62 -6.699 -8.931 7.782 1.00 0.00 H new ATOM 0 HG22 THR A 62 -5.181 -9.239 6.905 1.00 0.00 H new ATOM 0 HG23 THR A 62 -5.961 -7.643 6.801 1.00 0.00 H new ATOM 879 N ILE A 63 -7.848 -10.022 3.053 1.00 0.00 N ATOM 880 CA ILE A 63 -8.290 -11.023 2.054 1.00 0.00 C ATOM 881 C ILE A 63 -7.595 -10.745 0.721 1.00 0.00 C ATOM 882 O ILE A 63 -7.296 -11.644 -0.039 1.00 0.00 O ATOM 883 CB ILE A 63 -9.801 -10.968 1.865 1.00 0.00 C ATOM 884 CG1 ILE A 63 -10.229 -9.519 1.715 1.00 0.00 C ATOM 885 CG2 ILE A 63 -10.497 -11.589 3.079 1.00 0.00 C ATOM 886 CD1 ILE A 63 -11.650 -9.458 1.153 1.00 0.00 C ATOM 0 H ILE A 63 -8.590 -9.468 3.481 1.00 0.00 H new ATOM 0 HA ILE A 63 -8.024 -12.018 2.412 1.00 0.00 H new ATOM 0 HB ILE A 63 -10.079 -11.528 0.972 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -10.187 -9.015 2.681 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -9.542 -8.993 1.052 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -11.577 -11.548 2.940 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -10.184 -12.628 3.186 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -10.225 -11.034 3.977 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -11.955 -8.417 1.046 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -11.677 -9.946 0.179 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -12.332 -9.968 1.833 1.00 0.00 H new ATOM 898 N HIS A 64 -7.334 -9.502 0.443 1.00 0.00 N ATOM 899 CA HIS A 64 -6.650 -9.143 -0.833 1.00 0.00 C ATOM 900 C HIS A 64 -5.188 -9.583 -0.764 1.00 0.00 C ATOM 901 O HIS A 64 -4.649 -10.125 -1.708 1.00 0.00 O ATOM 902 CB HIS A 64 -6.705 -7.631 -1.055 1.00 0.00 C ATOM 903 CG HIS A 64 -6.039 -7.308 -2.361 1.00 0.00 C ATOM 904 ND1 HIS A 64 -6.757 -6.991 -3.504 1.00 0.00 N ATOM 905 CD2 HIS A 64 -4.717 -7.269 -2.724 1.00 0.00 C ATOM 906 CE1 HIS A 64 -5.868 -6.779 -4.493 1.00 0.00 C ATOM 907 NE2 HIS A 64 -4.612 -6.938 -4.069 1.00 0.00 N ATOM 0 H HIS A 64 -7.565 -8.712 1.046 1.00 0.00 H new ATOM 0 HA HIS A 64 -7.155 -9.646 -1.658 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -7.740 -7.289 -1.064 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -6.205 -7.111 -0.238 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -7.772 -6.930 -3.582 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -3.885 -7.466 -2.065 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -6.138 -6.513 -5.504 1.00 0.00 H new ATOM 915 N ALA A 65 -4.543 -9.378 0.355 1.00 0.00 N ATOM 916 CA ALA A 65 -3.124 -9.816 0.476 1.00 0.00 C ATOM 917 C ALA A 65 -3.143 -11.322 0.677 1.00 0.00 C ATOM 918 O ALA A 65 -2.173 -12.021 0.485 1.00 0.00 O ATOM 919 CB ALA A 65 -2.471 -9.138 1.683 1.00 0.00 C ATOM 0 H ALA A 65 -4.935 -8.930 1.183 1.00 0.00 H new ATOM 0 HA ALA A 65 -2.554 -9.547 -0.413 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -1.434 -9.463 1.766 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -2.503 -8.056 1.554 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.010 -9.412 2.590 1.00 0.00 H new ATOM 925 N GLN A 66 -4.273 -11.795 1.087 1.00 0.00 N ATOM 926 CA GLN A 66 -4.486 -13.236 1.355 1.00 0.00 C ATOM 927 C GLN A 66 -4.817 -13.977 0.053 1.00 0.00 C ATOM 928 O GLN A 66 -4.452 -15.121 -0.134 1.00 0.00 O ATOM 929 CB GLN A 66 -5.688 -13.293 2.292 1.00 0.00 C ATOM 930 CG GLN A 66 -6.254 -14.709 2.428 1.00 0.00 C ATOM 931 CD GLN A 66 -5.690 -15.377 3.687 1.00 0.00 C ATOM 932 OE1 GLN A 66 -6.433 -15.865 4.514 1.00 0.00 O ATOM 933 NE2 GLN A 66 -4.397 -15.418 3.865 1.00 0.00 N ATOM 0 H GLN A 66 -5.096 -11.217 1.255 1.00 0.00 H new ATOM 0 HA GLN A 66 -3.599 -13.703 1.783 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -5.396 -12.925 3.276 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -6.467 -12.627 1.921 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -7.342 -14.672 2.482 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -5.999 -15.298 1.547 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -3.773 -15.008 3.170 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -4.011 -15.860 4.699 1.00 0.00 H new ATOM 942 N ALA A 67 -5.532 -13.341 -0.834 1.00 0.00 N ATOM 943 CA ALA A 67 -5.924 -14.009 -2.105 1.00 0.00 C ATOM 944 C ALA A 67 -4.848 -13.791 -3.164 1.00 0.00 C ATOM 945 O ALA A 67 -4.482 -14.693 -3.892 1.00 0.00 O ATOM 946 CB ALA A 67 -7.253 -13.422 -2.593 1.00 0.00 C ATOM 0 H ALA A 67 -5.863 -12.382 -0.731 1.00 0.00 H new ATOM 0 HA ALA A 67 -6.036 -15.079 -1.931 