USER MOD reduce.3.24.130724 H: found=0, std=0, add=545, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 541 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 38 HIS HD1 : A 38 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 68 HIS HD1 : A 68 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ -97:sc= 0.0334 (180deg=0) USER MOD Single : A 2 SER OG : rot 3:sc= 1.16 USER MOD Single : A 3 SER OG : rot 28:sc= 1.17 USER MOD Single : A 5 SER OG : rot -18:sc= 0.522 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0116) USER MOD Single : A 13 MET CE :methyl 137:sc= -0.2 (180deg=-0.824) USER MOD Single : A 15 SER OG : rot 6:sc= 1.49 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -0.173 K(o=-0.17,f=-2.6!) USER MOD Single : A 28 ASN : amide:sc= -0.88 K(o=-0.88,f=-2.3!) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl -143:sc= -4.37! (180deg=-6.92!) USER MOD Single : A 35 THR OG1 : rot 30:sc= 0.125 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 180:sc= -0.0532 USER MOD Single : A 70 HIS : no HD1:sc= -0.0905 X(o=-0.091,f=-0.21) USER MOD Single : A 71 HIS : no HD1:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc=-0.000288 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -42.684 13.788 -30.141 1.00 0.00 N ATOM 2 CA GLY A 1 -42.191 12.831 -29.167 1.00 0.00 C ATOM 3 C GLY A 1 -40.679 12.733 -29.165 1.00 0.00 C ATOM 4 O GLY A 1 -40.033 12.981 -30.183 1.00 0.00 O ATOM 0 H1 GLY A 1 -42.869 14.697 -29.671 1.00 0.00 H new ATOM 0 H2 GLY A 1 -41.972 13.922 -30.887 1.00 0.00 H new ATOM 0 H3 GLY A 1 -43.565 13.431 -30.564 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -42.535 13.119 -28.173 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -42.615 11.850 -29.379 1.00 0.00 H new ATOM 8 N SER A 2 -40.112 12.373 -28.018 1.00 0.00 N ATOM 9 CA SER A 2 -38.665 12.248 -27.886 1.00 0.00 C ATOM 10 C SER A 2 -38.302 11.401 -26.670 1.00 0.00 C ATOM 11 O SER A 2 -39.029 11.376 -25.677 1.00 0.00 O ATOM 12 CB SER A 2 -38.022 13.631 -27.769 1.00 0.00 C ATOM 13 OG SER A 2 -38.099 14.335 -28.996 1.00 0.00 O ATOM 0 H SER A 2 -40.633 12.163 -27.167 1.00 0.00 H new ATOM 0 HA SER A 2 -38.284 11.752 -28.779 1.00 0.00 H new ATOM 0 HB2 SER A 2 -38.521 14.202 -26.986 1.00 0.00 H new ATOM 0 HB3 SER A 2 -36.979 13.526 -27.471 1.00 0.00 H new ATOM 0 HG SER A 2 -38.594 13.799 -29.650 1.00 0.00 H new ATOM 19 N SER A 3 -37.171 10.707 -26.757 1.00 0.00 N ATOM 20 CA SER A 3 -36.711 9.855 -25.666 1.00 0.00 C ATOM 21 C SER A 3 -35.245 9.479 -25.852 1.00 0.00 C ATOM 22 O SER A 3 -34.714 9.535 -26.961 1.00 0.00 O ATOM 23 CB SER A 3 -37.568 8.590 -25.584 1.00 0.00 C ATOM 24 OG SER A 3 -38.744 8.819 -24.827 1.00 0.00 O ATOM 0 H SER A 3 -36.557 10.718 -27.571 1.00 0.00 H new ATOM 0 HA SER A 3 -36.809 10.413 -24.735 1.00 0.00 H new ATOM 0 HB2 SER A 3 -37.836 8.263 -26.589 1.00 0.00 H new ATOM 0 HB3 SER A 3 -36.991 7.785 -25.130 1.00 0.00 H new ATOM 0 HG SER A 3 -38.993 9.765 -24.888 1.00 0.00 H new ATOM 30 N GLY A 4 -34.595 9.095 -24.757 1.00 0.00 N ATOM 31 CA GLY A 4 -33.196 8.715 -24.820 1.00 0.00 C ATOM 32 C GLY A 4 -32.678 8.192 -23.495 1.00 0.00 C ATOM 33 O GLY A 4 -33.222 8.512 -22.438 1.00 0.00 O ATOM 0 H GLY A 4 -35.013 9.040 -23.828 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -33.064 7.950 -25.586 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -32.602 9.577 -25.125 1.00 0.00 H new ATOM 37 N SER A 5 -31.624 7.385 -23.551 1.00 0.00 N ATOM 38 CA SER A 5 -31.035 6.812 -22.346 1.00 0.00 C ATOM 39 C SER A 5 -29.597 6.369 -22.601 1.00 0.00 C ATOM 40 O SER A 5 -29.176 6.223 -23.749 1.00 0.00 O ATOM 41 CB SER A 5 -31.868 5.623 -21.861 1.00 0.00 C ATOM 42 OG SER A 5 -33.226 5.989 -21.691 1.00 0.00 O ATOM 0 H SER A 5 -31.160 7.113 -24.418 1.00 0.00 H new ATOM 0 HA SER A 5 -31.028 7.581 -21.574 1.00 0.00 H new ATOM 0 HB2 SER A 5 -31.795 4.806 -22.579 1.00 0.00 H new ATOM 0 HB3 SER A 5 -31.466 5.254 -20.917 1.00 0.00 H new ATOM 0 HG SER A 5 -33.298 6.965 -21.644 1.00 0.00 H new ATOM 48 N SER A 6 -28.849 6.158 -21.523 1.00 0.00 N ATOM 49 CA SER A 6 -27.458 5.736 -21.629 1.00 0.00 C ATOM 50 C SER A 6 -26.909 5.324 -20.266 1.00 0.00 C ATOM 51 O SER A 6 -26.873 6.124 -19.332 1.00 0.00 O ATOM 52 CB SER A 6 -26.604 6.862 -22.215 1.00 0.00 C ATOM 53 OG SER A 6 -25.447 6.347 -22.852 1.00 0.00 O ATOM 0 H SER A 6 -29.183 6.272 -20.566 1.00 0.00 H new ATOM 0 HA SER A 6 -27.416 4.874 -22.294 1.00 0.00 H new ATOM 0 HB2 SER A 6 -27.193 7.434 -22.932 1.00 0.00 H new ATOM 0 HB3 SER A 6 -26.311 7.550 -21.422 1.00 0.00 H new ATOM 0 HG SER A 6 -24.919 7.087 -23.219 1.00 0.00 H new ATOM 59 N GLY A 7 -26.484 4.069 -20.160 1.00 0.00 N ATOM 60 CA GLY A 7 -25.944 3.572 -18.908 1.00 0.00 C ATOM 61 C GLY A 7 -25.732 2.071 -18.924 1.00 0.00 C ATOM 62 O GLY A 7 -26.691 1.302 -18.999 1.00 0.00 O ATOM 0 H GLY A 7 -26.504 3.388 -20.919 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -24.995 4.068 -18.703 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -26.622 3.832 -18.095 1.00 0.00 H new ATOM 66 N LYS A 8 -24.473 1.652 -18.854 1.00 0.00 N ATOM 67 CA LYS A 8 -24.137 0.233 -18.860 1.00 0.00 C ATOM 68 C LYS A 8 -22.759 -0.003 -18.252 1.00 0.00 C ATOM 69 O LYS A 8 -22.037 0.945 -17.942 1.00 0.00 O ATOM 70 CB LYS A 8 -24.176 -0.315 -20.289 1.00 0.00 C ATOM 71 CG LYS A 8 -23.039 0.185 -21.163 1.00 0.00 C ATOM 72 CD LYS A 8 -23.230 1.643 -21.547 1.00 0.00 C ATOM 73 CE LYS A 8 -22.126 2.123 -22.476 1.00 0.00 C ATOM 74 NZ LYS A 8 -22.283 1.579 -23.853 1.00 0.00 N ATOM 0 H LYS A 8 -23.668 2.275 -18.792 1.00 0.00 H new ATOM 0 HA LYS A 8 -24.876 -0.292 -18.255 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -24.143 -1.404 -20.253 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -25.125 -0.040 -20.749 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -22.093 0.068 -20.633 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -22.977 -0.424 -22.065 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -24.197 1.769 -22.034 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -23.244 2.259 -20.648 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -22.131 3.212 -22.513 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -21.158 1.822 -22.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -21.551 1.983 -24.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -22.185 0.544 -23.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -23.223 1.830 -24.220 1.00 0.00 H new ATOM 88 N ASP A 9 -22.400 -1.271 -18.084 1.00 0.00 N ATOM 89 CA ASP A 9 -21.107 -1.630 -17.515 1.00 0.00 C ATOM 90 C ASP A 9 -19.975 -0.901 -18.232 1.00 0.00 C ATOM 91 O ASP A 9 -19.235 -0.129 -17.622 1.00 0.00 O ATOM 92 CB ASP A 9 -20.890 -3.142 -17.601 1.00 0.00 C ATOM 93 CG ASP A 9 -22.155 -3.926 -17.306 1.00 0.00 C ATOM 94 OD1 ASP A 9 -22.447 -4.154 -16.114 1.00 0.00 O ATOM 95 OD2 ASP A 9 -22.852 -4.309 -18.268 1.00 0.00 O ATOM 0 H ASP A 9 -22.987 -2.067 -18.334 1.00 0.00 H new ATOM 0 HA ASP A 9 -21.103 -1.328 -16.468 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -20.531 -3.399 -18.598 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -20.112 -3.435 -16.897 1.00 0.00 H new ATOM 100 N PHE A 10 -19.846 -1.151 -19.531 1.00 0.00 N ATOM 101 CA PHE A 10 -18.804 -0.519 -20.331 1.00 0.00 C ATOM 102 C PHE A 10 -17.422 -1.007 -19.906 1.00 0.00 C ATOM 103 O PHE A 10 -16.498 -0.212 -19.729 1.00 0.00 O ATOM 104 CB PHE A 10 -18.883 1.003 -20.200 1.00 0.00 C ATOM 105 CG PHE A 10 -18.010 1.735 -21.179 1.00 0.00 C ATOM 106 CD1 PHE A 10 -18.191 1.574 -22.544 1.00 0.00 C ATOM 107 CD2 PHE A 10 -17.009 2.584 -20.735 1.00 0.00 C ATOM 108 CE1 PHE A 10 -17.388 2.246 -23.447 1.00 0.00 C ATOM 109 CE2 PHE A 10 -16.203 3.258 -21.634 1.00 0.00 C ATOM 110 CZ PHE A 10 -16.394 3.090 -22.991 1.00 0.00 C ATOM 0 H PHE A 10 -20.450 -1.787 -20.052 1.00 0.00 H new ATOM 0 HA PHE A 10 -18.963 -0.795 -21.373 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -19.917 1.319 -20.341 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -18.598 1.288 -19.187 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -18.968 0.917 -22.906 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -16.857 2.721 -19.675 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -17.538 2.111 -24.508 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -15.425 3.915 -21.275 1.00 0.00 H new ATOM 0 HZ PHE A 10 -15.767 3.618 -23.695 1.00 0.00 H new ATOM 120 N LEU A 11 -17.288 -2.319 -19.744 1.00 0.00 N ATOM 121 CA LEU A 11 -16.019 -2.914 -19.339 1.00 0.00 C ATOM 122 C LEU A 11 -15.568 -2.369 -17.988 1.00 0.00 C ATOM 123 O LEU A 11 -14.388 -2.087 -17.783 1.00 0.00 O ATOM 124 CB LEU A 11 -14.946 -2.642 -20.395 1.00 0.00 C ATOM 125 CG LEU A 11 -15.069 -3.435 -21.697 1.00 0.00 C ATOM 126 CD1 LEU A 11 -14.082 -2.917 -22.732 1.00 0.00 C ATOM 127 CD2 LEU A 11 -14.847 -4.918 -21.441 1.00 0.00 C ATOM 0 H LEU A 11 -18.042 -2.991 -19.887 1.00 0.00 H new ATOM 0 HA LEU A 11 -16.164 -3.990 -19.245 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -14.964 -1.579 -20.637 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -13.971 -2.852 -19.956 1.00 0.00 H new ATOM 0 HG LEU A 11 -16.078 -3.301 -22.088 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -14.184 -3.493 -23.652 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -14.288 -1.866 -22.937 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -13.066 -3.020 -22.350 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -14.938 -5.467 -22.378 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -13.850 -5.071 -21.027 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -15.593 -5.281 -20.734 1.00 0.00 H new ATOM 139 N ALA A 12 -16.517 -2.225 -17.068 1.00 0.00 N ATOM 140 CA ALA A 12 -16.217 -1.719 -15.734 1.00 0.00 C ATOM 141 C ALA A 12 -16.740 -2.664 -14.658 1.00 0.00 C ATOM 142 O ALA A 12 -17.787 -3.288 -14.822 1.00 0.00 O ATOM 143 CB ALA A 12 -16.808 -0.329 -15.552 1.00 0.00 C ATOM 0 H ALA A 12 -17.499 -2.452 -17.222 1.00 0.00 H new ATOM 0 HA ALA A 12 -15.134 -1.657 -15.630 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -16.576 0.037 -14.552 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -16.382 0.347 -16.293 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -17.889 -0.374 -15.681 1.00 0.00 H new ATOM 149 N MET A 13 -16.003 -2.764 -13.556 1.00 0.00 N ATOM 150 CA MET A 13 -16.394 -3.633 -12.452 1.00 0.00 C ATOM 151 C MET A 13 -15.662 -3.247 -11.171 1.00 0.00 C ATOM 152 O MET A 13 -14.531 -2.762 -11.212 1.00 0.00 O ATOM 153 CB MET A 13 -16.104 -5.095 -12.798 1.00 0.00 C ATOM 154 CG MET A 13 -16.812 -5.573 -14.056 1.00 0.00 C ATOM 155 SD MET A 13 -16.580 -7.336 -14.355 1.00 0.00 S ATOM 156 CE MET A 13 -17.394 -8.033 -12.919 1.00 0.00 C ATOM 0 H MET A 13 -15.133 -2.254 -13.404 1.00 0.00 H new ATOM 0 HA MET A 13 -17.465 -3.511 -12.289 1.00 0.00 H new ATOM 0 HB2 MET A 13 -15.029 -5.224 -12.925 1.00 0.00 H new ATOM 0 HB3 MET A 13 -16.404 -5.725 -11.960 1.00 0.00 H new ATOM 0 HG2 MET A 13 -17.878 -5.360 -13.972 1.00 0.00 H new ATOM 0 HG3 MET A 13 -16.441 -5.011 -14.913 1.00 0.00 H new ATOM 0 HE1 MET A 13 -18.000 -8.886 -13.223 1.00 0.00 H new ATOM 0 HE2 MET A 13 -16.644 -8.359 -12.198 1.00 0.00 H new ATOM 0 HE3 MET A 13 -18.033 -7.278 -12.461 1.00 0.00 H new ATOM 166 N PHE A 14 -16.314 -3.465 -10.034 1.00 0.00 N ATOM 167 CA PHE A 14 -15.725 -3.138 -8.740 1.00 0.00 C ATOM 168 C PHE A 14 -14.424 -3.907 -8.525 1.00 0.00 C ATOM 169 O PHE A 14 -13.428 -3.346 -8.069 1.00 0.00 O ATOM 170 CB PHE A 14 -16.710 -3.455 -7.613 1.00 0.00 C ATOM 171 CG PHE A 14 -17.131 -4.896 -7.572 1.00 0.00 C ATOM 172 CD1 PHE A 14 -16.403 -5.824 -6.844 1.00 0.00 C ATOM 173 CD2 PHE A 14 -18.254 -5.323 -8.261 1.00 0.00 C ATOM 174 CE1 PHE A 14 -16.788 -7.151 -6.806 1.00 0.00 C ATOM 175 CE2 PHE A 14 -18.644 -6.649 -8.226 1.00 0.00 C ATOM 176 CZ PHE A 14 -17.911 -7.563 -7.496 1.00 0.00 C ATOM 0 H PHE A 14 -17.250 -3.867 -9.982 1.00 0.00 H new ATOM 0 HA PHE A 14 -15.502 -2.071 -8.729 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -16.255 -3.191 -6.659 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -17.595 -2.829 -7.728 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -15.525 -5.507 -6.300 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -18.832 -4.612 -8.832 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -16.211 -7.865 -6.237 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -19.521 -6.969 -8.769 1.00 0.00 H new ATOM 0 HZ PHE A 14 -18.215 -8.599 -7.465 1.00 0.00 H new ATOM 186 N SER A 15 -14.442 -5.194 -8.857 1.00 0.00 N ATOM 187 CA SER A 15 -13.267 -6.041 -8.697 1.00 0.00 C ATOM 188 C SER A 15 -12.057 -5.430 -9.397 1.00 0.00 C ATOM 189 O SER A 15 -12.181 -4.680 -10.366 1.00 0.00 O ATOM 190 CB SER A 15 -13.540 -7.439 -9.254 1.00 0.00 C ATOM 191 OG SER A 15 -14.679 -8.019 -8.641 1.00 0.00 O ATOM 0 H SER A 15 -15.258 -5.673 -9.239 1.00 0.00 H new ATOM 0 HA SER A 15 -13.048 -6.118 -7.632 1.00 0.00 H new ATOM 0 HB2 SER A 15 -13.693 -7.381 -10.332 1.00 0.00 H new ATOM 0 HB3 SER A 15 -12.671 -8.076 -9.089 1.00 0.00 H new ATOM 0 HG SER A 15 -15.109 -7.358 -8.059 1.00 0.00 H new ATOM 197 N PRO A 16 -10.856 -5.757 -8.895 1.00 0.00 N ATOM 198 CA PRO A 16 -9.600 -5.252 -9.457 1.00 0.00 C ATOM 199 C PRO A 16 -9.298 -5.846 -10.828 1.00 0.00 C ATOM 200 O PRO A 16 -9.861 -6.872 -11.210 1.00 0.00 O ATOM 201 CB PRO A 16 -8.550 -5.701 -8.437 1.00 0.00 C ATOM 202 CG PRO A 16 -9.151 -6.892 -7.775 1.00 0.00 C ATOM 203 CD PRO A 16 -10.633 -6.645 -7.742 1.00 0.00 C ATOM 0 HA PRO A 16 -9.628 -4.174 -9.615 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -7.607 -5.952 -8.923 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -8.336 -4.913 -7.715 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -8.920 -7.803 -8.327 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -8.754 -7.020 -6.768 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -11.197 -7.573 -7.834 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -10.942 -6.176 -6.808 1.00 0.00 H new ATOM 211 N LYS A 17 -8.405 -5.195 -11.566 1.00 0.00 N ATOM 212 CA LYS A 17 -8.025 -5.659 -12.895 1.00 0.00 C ATOM 213 C LYS A 17 -6.513 -5.595 -13.083 1.00 0.00 C ATOM 214 O LYS A 17 -5.840 -4.743 -12.501 1.00 0.00 O ATOM 215 CB LYS A 17 -8.719 -4.817 -13.969 1.00 0.00 C ATOM 216 CG LYS A 17 -10.166 -4.489 -13.644 1.00 0.00 C ATOM 217 CD LYS A 17 -10.773 -3.559 -14.681 1.00 0.00 C ATOM 218 CE LYS A 17 -11.450 -4.336 -15.800 1.00 0.00 C ATOM 219 NZ LYS A 17 -12.870 -4.648 -15.478 1.00 0.00 N ATOM 0 H LYS A 17 -7.931 -4.344 -11.266 1.00 0.00 H new ATOM 0 HA LYS A 17 -8.342 -6.697 -12.994 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -8.166 -3.887 -14.104 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -8.681 -5.351 -14.918 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -10.747 -5.410 -13.596 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -10.223 -4.024 -12.660 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -11.499 -2.903 -14.202 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -9.994 -2.921 -15.099 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -11.406 -3.757 -16.723 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -10.906 -5.263 -15.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -13.296 -5.178 -16.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -12.912 -5.222 -14.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -13.396 -3.762 -15.332 1.00 0.00 H new ATOM 233 N CYS A 18 -5.984 -6.500 -13.900 1.00 0.00 N ATOM 234 CA CYS A 18 -4.551 -6.546 -14.165 1.00 0.00 C ATOM 235 C CYS A 18 -4.012 -5.156 -14.487 1.00 0.00 C ATOM 236 O CYS A 18 -4.647 -4.383 -15.205 1.00 0.00 O ATOM 237 CB CYS A 18 -4.257 -7.500 -15.324 1.00 0.00 C ATOM 238 SG CYS A 18 -2.711 -7.133 -16.215 1.00 0.00 S ATOM 0 H CYS A 18 -6.526 -7.211 -14.390 1.00 0.00 H new ATOM 0 HA CYS A 18 -4.052 -6.910 -13.267 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -4.209 -8.519 -14.939 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -5.087 -7.465 -16.029 1.00 0.00 H new ATOM 243 N GLY A 19 -2.836 -4.844 -13.951 1.00 0.00 N ATOM 244 CA GLY A 19 -2.231 -3.547 -14.192 1.00 0.00 C ATOM 245 C GLY A 19 -1.548 -3.468 -15.543 1.00 0.00 C ATOM 246 O GLY A 19 -0.473 -2.883 -15.670 1.00 0.00 O ATOM 0 H GLY A 19 -2.291 -5.466 -13.354 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -2.998 -2.775 -14.130 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -1.504 -3.337 -13.408 1.00 0.00 H new ATOM 250 N GLY A 20 -2.173 -4.061 -16.556 1.00 0.00 N ATOM 251 CA GLY A 20 -1.602 -4.046 -17.891 1.00 0.00 C ATOM 252 C GLY A 20 -2.661 -4.099 -18.974 1.00 0.00 C ATOM 253 O GLY A 20 -2.657 -3.282 -19.896 1.00 0.00 O ATOM 0 H GLY A 20 -3.064 -4.551 -16.476 