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -7.545 -13.908 -3.524 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -8.023 -13.589 -1.840 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -7.137 -12.352 -2.763 1.00 0.00 H new ATOM 952 N LYS A 68 -4.351 -12.592 -3.265 1.00 0.00 N ATOM 953 CA LYS A 68 -3.311 -12.293 -4.287 1.00 0.00 C ATOM 954 C LYS A 68 -1.929 -12.366 -3.645 1.00 0.00 C ATOM 955 O LYS A 68 -0.922 -12.107 -4.272 1.00 0.00 O ATOM 956 CB LYS A 68 -3.554 -10.894 -4.844 1.00 0.00 C ATOM 957 CG LYS A 68 -4.989 -10.806 -5.387 1.00 0.00 C ATOM 958 CD LYS A 68 -5.920 -10.231 -4.318 1.00 0.00 C ATOM 959 CE LYS A 68 -7.306 -9.996 -4.921 1.00 0.00 C ATOM 960 NZ LYS A 68 -7.859 -11.289 -5.414 1.00 0.00 N ATOM 0 H LYS A 68 -4.622 -11.801 -2.680 1.00 0.00 H new ATOM 0 HA LYS A 68 -3.363 -13.022 -5.096 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -3.402 -10.148 -4.064 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -2.839 -10.677 -5.637 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -5.012 -10.177 -6.277 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -5.334 -11.795 -5.687 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -5.990 -10.918 -3.474 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -5.515 -9.295 -3.934 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -7.972 -9.565 -4.173 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -7.241 -9.280 -5.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -8.877 -11.333 -5.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -7.712 -11.361 -6.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -7.375 -12.077 -4.939 1.00 0.00 H new ATOM 974 N LYS A 69 -1.882 -12.726 -2.397 1.00 0.00 N ATOM 975 CA LYS A 69 -0.578 -12.835 -1.691 1.00 0.00 C ATOM 976 C LYS A 69 0.179 -11.503 -1.773 1.00 0.00 C ATOM 977 O LYS A 69 1.361 -11.437 -1.501 1.00 0.00 O ATOM 978 CB LYS A 69 0.258 -13.954 -2.329 1.00 0.00 C ATOM 979 CG LYS A 69 -0.010 -15.284 -1.610 1.00 0.00 C ATOM 980 CD LYS A 69 -1.523 -15.510 -1.464 1.00 0.00 C ATOM 981 CE LYS A 69 -1.821 -17.012 -1.440 1.00 0.00 C ATOM 982 NZ LYS A 69 -0.760 -17.716 -0.666 1.00 0.00 N ATOM 0 H LYS A 69 -2.699 -12.952 -1.829 1.00 0.00 H new ATOM 0 HA LYS A 69 -0.757 -13.071 -0.642 1.00 0.00 H new ATOM 0 HB2 LYS A 69 0.011 -14.046 -3.387 1.00 0.00 H new ATOM 0 HB3 LYS A 69 1.318 -13.706 -2.270 1.00 0.00 H new ATOM 0 HG2 LYS A 69 0.436 -16.106 -2.171 1.00 0.00 H new ATOM 0 HG3 LYS A 69 0.461 -15.276 -0.627 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -1.883 -15.043 -0.547 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -2.052 -15.038 -2.291 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -2.796 -17.193 -0.988 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -1.863 -17.402 -2.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -1.140 -18.607 -0.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 0.046 -17.922 -1.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -0.445 -17.112 0.120 1.00 0.00 H new ATOM 996 N HIS A 70 -0.495 -10.435 -2.113 1.00 0.00 N ATOM 997 CA HIS A 70 0.194 -9.112 -2.171 1.00 0.00 C ATOM 998 C HIS A 70 0.390 -8.639 -0.728 1.00 0.00 C ATOM 999 O HIS A 70 -0.560 -8.489 0.013 1.00 0.00 O ATOM 1000 CB HIS A 70 -0.673 -8.120 -2.952 1.00 0.00 C ATOM 1001 CG HIS A 70 -0.743 -8.561 -4.391 1.00 0.00 C ATOM 1002 ND1 HIS A 70 -1.734 -8.119 -5.257 1.00 0.00 N ATOM 1003 CD2 HIS A 70 0.047 -9.409 -5.132 1.00 0.00 C ATOM 1004 CE1 HIS A 70 -1.515 -8.696 -6.453 1.00 0.00 C ATOM 1005 NE2 HIS A 70 -0.444 -9.489 -6.428 1.00 0.00 N ATOM 0 H HIS A 70 -1.487 -10.421 -2.352 1.00 0.00 H new ATOM 0 HA HIS A 70 1.157 -9.187 -2.676 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -1.674 -8.075 -2.523 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -0.252 -7.117 -2.885 1.00 0.00 H new ATOM 0 HD2 HIS A 70 0.916 -9.932 -4.762 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -2.131 -8.536 -7.325 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -0.065 -10.039 -7.199 1.00 0.00 H new ATOM 1013 N ASN A 71 1.611 -8.447 -0.301 1.00 0.00 N ATOM 1014 CA ASN A 71 1.839 -8.039 1.115 1.00 0.00 C ATOM 1015 C ASN A 71 1.879 -6.518 1.256 1.00 0.00 C ATOM 1016 O ASN A 71 1.343 -5.963 2.194 1.00 0.00 O ATOM 1017 CB ASN A 71 3.165 -8.635 1.592 1.00 0.00 C ATOM 1018 CG ASN A 71 4.135 -8.743 0.414 1.00 0.00 C ATOM 1019 OD1 ASN A 71 4.009 -9.625 -0.413 1.00 0.00 O ATOM 1020 ND2 ASN A 71 5.106 -7.879 0.300 1.00 0.00 N ATOM 0 H ASN A 71 2.453 -8.554 -0.867 1.00 0.00 H new ATOM 0 HA ASN A 71 1.014 -8.409 1.723 1.00 0.00 H new ATOM 0 HB2 ASN A 71 3.596 -8.009 2.374 1.00 0.00 H new ATOM 0 HB3 ASN A 71 2.996 -9.620 2.028 1.00 0.00 H new ATOM 0 HD21 ASN A 71 5.758 -7.944 -0.482 1.00 0.00 H new ATOM 0 HD22 ASN A 71 5.213 -7.138 0.993 1.00 0.00 H new ATOM 1027 N LEU A 72 2.537 -5.841 0.364 1.00 0.00 N ATOM 1028 CA LEU A 72 2.646 -4.360 0.491 1.00 0.00 C ATOM 1029 C LEU A 72 1.403 -3.634 -0.021 1.00 0.00 C ATOM 1030 O LEU A 72 0.902 -3.884 -1.098 1.00 0.00 O ATOM 1031 CB LEU A 72 3.859 -3.885 -0.296 1.00 0.00 C ATOM 1032 CG LEU A 72 5.129 -4.404 0.376 1.00 0.00 C ATOM 1033 CD1 LEU A 72 6.305 -4.237 -0.580 1.00 0.00 C ATOM 1034 CD2 LEU A 72 5.403 -3.612 1.665 1.00 0.00 C ATOM 0 H LEU A 72 3.005 -6.245 -0.448 1.00 0.00 H new ATOM 0 HA LEU A 72 2.747 -4.127 1.551 1.00 0.00 H new ATOM 0 HB2 LEU A 72 3.804 -4.244 -1.324 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.875 -2.796 -0.340 1.00 0.00 H new ATOM 0 HG LEU A 72 5.000 -5.457 0.626 1.00 0.00 H new ATOM 0 HD11 LEU A 72 7.215 -4.606 -0.106 1.00 0.00 H new ATOM 0 HD12 LEU A 72 6.116 -4.803 -1.492 1.00 0.00 H new ATOM 0 HD13 LEU A 72 6.426 -3.182 -0.827 1.00 0.00 H new ATOM 0 HD21 LEU A 72 6.310 -3.989 2.138 1.00 0.00 H new ATOM 0 HD22 LEU A 72 5.531 -2.557 1.423 1.00 0.00 H new ATOM 0 HD23 LEU A 72 4.562 -3.728 2.349 1.00 0.00 H new ATOM 1046 N THR A 73 0.942 -2.698 0.760 1.00 0.00 N ATOM 1047 CA THR A 73 -0.234 -1.867 0.383 1.00 0.00 C ATOM 1048 C THR A 73 -0.042 -0.513 1.065 1.00 0.00 C ATOM 1049 O THR A 73 0.731 -0.405 1.992 1.00 0.00 O ATOM 1050 CB THR A 73 -1.522 -2.528 0.876 1.00 0.00 C ATOM 1051 OG1 THR A 73 -2.619 -1.656 0.641 1.00 0.00 O ATOM 1052 CG2 THR A 73 -1.406 -2.814 2.371 1.00 0.00 C ATOM 0 H THR A 73 1.343 -2.469 1.669 1.00 0.00 H new ATOM 0 HA THR A 73 -0.312 -1.756 -0.699 1.00 0.00 H new ATOM 0 HB THR A 73 -1.681 -3.464 0.340 1.00 0.00 H new ATOM 0 HG1 THR A 73 -2.409 -1.060 -0.108 1.00 0.00 H new ATOM 0 HG21 THR A 73 -2.324 -3.285 2.724 1.00 0.00 H new ATOM 0 HG22 THR A 73 -0.563 -3.482 2.549 1.00 0.00 H new ATOM 0 HG23 THR A 73 -1.248 -1.879 2.909 1.00 0.00 H new ATOM 1060 N VAL A 74 -0.701 0.527 0.626 1.00 0.00 N ATOM 1061 CA VAL A 74 -0.475 1.856 1.283 1.00 0.00 C ATOM 1062 C VAL A 74 -1.779 2.434 1.831 1.00 0.00 C ATOM 1063 O VAL A 74 -2.769 2.555 1.137 1.00 0.00 O ATOM 1064 CB VAL A 74 0.137 2.825 0.267 1.00 0.00 C ATOM 1065 CG1 VAL A 74 -0.597 2.695 -1.069 1.00 0.00 C ATOM 1066 CG2 VAL A 74 0.011 4.266 0.774 1.00 0.00 C ATOM 0 H VAL A 74 -1.373 0.520 -0.142 1.00 0.00 H new ATOM 0 HA VAL A 74 0.207 1.715 2.121 1.00 0.00 H new ATOM 0 HB VAL A 74 1.191 2.581 0.135 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.161 3.385 -1.792 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -0.502 1.674 -1.439 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -1.651 2.934 -0.930 1.00 0.00 H new ATOM 0 HG21 VAL A 74 0.449 4.948 0.045 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -1.042 4.512 0.914 1.00 0.00 H new ATOM 0 HG23 VAL A 74 0.536 4.365 1.724 1.00 0.00 H new ATOM 1076 N ASN A 75 -1.763 2.809 3.085 1.00 0.00 N ATOM 1077 CA ASN A 75 -2.970 3.404 3.715 1.00 0.00 C ATOM 1078 C ASN A 75 -3.044 4.877 3.328 1.00 0.00 C ATOM 1079 O ASN A 75 -2.327 5.706 3.853 1.00 0.00 O ATOM 1080 CB ASN A 75 -2.871 3.277 5.237 1.00 0.00 C ATOM 1081 CG ASN A 75 -4.255 3.478 5.858 1.00 0.00 C ATOM 1082 OD1 ASN A 75 -5.104 4.126 5.280 1.00 0.00 O ATOM 1083 ND2 ASN A 75 -4.519 2.946 7.021 1.00 0.00 N ATOM 0 H ASN A 75 -0.955 2.726 3.702 1.00 0.00 H new ATOM 0 HA ASN A 75 -3.864 2.883 3.373 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -2.479 2.296 5.506 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -2.174 4.017 5.630 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -5.438 3.075 7.444 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -3.806 2.402 7.507 1.00 0.00 H new ATOM 1090 N LEU A 76 -3.898 5.209 2.406 1.00 0.00 N ATOM 1091 CA LEU A 76 -4.012 6.629 1.973 1.00 0.00 C ATOM 1092 C LEU A 76 -4.642 7.450 3.093 1.00 0.00 C ATOM 1093 O LEU A 76 -5.074 8.569 2.897 1.00 0.00 O ATOM 1094 CB LEU A 76 -4.869 6.693 0.709 1.00 0.00 C ATOM 1095 CG LEU A 76 -4.392 5.602 -0.275 1.00 0.00 C ATOM 1096 CD1 LEU A 76 -5.564 4.700 -0.664 1.00 0.00 C ATOM 1097 CD2 LEU A 76 -3.795 6.237 -1.537 1.00 0.00 C ATOM 