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -1.003 -3.144 -18.017 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -0.928 -4.895 -18.004 1.00 0.00 H new ATOM 257 N CYS A 21 -3.569 -5.062 -18.866 1.00 0.00 N ATOM 258 CA CYS A 21 -4.637 -5.221 -19.845 1.00 0.00 C ATOM 259 C CYS A 21 -5.944 -4.627 -19.325 1.00 0.00 C ATOM 260 O CYS A 21 -6.908 -4.474 -20.073 1.00 0.00 O ATOM 261 CB CYS A 21 -4.835 -6.701 -20.180 1.00 0.00 C ATOM 262 SG CYS A 21 -3.299 -7.680 -20.153 1.00 0.00 S ATOM 0 H CYS A 21 -3.587 -5.745 -18.109 1.00 0.00 H new ATOM 0 HA CYS A 21 -4.349 -4.686 -20.750 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -5.541 -7.132 -19.470 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -5.288 -6.782 -21.168 1.00 0.00 H new ATOM 267 N ASN A 22 -5.966 -4.294 -18.039 1.00 0.00 N ATOM 268 CA ASN A 22 -7.153 -3.718 -17.419 1.00 0.00 C ATOM 269 C ASN A 22 -8.317 -4.703 -17.452 1.00 0.00 C ATOM 270 O ASN A 22 -9.470 -4.312 -17.635 1.00 0.00 O ATOM 271 CB ASN A 22 -7.547 -2.421 -18.130 1.00 0.00 C ATOM 272 CG ASN A 22 -6.884 -1.202 -17.518 1.00 0.00 C ATOM 273 OD1 ASN A 22 -6.266 -1.285 -16.457 1.00 0.00 O ATOM 274 ND2 ASN A 22 -7.012 -0.062 -18.187 1.00 0.00 N ATOM 0 H ASN A 22 -5.175 -4.413 -17.406 1.00 0.00 H new ATOM 0 HA ASN A 22 -6.917 -3.497 -16.378 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -7.274 -2.490 -19.183 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -8.630 -2.302 -18.089 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -6.589 0.792 -17.825 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -7.534 -0.041 -19.063 1.00 0.00 H new ATOM 281 N ARG A 23 -8.007 -5.983 -17.273 1.00 0.00 N ATOM 282 CA ARG A 23 -9.027 -7.025 -17.284 1.00 0.00 C ATOM 283 C ARG A 23 -9.302 -7.530 -15.870 1.00 0.00 C ATOM 284 O ARG A 23 -8.424 -7.543 -15.008 1.00 0.00 O ATOM 285 CB ARG A 23 -8.590 -8.187 -18.177 1.00 0.00 C ATOM 286 CG ARG A 23 -8.837 -7.945 -19.657 1.00 0.00 C ATOM 287 CD ARG A 23 -10.220 -8.417 -20.075 1.00 0.00 C ATOM 288 NE ARG A 23 -10.526 -8.058 -21.458 1.00 0.00 N ATOM 289 CZ ARG A 23 -9.995 -8.670 -22.510 1.00 0.00 C ATOM 290 NH1 ARG A 23 -9.137 -9.665 -22.339 1.00 0.00 N ATOM 291 NH2 ARG A 23 -10.323 -8.286 -23.738 1.00 0.00 N ATOM 0 H ARG A 23 -7.058 -6.323 -17.119 1.00 0.00 H new ATOM 0 HA ARG A 23 -9.946 -6.596 -17.683 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -7.528 -8.374 -18.021 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -9.121 -9.088 -17.871 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -8.733 -6.882 -19.875 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -8.081 -8.467 -20.243 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -10.284 -9.499 -19.959 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -10.968 -7.980 -19.413 1.00 0.00 H new ATOM 0 HE ARG A 23 -11.183 -7.296 -21.624 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -8.883 -9.963 -21.397 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -8.731 -10.133 -23.149 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -10.983 -7.520 -23.874 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -9.915 -8.757 -24.546 1.00 0.00 H new ATOM 305 N PRO A 24 -10.550 -7.956 -15.626 1.00 0.00 N ATOM 306 CA PRO A 24 -10.970 -8.470 -14.319 1.00 0.00 C ATOM 307 C PRO A 24 -10.341 -9.822 -13.999 1.00 0.00 C ATOM 308 O PRO A 24 -10.765 -10.854 -14.519 1.00 0.00 O ATOM 309 CB PRO A 24 -12.488 -8.607 -14.462 1.00 0.00 C ATOM 310 CG PRO A 24 -12.716 -8.777 -15.925 1.00 0.00 C ATOM 311 CD PRO A 24 -11.648 -7.969 -16.608 1.00 0.00 C ATOM 0 HA PRO A 24 -10.663 -7.813 -13.505 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -12.863 -9.463 -13.901 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -13.003 -7.725 -14.081 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -12.653 -9.827 -16.210 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -13.709 -8.429 -16.208 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -11.340 -8.424 -17.549 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -11.993 -6.961 -16.839 1.00 0.00 H new ATOM 319 N VAL A 25 -9.327 -9.810 -13.139 1.00 0.00 N ATOM 320 CA VAL A 25 -8.641 -11.035 -12.748 1.00 0.00 C ATOM 321 C