0 H LEU A 76 -4.524 4.559 1.931 1.00 0.00 H new ATOM 0 HA LEU A 76 -3.026 7.039 1.755 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -5.920 6.543 0.958 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.788 7.678 0.248 1.00 0.00 H new ATOM 0 HG LEU A 76 -3.623 5.007 0.218 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -5.219 3.934 -1.358 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -5.969 4.225 0.229 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -6.341 5.298 -1.141 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -3.465 5.452 -2.218 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -4.551 6.849 -2.029 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -2.944 6.861 -1.263 1.00 0.00 H new ATOM 1109 N THR A 77 -4.672 6.902 4.274 1.00 0.00 N ATOM 1110 CA THR A 77 -5.244 7.635 5.433 1.00 0.00 C ATOM 1111 C THR A 77 -4.101 8.301 6.190 1.00 0.00 C ATOM 1112 O THR A 77 -4.213 9.415 6.662 1.00 0.00 O ATOM 1113 CB THR A 77 -5.945 6.642 6.355 1.00 0.00 C ATOM 1114 OG1 THR A 77 -6.934 5.945 5.617 1.00 0.00 O ATOM 1115 CG2 THR A 77 -6.587 7.394 7.524 1.00 0.00 C ATOM 0 H THR A 77 -4.321 5.968 4.487 1.00 0.00 H new ATOM 0 HA THR A 77 -5.959 8.384 5.093 1.00 0.00 H new ATOM 0 HB THR A 77 -5.223 5.928 6.752 1.00 0.00 H new ATOM 0 HG1 THR A 77 -6.520 5.194 5.142 1.00 0.00 H new ATOM 0 HG21 THR A 77 -7.088 6.684 8.182 1.00 0.00 H new ATOM 0 HG22 THR A 77 -5.816 7.925 8.082 1.00 0.00 H new ATOM 0 HG23 THR A 77 -7.315 8.109 7.141 1.00 0.00 H new ATOM 1123 N THR A 78 -3.002 7.607 6.312 1.00 0.00 N ATOM 1124 CA THR A 78 -1.828 8.170 7.047 1.00 0.00 C ATOM 1125 C THR A 78 -0.618 8.307 6.116 1.00 0.00 C ATOM 1126 O THR A 78 0.333 8.994 6.430 1.00 0.00 O ATOM 1127 CB THR A 78 -1.462 7.236 8.201 1.00 0.00 C ATOM 1128 OG1 THR A 78 -2.639 6.881 8.913 1.00 0.00 O ATOM 1129 CG2 THR A 78 -0.486 7.942 9.143 1.00 0.00 C ATOM 0 H THR A 78 -2.864 6.670 5.933 1.00 0.00 H new ATOM 0 HA THR A 78 -2.096 9.157 7.425 1.00 0.00 H new ATOM 0 HB THR A 78 -0.992 6.336 7.804 1.00 0.00 H new ATOM 0 HG1 THR A 78 -2.557 7.171 9.845 1.00 0.00 H new ATOM 0 HG21 THR A 78 -0.226 7.275 9.965 1.00 0.00 H new ATOM 0 HG22 THR A 78 0.417 8.212 8.596 1.00 0.00 H new ATOM 0 HG23 THR A 78 -0.952 8.843 9.541 1.00 0.00 H new ATOM 1137 N PHE A 79 -0.643 7.667 4.979 1.00 0.00 N ATOM 1138 CA PHE A 79 0.510 7.769 4.031 1.00 0.00 C ATOM 1139 C PHE A 79 1.653 6.849 4.482 1.00 0.00 C ATOM 1140 O PHE A 79 2.785 7.268 4.624 1.00 0.00 O ATOM 1141 CB PHE A 79 1.006 9.223 3.967 1.00 0.00 C ATOM 1142 CG PHE A 79 1.550 9.516 2.587 1.00 0.00 C ATOM 1143 CD1 PHE A 79 2.928 9.669 2.394 1.00 0.00 C ATOM 1144 CD2 PHE A 79 0.674 9.636 1.501 1.00 0.00 C ATOM 1145 CE1 PHE A 79 3.430 9.941 1.115 1.00 0.00 C ATOM 1146 CE2 PHE A 79 1.177 9.908 0.223 1.00 0.00 C ATOM 1147 CZ PHE A 79 2.554 10.060 0.030 1.00 0.00 C ATOM 0 H PHE A 79 -1.412 7.076 4.662 1.00 0.00 H new ATOM 0 HA PHE A 79 0.178 7.458 3.040 1.00 0.00 H new ATOM 0 HB2 PHE A 79 0.189 9.906 4.199 1.00 0.00 H new ATOM 0 HB3 PHE A 79 1.781 9.386 4.716 1.00 0.00 H new ATOM 0 HD1 PHE A 79 3.604 9.577 3.231 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -0.389 9.519 1.649 1.00 0.00 H new ATOM 0 HE1 PHE A 79 4.493 10.059 0.966 1.00 0.00 H new ATOM 0 HE2 PHE A 79 0.501 10.001 -0.614 1.00 0.00 H new ATOM 0 HZ PHE A 79 2.941 10.269 -0.956 1.00 0.00 H new ATOM 1157 N ARG A 80 1.364 5.593 4.673 1.00 0.00 N ATOM 1158 CA ARG A 80 2.414 4.617 5.077 1.00 0.00 C ATOM 1159 C ARG A 80 2.103 3.304 4.366 1.00 0.00 C ATOM 1160 O ARG A 80 1.147 3.211 3.626 1.00 0.00 O ATOM 1161 CB ARG A 80 2.414 4.397 6.598 1.00 0.00 C ATOM 1162 CG ARG A 80 1.125 4.946 7.225 1.00 0.00 C ATOM 1163 CD ARG A 80 0.881 4.244 8.565 1.00 0.00 C ATOM 1164 NE ARG A 80 -0.401 4.712 9.168 1.00 0.00 N ATOM 1165 CZ ARG A 80 -1.523 4.098 8.891 1.00 0.00 C ATOM 1166 NH1 ARG A 80 -2.637 4.502 9.435 1.00 0.00 N ATOM 1167 NH2 ARG A 80 -1.530 3.085 8.066 1.00 0.00 N ATOM 0 H ARG A 80 0.431 5.195 4.565 1.00 0.00 H new ATOM 0 HA ARG A 80 3.399 4.995 4.804 1.00 0.00 H new ATOM 0 HB2 ARG A 80 2.506 3.333 6.817 1.00 0.00 H new ATOM 0 HB3 ARG A 80 3.279 4.890 7.042 1.00 0.00 H new ATOM 0 HG2 ARG A 80 1.208 6.023 7.374 1.00 0.00 H new ATOM 0 HG3 ARG A 80 0.281 4.781 6.555 1.00 0.00 H new ATOM 0 HD2 ARG A 80 0.849 3.165 8.417 1.00 0.00 H new ATOM 0 HD3 ARG A 80 1.707 4.448 9.246 1.00 0.00 H new ATOM 0 HE ARG A 80 -0.403 5.514 9.799 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -2.633 5.296 10.076 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -3.512 4.024 9.220 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -0.660 2.771 7.636 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -2.406 2.608 7.852 1.00 0.00 H new ATOM 1181 N LEU A 81 2.895 2.294 4.570 1.00 0.00 N ATOM 1182 CA LEU A 81 2.627 1.000 3.882 1.00 0.00 C ATOM 1183 C LEU A 81 2.331 -0.087 4.908 1.00 0.00 C ATOM 1184 O LEU A 81 2.380 0.128 6.101 1.00 0.00 O ATOM 1185 CB LEU A 81 3.853 0.607 3.048 1.00 0.00 C ATOM 1186 CG LEU A 81 3.714 1.144 1.618 1.00 0.00 C ATOM 1187 CD1 LEU A 81 5.096 1.523 1.076 1.00 0.00 C ATOM 1188 CD2 LEU A 81 3.074 0.084 0.699 1.00 0.00 C ATOM 0 H LEU A 81 3.713 2.305 5.179 1.00 0.00 H new ATOM 0 HA LEU A 81 1.761 1.111 3.229 1.00 0.00 H new ATOM 0 HB2 LEU A 81 4.758 1.005 3.508 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.956 -0.478 3.029 1.00 0.00 H new ATOM 0 HG LEU A 81 3.071 2.024 1.637 1.00 0.00 H new ATOM 0 HD11 LEU A 81 4.996 1.904 0.060 1.00 0.00 H new ATOM 0 HD12 LEU A 81 5.537 2.292 1.710 1.00 0.00 H new ATOM 0 HD13 LEU A 81 5.739 0.643 1.072 1.00 0.00 H new ATOM 0 HD21 LEU A 81 2.984 0.484 -0.311 1.00 0.00 H new ATOM 0 HD22 LEU A 81 3.700 -0.808 0.681 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.085 -0.175 1.076 1.00 0.00 H new ATOM 1200 N TRP A 82 2.021 -1.253 4.431 1.00 0.00 N ATOM 1201 CA TRP A 82 1.713 -2.389 5.335 1.00 0.00 C ATOM 1202 C TRP A 82 2.058 -3.678 4.599 1.00 0.00 C ATOM 1203 O TRP A 82 1.426 -4.037 3.626 1.00 0.00 O ATOM 1204 CB TRP A 82 0.227 -2.369 5.690 1.00 0.00 C ATOM 1205 CG TRP A 82 -0.036 -3.286 6.845 1.00 0.00 C ATOM 1206 CD1 TRP A 82 0.613 -3.251 8.032 1.00 0.00 C ATOM 1207 CD2 TRP A 82 -1.011 -4.364 6.942 1.00 0.00 C ATOM 1208 NE1 TRP A 82 0.100 -4.242 8.850 1.00 0.00 N ATOM 1209 CE2 TRP A 82 -0.902 -4.955 8.223 1.00 0.00 C ATOM 1210 CE3 TRP A 82 -1.968 -4.883 6.052 1.00 0.00 C ATOM 1211 CZ2 TRP A 82 -1.715 -6.022 8.608 1.00 0.00 C ATOM 1212 CZ3 TRP A 82 -2.787 -5.957 6.436 1.00 0.00 C ATOM 1213 CH2 TRP A 82 -2.661 -6.526 7.711 1.00 0.00 C ATOM 0 H TRP A 82 1.967 -1.472 3.436 1.00 0.00 H new ATOM 0 HA TRP A 82 2.290 -2.317 6.257 1.00 0.00 H new ATOM 0 HB2 TRP A 82 -0.081 -1.355 5.943 1.00 0.00 H new ATOM 0 HB3 TRP A 82 -0.365 -2.677 4.828 1.00 0.00 H new ATOM 0 HD1 TRP A 82 1.402 -2.563 8.297 1.00 0.00 H new ATOM 0 HE1 TRP A 82 0.423 -4.424 9.800 1.00 0.00 H new ATOM 0 HE3 TRP A 82 -2.074 -4.453 5.067 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 -1.614 -6.455 9.592 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -3.519 -6.347 5.744 1.00 0.00 H new ATOM 0 HH2 TRP A 82 -3.294 -7.352 8.000 1.00 0.00 H new ATOM 1224 N CYS A 83 3.074 -4.364 5.034 1.00 0.00 N ATOM 1225 CA CYS A 83 3.477 -5.611 4.343 1.00 0.00 C ATOM 1226 C CYS A 83 2.825 -6.814 5.009 1.00 0.00 C ATOM 1227 O CYS A 83 3.209 -7.201 6.084 1.00 0.00 O ATOM 1228 CB CYS A 83 4.996 -5.758 4.439 1.00 0.00 C ATOM 1229 SG CYS A 83 5.621 -6.500 2.918 1.00 0.00 S ATOM 0 H CYS A 83 3.643 -4.112 5.842 1.00 0.00 H new ATOM 0 HA CYS A 83 3.161 -5.563 3.301 1.00 0.00 H new ATOM 0 HB2 CYS A 83 5.458 -4.784 4.598 1.00 0.00 H new ATOM 0 HB3 CYS A 83 5.259 -6.379 5.295 1.00 0.00 H new ATOM 1234 N TYR A 84 1.874 -7.440 4.378 1.00 0.00 N ATOM 1235 CA TYR A 84 1.274 -8.643 5.012 1.00 0.00 C ATOM 1236 C TYR A 84 2.337 -9.736 4.980 1.00 0.00 C ATOM 1237 O TYR A 84 2.126 -10.850 5.417 1.00 0.00 O ATOM 1238 CB TYR A 84 0.024 -9.092 4.242 1.00 0.00 C ATOM 1239 CG TYR A 84 -0.849 -9.935 5.145 1.00 0.00 C ATOM 1240 CD1 TYR A 84 -1.079 -11.282 4.839 1.00 0.00 C ATOM 1241 CD2 TYR A 84 -1.425 -9.369 6.288 1.00 0.00 C ATOM 1242 CE1 TYR A 84 -1.886 -12.062 5.676 1.00 0.00 C ATOM 1243 CE2 TYR A 84 -2.232 -10.149 7.125 1.00 0.00 C ATOM 1244 CZ TYR A 84 -2.463 -11.495 6.819 1.00 0.00 C ATOM 1245 OH TYR A 84 -3.259 -12.264 7.644 1.00 0.00 O ATOM 0 H TYR A 84 1.492 -7.178 3.469 1.00 0.00 H new ATOM 0 HA TYR A 84 0.965 -8.428 6.035 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -0.531 -8.223 3.890 1.00 0.00 H new ATOM 0 HB3 TYR A 84 0.313 -9.664 3.360 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -0.634 -11.719 3.957 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -1.247 -8.330 6.524 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -2.063 -13.101 5.440 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -2.676 -9.712 8.007 