VAL A 25 -9.370 -11.733 -11.605 1.00 0.00 C ATOM 322 O VAL A 25 -9.730 -11.104 -10.609 1.00 0.00 O ATOM 323 CB VAL A 25 -7.189 -10.753 -12.321 1.00 0.00 C ATOM 324 CG1 VAL A 25 -6.282 -10.656 -13.538 1.00 0.00 C ATOM 325 CG2 VAL A 25 -7.116 -9.482 -11.489 1.00 0.00 C ATOM 0 H VAL A 25 -8.963 -8.965 -12.700 1.00 0.00 H new ATOM 0 HA VAL A 25 -8.635 -11.687 -13.622 1.00 0.00 H new ATOM 0 HB VAL A 25 -6.843 -11.584 -11.706 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -5.260 -10.456 -13.215 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -6.311 -11.596 -14.089 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -6.624 -9.846 -14.183 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -6.082 -9.298 -11.196 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -7.482 -8.640 -12.077 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -7.732 -9.595 -10.597 1.00 0.00 H new ATOM 335 N LEU A 26 -9.584 -13.035 -11.755 1.00 0.00 N ATOM 336 CA LEU A 26 -10.270 -13.820 -10.734 1.00 0.00 C ATOM 337 C LEU A 26 -9.517 -15.114 -10.445 1.00 0.00 C ATOM 338 O LEU A 26 -9.403 -15.533 -9.294 1.00 0.00 O ATOM 339 CB LEU A 26 -11.699 -14.136 -11.180 1.00 0.00 C ATOM 340 CG LEU A 26 -12.670 -12.956 -11.206 1.00 0.00 C ATOM 341 CD1 LEU A 26 -13.877 -13.276 -12.075 1.00 0.00 C ATOM 342 CD2 LEU A 26 -13.108 -12.594 -9.794 1.00 0.00 C ATOM 0 H LEU A 26 -9.293 -13.570 -12.573 1.00 0.00 H new ATOM 0 HA LEU A 26 -10.304 -13.229 -9.819 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -11.659 -14.570 -12.179 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -12.105 -14.900 -10.517 1.00 0.00 H new ATOM 0 HG LEU A 26 -12.156 -12.097 -11.637 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -14.557 -12.424 -12.081 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -13.547 -13.485 -13.093 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -14.393 -14.149 -11.674 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -13.799 -11.752 -9.832 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -13.604 -13.450 -9.336 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -12.235 -12.321 -9.201 1.00 0.00 H new ATOM 354 N GLU A 27 -9.004 -15.742 -11.499 1.00 0.00 N ATOM 355 CA GLU A 27 -8.261 -16.989 -11.357 1.00 0.00 C ATOM 356 C GLU A 27 -6.795 -16.794 -11.734 1.00 0.00 C ATOM 357 O GLU A 27 -6.473 -16.031 -12.643 1.00 0.00 O ATOM 358 CB GLU A 27 -8.882 -18.081 -12.229 1.00 0.00 C ATOM 359 CG GLU A 27 -9.151 -17.640 -13.658 1.00 0.00 C ATOM 360 CD GLU A 27 -7.883 -17.535 -14.484 1.00 0.00 C ATOM 361 OE1 GLU A 27 -6.966 -18.355 -14.269 1.00 0.00 O ATOM 362 OE2 GLU A 27 -7.808 -16.634 -15.345 1.00 0.00 O ATOM 0 H GLU A 27 -9.089 -15.408 -12.459 1.00 0.00 H new ATOM 0 HA GLU A 27 -8.312 -17.296 -10.312 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -8.217 -18.945 -12.243 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -9.818 -18.407 -11.776 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -9.831 -18.348 -14.131 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -9.655 -16.673 -13.647 1.00 0.00 H new ATOM 369 N ASN A 28 -5.911 -17.490 -11.027 1.00 0.00 N ATOM 370 CA ASN A 28 -4.479 -17.393 -11.286 1.00 0.00 C ATOM 371 C ASN A 28 -4.049 -15.937 -11.432 1.00 0.00 C ATOM 372 O ASN A 28 -3.433 -15.557 -12.428 1.00 0.00 O ATOM 373 CB ASN A 28 -4.114 -18.174 -12.550 1.00 0.00 C ATOM 374 CG ASN A 28 -2.705 -18.733 -12.499 1.00 0.00 C ATOM 375 OD1 ASN A 28 -1.896 -18.491 -13.395 1.00 0.00 O ATOM 376 ND2 ASN A 28 -2.406 -19.485 -11.446 1.00 0.00 N ATOM 0 H ASN A 28 -6.161 -18.127 -10.271 1.00 0.00 H new ATOM 0 HA ASN A 28 -3.952 -17.825 -10.435 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -4.822 -18.992 -12.685 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -4.212 -17.521 -13.418 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -1.474 -19.889 -11.356 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -3.109 -19.659 -10.727 1.00 0.00 H new ATOM 383 N TYR A 29 -4.379 -15.126 -10.433 1.00 0.00 N ATOM 384 CA TYR A 29 -4.029 -13.710 -10.451 1.00 0.00 C ATOM 385 C TYR A 29 -3.050 -13.376 -9.329 1.00 0.00 C ATOM 386 O TYR A 29 -3.002 -14.062 -8.307 1.00 0.00 O ATOM 