1.00 0.00 H new ATOM 0 HH TYR A 84 -3.579 -11.718 8.392 1.00 0.00 H new ATOM 1255 N ALA A 85 3.502 -9.396 4.485 1.00 0.00 N ATOM 1256 CA ALA A 85 4.623 -10.368 4.439 1.00 0.00 C ATOM 1257 C ALA A 85 5.533 -10.045 5.620 1.00 0.00 C ATOM 1258 O ALA A 85 5.568 -10.761 6.601 1.00 0.00 O ATOM 1259 CB ALA A 85 5.404 -10.229 3.131 1.00 0.00 C ATOM 0 H ALA A 85 3.720 -8.474 4.108 1.00 0.00 H new ATOM 0 HA ALA A 85 4.247 -11.390 4.492 1.00 0.00 H new ATOM 0 HB1 ALA A 85 6.221 -10.950 3.117 1.00 0.00 H new ATOM 0 HB2 ALA A 85 4.739 -10.418 2.288 1.00 0.00 H new ATOM 0 HB3 ALA A 85 5.809 -9.220 3.055 1.00 0.00 H new ATOM 1265 N CYS A 86 6.226 -8.931 5.568 1.00 0.00 N ATOM 1266 CA CYS A 86 7.061 -8.547 6.724 1.00 0.00 C ATOM 1267 C CYS A 86 6.082 -8.300 7.861 1.00 0.00 C ATOM 1268 O CYS A 86 6.443 -8.164 9.013 1.00 0.00 O ATOM 1269 CB CYS A 86 7.838 -7.264 6.407 1.00 0.00 C ATOM 1270 SG CYS A 86 8.797 -7.492 4.889 1.00 0.00 S ATOM 0 H CYS A 86 6.243 -8.285 4.779 1.00 0.00 H new ATOM 0 HA CYS A 86 7.792 -9.316 6.975 1.00 0.00 H new ATOM 0 HB2 CYS A 86 7.148 -6.429 6.291 1.00 0.00 H new ATOM 0 HB3 CYS A 86 8.502 -7.016 7.235 1.00 0.00 H new ATOM 1275 N GLU A 87 4.824 -8.252 7.509 1.00 0.00 N ATOM 1276 CA GLU A 87 3.751 -8.027 8.508 1.00 0.00 C ATOM 1277 C GLU A 87 4.125 -6.843 9.402 1.00 0.00 C ATOM 1278 O GLU A 87 4.323 -6.975 10.594 1.00 0.00 O ATOM 1279 CB GLU A 87 3.565 -9.313 9.316 1.00 0.00 C ATOM 1280 CG GLU A 87 2.145 -9.856 9.120 1.00 0.00 C ATOM 1281 CD GLU A 87 1.151 -8.977 9.881 1.00 0.00 C ATOM 1282 OE1 GLU A 87 1.536 -8.427 10.900 1.00 0.00 O ATOM 1283 OE2 GLU A 87 0.022 -8.868 9.432 1.00 0.00 O ATOM 0 H GLU A 87 4.494 -8.362 6.550 1.00 0.00 H new ATOM 0 HA GLU A 87 2.808 -7.784 8.019 1.00 0.00 H new ATOM 0 HB2 GLU A 87 4.295 -10.059 9.001 1.00 0.00 H new ATOM 0 HB3 GLU A 87 3.745 -9.117 10.373 1.00 0.00 H new ATOM 0 HG2 GLU A 87 1.894 -9.872 8.059 1.00 0.00 H new ATOM 0 HG3 GLU A 87 2.085 -10.884 9.478 1.00 0.00 H new ATOM 1290 N LYS A 88 4.215 -5.679 8.819 1.00 0.00 N ATOM 1291 CA LYS A 88 4.566 -4.463 9.603 1.00 0.00 C ATOM 1292 C LYS A 88 4.178 -3.226 8.793 1.00 0.00 C ATOM 1293 O LYS A 88 3.621 -3.330 7.722 1.00 0.00 O ATOM 1294 CB LYS A 88 6.071 -4.444 9.872 1.00 0.00 C ATOM 1295 CG LYS A 88 6.813 -4.851 8.601 1.00 0.00 C ATOM 1296 CD LYS A 88 8.315 -4.616 8.782 1.00 0.00 C ATOM 1297 CE LYS A 88 8.869 -5.584 9.833 1.00 0.00 C ATOM 1298 NZ LYS A 88 8.657 -5.016 11.193 1.00 0.00 N ATOM 0 H LYS A 88 4.059 -5.518 7.824 1.00 0.00 H new ATOM 0 HA LYS A 88 4.032 -4.468 10.553 1.00 0.00 H new ATOM 0 HB2 LYS A 88 6.384 -3.448 10.187 1.00 0.00 H new ATOM 0 HB3 LYS A 88 6.316 -5.127 10.685 1.00 0.00 H new ATOM 0 HG2 LYS A 88 6.624 -5.901 8.378 1.00 0.00 H new ATOM 0 HG3 LYS A 88 6.445 -4.274 7.753 1.00 0.00 H new ATOM 0 HD2 LYS A 88 8.832 -4.760 7.833 1.00 0.00 H new ATOM 0 HD3 LYS A 88 8.497 -3.587 9.091 1.00 0.00 H new ATOM 0 HE2 LYS A 88 8.373 -6.551 9.750 1.00 0.00 H new ATOM 0 HE3 LYS A 88 9.932 -5.755 9.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 9.563 -4.988 11.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 8.275 -4.052 11.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 7.984 -5.611 11.717 1.00 0.00 H new ATOM 1312 N GLU A 89 4.474 -2.057 9.296 1.00 0.00 N ATOM 1313 CA GLU A 89 4.128 -0.806 8.555 1.00 0.00 C ATOM 1314 C GLU A 89 5.421 -0.156 8.059 1.00 0.00 C ATOM 1315 O GLU A 89 6.430 -0.184 8.736 1.00 0.00 O ATOM 1316 CB GLU A 89 3.389 0.151 9.507 1.00 0.00 C ATOM 1317 CG GLU A 89 2.099 0.658 8.853 1.00 0.00 C ATOM 1318 CD GLU A 89 1.146 1.169 9.936 1.00 0.00 C ATOM 1319 OE1 GLU A 89 1.512 2.106 10.626 1.00 0.00 O ATOM 1320 OE2 GLU A 89 0.067 0.613 10.057 1.00 0.00 O ATOM 0 H GLU A 89 4.942 -1.913 10.191 1.00 0.00 H new ATOM 0 HA GLU A 89 3.486 -1.032 7.704 1.00 0.00 H new ATOM 0 HB2 GLU A 89 3.155 -0.362 10.440 1.00 0.00 H new ATOM 0 HB3 GLU A 89 4.033 0.994 9.759 1.00 0.00 H new ATOM 0 HG2 GLU A 89 2.326 1.457 8.147 1.00 0.00 H new ATOM 0 HG3 GLU A 89 1.626 -0.144 8.286 1.00 0.00 H new ATOM 1327 N VAL A 90 5.418 0.422 6.883 1.00 0.00 N ATOM 1328 CA VAL A 90 6.676 1.049 6.382 1.00 0.00 C ATOM 1329 C VAL A 90 6.346 2.257 5.500 1.00 0.00 C ATOM 1330 O VAL A 90 5.358 2.287 4.806 1.00 0.00 O ATOM 1331 CB VAL A 90 7.478 0.007 5.577 1.00 0.00 C ATOM 1332 CG1 VAL A 90 8.551 -0.623 6.469 1.00 0.00 C ATOM 1333 CG2 VAL A 90 6.535 -1.094 5.077 1.00 0.00 C ATOM 0 H VAL A 90 4.613 0.486 6.259 1.00 0.00 H new ATOM 0 HA VAL A 90 7.273 1.390 7.228 1.00 0.00 H new ATOM 0 HB VAL A 90 7.951 0.501 4.729 1.00 0.00 H new ATOM 0 HG11 VAL A 90 9.115 -1.359 5.896 1.00 0.00 H new ATOM 0 HG12 VAL A 90 9.227 0.153 6.828 1.00 0.00 H new ATOM 0 HG13 VAL A 90 8.076 -1.112 7.319 1.00 0.00 H new ATOM 0 HG21 VAL A 90 7.104 -1.830 4.508 1.00 0.00 H new ATOM 0 HG22 VAL A 90 6.061 -1.582 5.929 1.00 0.00 H new ATOM 0 HG23 VAL A 90 5.769 -0.655 4.438 1.00 0.00 H new ATOM 1343 N PHE A 91 7.179 3.255 5.528 1.00 0.00 N ATOM 1344 CA PHE A 91 6.941 4.469 4.696 1.00 0.00 C ATOM 1345 C PHE A 91 7.861 4.425 3.492 1.00 0.00 C ATOM 1346 O PHE A 91 8.781 3.634 3.432 1.00 0.00 O ATOM 1347 CB PHE A 91 7.296 5.727 5.481 1.00 0.00 C ATOM 1348 CG PHE A 91 6.402 5.851 6.693 1.00 0.00 C ATOM 1349 CD1 PHE A 91 5.423 6.850 6.742 1.00 0.00 C ATOM 1350 CD2 PHE A 91 6.555 4.968 7.768 1.00 0.00 C ATOM 1351 CE1 PHE A 91 4.597 6.967 7.867 1.00 0.00 C ATOM 1352 CE2 PHE A 91 5.729 5.084 8.893 1.00 0.00 C ATOM 1353 CZ PHE A 91 4.750 6.083 8.942 1.00 0.00 C ATOM 0 H PHE A 91 8.025 3.284 6.097 1.00 0.00 H new ATOM 0 HA PHE A 91 5.891 4.488 4.403 1.00 0.00 H new ATOM 0 HB2 PHE A 91 8.340 5.689 5.792 1.00 0.00 H new ATOM 0 HB3 PHE A 91 7.184 6.605 4.845 1.00 0.00 H new ATOM 0 HD1 PHE A 91 5.304 7.531 5.912 1.00 0.00 H new ATOM 0 HD2 PHE A 91 7.310 4.197 7.730 1.00 0.00 H new ATOM 0 HE1 PHE A 91 3.842 7.739 7.905 1.00 0.00 H new ATOM 0 HE2 PHE A 91 5.847 4.403 9.723 1.00 0.00 H new ATOM 0 HZ PHE A 91 4.112 6.172 9.809 1.00 0.00 H new ATOM 1363 N LEU A 92 7.645 5.287 2.543 1.00 0.00 N ATOM 1364 CA LEU A 92 8.541 5.307 1.369 1.00 0.00 C ATOM 1365 C LEU A 92 9.978 5.261 1.883 1.00 0.00 C ATOM 1366 O LEU A 92 10.292 5.790 2.931 1.00 0.00 O ATOM 1367 CB LEU A 92 8.307 6.591 0.568 1.00 0.00 C ATOM 1368 CG LEU A 92 6.917 6.541 -0.083 1.00 0.00 C ATOM 1369 CD1 LEU A 92 6.367 7.962 -0.234 1.00 0.00 C ATOM 1370 CD2 LEU A 92 7.019 5.888 -1.465 1.00 0.00 C ATOM 0 H LEU A 92 6.890 5.973 2.533 1.00 0.00 H new ATOM 0 HA LEU A 92 8.346 4.455 0.717 1.00 0.00 H new ATOM 0 HB2 LEU A 92 8.383 7.460 1.222 1.00 0.00 H new ATOM 0 HB3 LEU A 92 9.075 6.700 -0.197 1.00 0.00 H new ATOM 0 HG LEU A 92 6.247 5.957 0.548 1.00 0.00 H new ATOM 0 HD11 LEU A 92 5.381 7.923 -0.696 1.00 0.00 H new ATOM 0 HD12 LEU A 92 6.289 8.428 0.748 1.00 0.00 H new ATOM 0 HD13 LEU A 92 7.039 8.547 -0.862 1.00 0.00 H new ATOM 0 HD21 LEU A 92 6.031 5.854 -1.925 1.00 0.00 H new ATOM 0 HD22 LEU A 92 7.692 6.471 -2.094 1.00 0.00 H new ATOM 0 HD23 LEU A 92 7.406 4.874 -1.361 1.00 0.00 H new ATOM 1382 N GLU A 93 10.838 4.619 1.165 1.00 0.00 N ATOM 1383 CA GLU A 93 12.262 4.504 1.594 1.00 0.00 C ATOM 1384 C GLU A 93 12.823 5.879 1.982 1.00 0.00 C ATOM 1385 O GLU A 93 13.984 6.007 2.316 1.00 0.00 O ATOM 1386 CB GLU A 93 13.084 3.920 0.444 1.00 0.00 C ATOM 1387 CG GLU A 93 12.709 4.627 -0.860 1.00 0.00 C ATOM 1388 CD GLU A 93 13.347 3.893 -2.041 1.00 0.00 C ATOM 1389 OE1 GLU A 93 14.147 3.006 -1.798 1.00 0.00 O ATOM 1390 OE2 GLU A 93 13.026 4.234 -3.168 1.00 0.00 O ATOM 0 H GLU A 93 10.620 4.158 0.282 1.00 0.00 H new ATOM 0 HA GLU A 93 12.319 3.850 2.464 1.00 0.00 H new ATOM 0 HB2 GLU A 93 14.148 4.043 0.644 1.00 0.00 H new ATOM 0 HB3 GLU A 93 12.898 2.850 0.357 1.00 0.00 H new ATOM 0 HG2 GLU A 93 11.625 4.650 -0.975 1.00 0.00 H new ATOM 0 HG3 GLU A 93 13.049 5.662 -0.835 1.00 0.00 H new ATOM 1397 N GLN A 94 12.016 6.906 1.944 1.00 0.00 N ATOM 1398 CA GLN A 94 12.509 8.265 2.316 1.00 0.00 C ATOM 1399 C GLN A 94 13.627 8.699 1.361 1.00 0.00 C ATOM 1400 O GLN A 94 13.934 9.870 1.251 1.00 0.00 O ATOM 1401 CB GLN A 94 13.045 8.245 3.749 1.00 0.00 C ATOM 1402 CG GLN A 94 12.094 7.442 4.641 1.00 0.00 C ATOM 1403 CD GLN A 94 12.424 7.711 6.111 1.00 0.00 C ATOM 1404 OE1 GLN A 94 13.549 7.535 6.535 1.00 0.00 O ATOM 1405 NE2 GLN A 94 11.485 8.135 6.910 1.00 0.00 N ATOM 0 H GLN A 94 11.034 6.862 1.671 1.00 0.00 H new ATOM 0 HA GLN A 94 11.682 8.972 2.245 1.00 0.00 H new ATOM 0 HB2 GLN A 94 14.041 7.802 3.770 1.00 0.00 H new ATOM 0 HB3 GLN A 94 13.141 9.263 4.126 1.00 0.00 H new ATOM 0 HG2 GLN A 94 11.061 7.720 4.432 1.00 0.00 H new ATOM 0 HG3 GLN A 94 12.187 6.378 4.425 1.00 0.00 H new ATOM 0 HE21 GLN A 94 10.541 8.283 6.554 1.00 0.00 H new ATOM 0 HE22 GLN A 94 11.695 8.319 7.891 1.00 0.00 H new ATOM 1414 N ARG A 95 14.239 7.775 0.669 1.00 0.00 N ATOM 1415 CA ARG A 95 15.331 8.154 -0.272 1.00 0.00 C ATOM 1416 C ARG A 95 14.870 9.341 -1.118 1.00 0.00 C ATOM 1417 O ARG A 95 15.653 10.182 -1.514 1.00 0.00 O ATOM 1418 CB ARG A 95 15.672 6.951 -1.171 1.00 0.00 C ATOM 1419 CG ARG A 95 14.822 6.960 -2.454 1.00 0.00 C ATOM 1420 CD ARG A 95 15.445 7.890 -3.508 1.00 0.00 C ATOM 1421 NE ARG A 95 16.030 7.069 -4.606 1.00 0.00 N ATOM 1422 CZ ARG A 95 16.291 7.617 -5.761 1.00 0.00 C ATOM 1423 NH1 ARG A 95 16.803 6.898 -6.723 1.00 0.00 N ATOM 1424 NH2 ARG A 95 16.042 8.882 -5.954 1.00 0.00 N ATOM 0 H ARG A 95 14.030 6.778 0.715 1.00 0.00 H new ATOM 0 HA ARG A 95 16.224 8.439 0.284 1.00 0.00 H new ATOM 0 HB2 ARG A 95 16.730 6.976 -1.432 1.00 0.00 H new ATOM 0 HB3 ARG A 95 15.501 6.024 -0.624 1.00 0.00 H new ATOM 0 HG2 ARG A 95 14.745 5.949 -2.853 1.00 0.00 H new ATOM 0 HG3 ARG A 95 13.809 7.289 -2.223 1.00 0.00 H new ATOM 0 HD2 ARG A 95 14.688 8.565 -3.907 1.00 0.00 H new ATOM 0 HD3 ARG A 95 16.216 8.510 -3.052 1.00 0.00 H new ATOM 0 HE ARG A 95 16.226 6.080 -4.455 1.00 0.00 H new ATOM 0 HH11 ARG A 95 16.999 5.908 -6.571 1.00 0.00 H new ATOM 0 HH12 ARG A 95 17.007 7.326 -7.626 1.00 0.00 H new ATOM 0 HH21 ARG A 95 15.643 9.444 -5.202 1.00 0.00 H new ATOM 0 HH22 ARG A 95 16.246 9.310 -6.857 1.00 0.00 H new ATOM 1438 N LEU A 96 13.598 9.408 -1.391 1.00 0.00 N ATOM 1439 CA LEU A 96 13.062 10.533 -2.210 1.00 0.00 C ATOM 1440 C LEU A 96 12.430 11.576 -1.288 1.00 0.00 C ATOM 1441 O LEU A 96 12.392 11.414 -0.085 1.00 0.00 O ATOM 1442 CB LEU A 96 12.009 10.003 -3.192 1.00 0.00 C ATOM 1443 CG LEU A 96 10.921 9.211 -2.439 1.00 0.00 C ATOM 1444 CD1 LEU A 96 9.732 10.122 -2.117 1.00 0.00 C ATOM 1445 CD2 LEU A 96 10.437 8.052 -3.316 1.00 0.00 C ATOM 0 H LEU A 96 12.902 8.730 -1.081 1.00 0.00 H new ATOM 0 HA LEU A 96 13.875 10.992 -2.773 1.00 0.00 H new ATOM 0 HB2 LEU A 96 11.555 10.834 -3.731 1.00 0.00 H new ATOM 0 HB3 LEU A 96 12.485 9.363 -3.935 1.00 0.00 H new ATOM 0 HG LEU A 96 11.343 8.827 -1.510 1.00 0.00 H new ATOM 0 HD11 LEU A 96 8.970 9.552 -1.585 1.00 0.00 H new ATOM 0 HD12 LEU A 96 10.067 10.950 -1.493 1.00 0.00 H new ATOM 0 HD13 LEU A 96 9.312 10.513 -3.044 1.00 0.00 H new ATOM 0 HD21 LEU A 96 9.668 7.491 -2.785 1.00 0.00 H new ATOM 0 HD22 LEU A 96 10.023 8.446 -4.244 1.00 0.00 H new ATOM 0 HD23 LEU A 96 11.275 7.393 -3.543 1.00 0.00 H new ATOM 1457 N ALA A 97 11.935 12.647 -1.844 1.00 0.00 N ATOM 1458 CA ALA A 97 11.306 13.702 -0.999 1.00 0.00 C ATOM 1459 C ALA A 97 10.287 14.483 -1.830 1.00 0.00 C ATOM 1460 O ALA A 97 10.476 15.647 -2.126 1.00 0.00 O ATOM 1461 CB ALA A 97 12.388 14.657 -0.490 1.00 0.00 C ATOM 0 H ALA A 97 11.939 12.838 -2.846 1.00 0.00 H new ATOM 0 HA ALA A 97 10.802 13.237 -0.152 1.00 0.00 H new ATOM 0 HB1 ALA A 97 11.930 15.429 0.128 1.00 0.00 H new ATOM 0 HB2 ALA A 97 13.114 14.101 0.103 1.00 0.00 H new ATOM 0 HB3 ALA A 97 12.891 15.122 -1.338 1.00 0.00 H new ATOM 1467 N ALA A 98 9.207 13.855 -2.206 1.00 0.00 N ATOM 1468 CA ALA A 98 8.176 14.562 -3.016 1.00 0.00 C ATOM 1469 C ALA A 98 8.855 15.324 -4.158 1.00 0.00 C ATOM 1470 O ALA A 98 8.986 16.531 -4.116 1.00 0.00 O ATOM 1471 CB ALA A 98 7.418 15.550 -2.126 1.00 0.00 C ATOM 0 H ALA A 98 8.994 12.882 -1.987 1.00 0.00 H new ATOM 0 HA ALA A 98 7.478 13.834 -3.430 1.00 0.00 H new ATOM 0 HB1 ALA A 98 6.663 16.068 -2.718 1.00 0.00 H new ATOM 0 HB2 ALA A 98 6.933 15.009 -1.313 1.00 0.00 H new ATOM 0 HB3 ALA A 98 8.117 16.277 -1.713 1.00 0.00 H new ATOM 1477 N PRO A 99 9.286 14.618 -5.167 1.00 0.00 N ATOM 1478 CA PRO A 99 9.968 15.228 -6.346 1.00 0.00 C ATOM 1479 C PRO A 99 9.188 16.419 -6.914 1.00 0.00 C ATOM 1480 O PRO A 99 8.084 16.207 -7.387 1.00 0.00 O ATOM 1481 CB PRO A 99 10.027 14.084 -7.364 1.00 0.00 C ATOM 1482 CG PRO A 99 9.986 12.832 -6.550 1.00 0.00 C ATOM 1483 CD PRO A 99 9.168 13.157 -5.298 1.00 0.00 C ATOM 1484 OXT PRO A 99 9.709 17.520 -6.865 1.00 0.00 O ATOM 0 HA PRO A 99 10.948 15.628 -6.087 1.00 0.00 H new ATOM 0 HB2 PRO A 99 9.187 14.130 -8.057 1.00 0.00 H new ATOM 0 HB3 PRO A 99 10.937 14.135 -7.962 1.00 0.00 H new ATOM 0 HG2 PRO A 99 9.528 12.018 -7.112 1.00 0.00 H new ATOM 0 HG3 PRO A 99 10.992 12.509 -6.283 1.00 0.00 H new ATOM 0 HD2 PRO A 99 8.128 12.849 -5.409 1.00 0.00 H new ATOM 0 HD3 PRO A 99 9.561 12.644 -4.420 1.00 0.00 H new TER 1492 PRO A 99 HETATM 1493 ZN ZN A 101 7.894 -6.772 2.883 1.00 0.00 ZN HETATM 1494 ZN ZN A 102 -12.894 -3.459 0.029 1.00 0.00 ZN HETATM 1495 ZN ZN A 103 -2.915 -6.531 -5.037 1.00 0.00 ZN