387 CB TYR A 29 -5.288 -12.851 -10.317 1.00 0.00 C ATOM 388 CG TYR A 29 -5.838 -12.798 -8.910 1.00 0.00 C ATOM 389 CD1 TYR A 29 -6.714 -13.773 -8.448 1.00 0.00 C ATOM 390 CD2 TYR A 29 -5.483 -11.773 -8.041 1.00 0.00 C ATOM 391 CE1 TYR A 29 -7.220 -13.728 -7.164 1.00 0.00 C ATOM 392 CE2 TYR A 29 -5.982 -11.721 -6.755 1.00 0.00 C ATOM 393 CZ TYR A 29 -6.851 -12.701 -6.321 1.00 0.00 C ATOM 394 OH TYR A 29 -7.352 -12.652 -5.040 1.00 0.00 O ATOM 0 H TYR A 29 -4.888 -15.424 -9.601 1.00 0.00 H new ATOM 0 HA TYR A 29 -3.548 -13.493 -11.405 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -5.063 -11.837 -10.649 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -6.057 -13.241 -10.984 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -7.004 -14.580 -9.105 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -4.804 -11.003 -8.378 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -7.901 -14.493 -6.822 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -5.694 -10.918 -6.093 1.00 0.00 H new ATOM 0 HH TYR A 29 -6.992 -11.866 -4.578 1.00 0.00 H new ATOM 404 N LEU A 30 -2.273 -12.318 -9.527 1.00 0.00 N ATOM 405 CA LEU A 30 -1.294 -11.891 -8.533 1.00 0.00 C ATOM 406 C LEU A 30 -1.761 -10.626 -7.818 1.00 0.00 C ATOM 407 O LEU A 30 -2.720 -9.981 -8.240 1.00 0.00 O ATOM 408 CB LEU A 30 0.062 -11.644 -9.196 1.00 0.00 C ATOM 409 CG LEU A 30 0.446 -12.610 -10.318 1.00 0.00 C ATOM 410 CD1 LEU A 30 -0.189 -12.182 -11.631 1.00 0.00 C ATOM 411 CD2 LEU A 30 1.959 -12.692 -10.456 1.00 0.00 C ATOM 0 H LEU A 30 -2.301 -11.739 -10.367 1.00 0.00 H new ATOM 0 HA LEU A 30 -1.191 -12.687 -7.796 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.068 -10.631 -9.598 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.833 -11.687 -8.427 1.00 0.00 H new ATOM 0 HG LEU A 30 0.070 -13.601 -10.063 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.095 -12.881 -12.418 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.274 -12.176 -11.526 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.156 -11.182 -11.893 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.214 -13.384 -11.259 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.357 -11.704 -10.688 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.391 -13.047 -9.520 1.00 0.00 H new ATOM 423 N SER A 31 -1.074 -10.277 -6.735 1.00 0.00 N ATOM 424 CA SER A 31 -1.418 -9.090 -5.961 1.00 0.00 C ATOM 425 C SER A 31 -0.174 -8.266 -5.647 1.00 0.00 C ATOM 426 O SER A 31 0.555 -8.559 -4.700 1.00 0.00 O ATOM 427 CB SER A 31 -2.121 -9.490 -4.662 1.00 0.00 C ATOM 428 OG SER A 31 -3.525 -9.557 -4.841 1.00 0.00 O ATOM 0 H SER A 31 -0.276 -10.799 -6.374 1.00 0.00 H new ATOM 0 HA SER A 31 -2.094 -8.479 -6.559 1.00 0.00 H new ATOM 0 HB2 SER A 31 -1.748 -10.457 -4.326 1.00 0.00 H new ATOM 0 HB3 SER A 31 -1.885 -8.768 -3.880 1.00 0.00 H new ATOM 0 HG SER A 31 -3.950 -9.816 -3.997 1.00 0.00 H new ATOM 434 N ALA A 32 0.063 -7.234 -6.450 1.00 0.00 N ATOM 435 CA ALA A 32 1.218 -6.365 -6.257 1.00 0.00 C ATOM 436 C ALA A 32 0.810 -4.896 -6.285 1.00 0.00 C ATOM 437 O ALA A 32 -0.233 -4.542 -6.834 1.00 0.00 O ATOM 438 CB ALA A 32 2.270 -6.643 -7.321 1.00 0.00 C ATOM 0 H ALA A 32 -0.529 -6.979 -7.240 1.00 0.00 H new ATOM 0 HA ALA A 32 1.643 -6.578 -5.276 1.00 0.00 H new ATOM 0 HB1 ALA A 32 3.127 -5.988 -7.165 1.00 0.00 H new ATOM 0 HB2 ALA A 32 2.591 -7.682 -7.252 1.00 0.00 H new ATOM 0 HB3 ALA A 32 1.847 -6.458 -8.308 1.00 0.00 H new ATOM 444 N MET A 33 1.639 -4.046 -5.688 1.00 0.00 N ATOM 445 CA MET A 33 1.364 -2.614 -5.645 1.00 0.00 C ATOM 446 C MET A 33 -0.081 -2.350 -5.234 1.00 0.00 C ATOM 447 O MET A 33 -0.796 -1.595 -5.893 1.00 0.00 O ATOM 448 CB MET A 33 1.643 -1.978 -7.008 1.00 0.00 C ATOM 449 CG MET A 33 3.077 -2.160 -7.481 1.00 0.00 C ATOM 450 SD MET A 33 3.422 -1.267 -9.009 1.00 0.00 S ATOM 451 CE MET A 33 4.672 -2.320 -9.741 1.00 0.00 C ATOM 0 H MET A 33 2.506 -4.323 -5.228 1.00 0.00 H new ATOM 0 HA MET A 33 2.023 -2.165 -4.901 1.00 0.00 H new ATOM 0 HB2 MET A 33 0.968 -2.410 -7.747 1.00 0.00 H new ATOM 0 HB3 MET A 33 1.419 -0.913 -6.956 1.00 0.00 H new ATOM 0 HG2 MET A 33 3.759 -1.817 -6.703 1.00 0.00 H new ATOM 0 HG3 MET A 33 3.274 -3.221 -7.632 1.00 0.00 H new ATOM 0 HE1 MET A 33 5.417 -1.704 -10.245 1.00 0.00 H new ATOM 0 HE2 MET A 33 5.155 -2.908 -8.961 1.00 0.00 H new ATOM 0 HE3 MET A 33 4.206 -2.990 -10.464 1.00 0.00 H new ATOM 461 N ASP A 34 -0.505 -2.977 -4.142 1.00 0.00 N ATOM 462 CA ASP A 34 -1.865 -2.809 -3.643 1.00 0.00 C ATOM 463 C ASP A 34 -2.884 -3.042 -4.754 1.00 0.00 C ATOM 464 O ASP A 34 -4.002 -2.529 -4.704 1.00 0.00 O ATOM 465 CB ASP A 34 -2.046 -1.409 -3.054 1.00 0.00 C ATOM 466 CG ASP A 34 -1.575 -1.322 -1.615 1.00 0.00 C ATOM 467 OD1 ASP A 34 -1.920 -2.223 -0.822 1.00 0.00 O ATOM 468 OD2 ASP A 34 -0.862 -0.352 -1.282 1.00 0.00 O ATOM 0 H ASP A 34 0.074 -3.606 -3.585 1.00 0.00 H new ATOM 0 HA ASP A 34 -2.032 -3.549 -2.860 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -1.494 -0.689 -3.658 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -3.098 -1.129 -3.107 1.00 0.00 H new ATOM 473 N THR A 35 -2.490 -3.819 -5.758 1.00 0.00 N ATOM 474 CA THR A 35 -3.367 -4.119 -6.883 1.00 0.00 C ATOM 475 C THR A 35 -3.160 -5.546 -7.377 1.00 0.00 C ATOM 476 O THR A 35 -2.381 -6.306 -6.802 1.00 0.00 O ATOM 477 CB THR A 35 -3.134 -3.144 -8.052 1.00 0.00 C ATOM 478 OG1 THR A 35 -4.262 -3.158 -8.934 1.00 0.00 O ATOM 479 CG2 THR A 35 -1.876 -3.514 -8.823 1.00 0.00 C ATOM 0 H THR A 35 -1.568 -4.252 -5.815 1.00 0.00 H new ATOM 0 HA THR A 35 -4.390 -4.007 -6.524 1.00 0.00 H new ATOM 0 HB THR A 35 -3.007 -2.142 -7.641 1.00 0.00 H new ATOM 0 HG1 THR A 35 -5.073 -3.365 -8.424 1.00 0.00 H new ATOM 0 HG21 THR A 35 -1.732 -2.811 -9.644 1.00 0.00 H new ATOM 0 HG22 THR A 35 -1.015 -3.473 -8.156 1.00 0.00 H new ATOM 0 HG23 THR A 35 -1.978 -4.523 -9.223 1.00 0.00 H new ATOM 487 N VAL A 36 -3.862 -5.904 -8.448 1.00 0.00 N ATOM 488 CA VAL A 36 -3.753 -7.240 -9.021 1.00 0.00 C ATOM 489 C VAL A 36 -3.044 -7.204 -10.370 1.00 0.00 C ATOM 490 O VAL A 36 -2.917 -6.147 -10.987 1.00 0.00 O ATOM 491 CB VAL A 36 -5.139 -7.889 -9.199 1.00 0.00 C ATOM 492 CG1 VAL A 36 -5.867 -7.968 -7.866 1.00 0.00 C ATOM 493 CG2 VAL A 36 -5.960 -7.116 -10.220 1.00 0.00 C ATOM 0 H VAL A 36 -4.512 -5.287 -8.936 1.00 0.00 H new ATOM 0 HA VAL A 36 -3.167 -7.837 -8.322 1.00 0.00 H new ATOM 0 HB VAL A 36 -5.001 -8.905 -9.570 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -6.844 -8.429 -8.012 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -5.283 -8.568 -7.168 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -5.996 -6.964 -7.462 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -6.936 -7.587 -10.334 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -6.091 -6.089 -9.879 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -5.442 -7.117 -11.179 1.00 0.00 H new ATOM 503 N TRP A 37 -2.583 -8.365 -10.821 1.00 0.00 N ATOM 504 CA TRP A 37 -1.886 -8.466 -12.098 1.00 0.00 C ATOM 505 C TRP A 37 -2.111 -9.833 -12.734 1.00 0.00 C ATOM 506 O TRP A 37 -2.801 -10.684 -12.172 1.00 0.00 O ATOM 507 CB TRP A 37 -0.389 -8.219 -11.906 1.00 0.00 C ATOM 508 CG TRP A 37 -0.079 -6.873 -11.324 1.00 0.00 C ATOM 509 CD1 TRP A 37 -0.148 -6.513 -10.009 1.00 0.00 C ATOM 510 CD2 TRP A 37 0.348 -5.708 -12.040 1.00 0.00 C ATOM 511 NE1 TRP A 37 0.209 -5.194 -9.863 1.00 0.00 N ATOM 512 CE2 TRP A 37 0.519 -4.678 -11.094 1.00 0.00 C ATOM 513 CE3 TRP A 37 0.604 -5.435 -13.386 1.00 0.00 C ATOM 514 CZ2 TRP A 37 0.933 -3.399 -11.454 1.00 0.00 C ATOM 515 CZ3 TRP A 37 1.015 -4.165 -13.742 1.00 0.00 C ATOM 516 CH2 TRP A 37 1.177 -3.160 -12.779 1.00 0.00 C ATOM 0 H TRP A 37 -2.679 -9.249 -10.322 1.00 0.00 H new ATOM 0 HA TRP A 37 -2.290 -7.705 -12.766 1.00 0.00 H new ATOM 0 HB2 TRP A 37 0.019 -8.991 -11.254 1.00 0.00 H new ATOM 0 HB3 TRP A 37 0.114 -8.316 -12.868 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -0.440 -7.168 -9.202 1.00 0.00 H new ATOM 0 HE1 TRP A 37 0.238 -4.682 -8.981 1.00 0.00 H new ATOM 0 HE3 TRP A 37 0.483 -6.203 -14.135 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 1.057 -2.623 -10.714 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 1.215 -3.943 -14.780 1.00 0.00 H new ATOM 0 HH2 TRP A 37 1.501 -2.177 -13.089 1.00 0.00 H new ATOM 527 N HIS A 38 -1.524 -10.039 -13.909 1.00 0.00 N ATOM 528 CA HIS A 38 -1.660 -11.305 -14.620 1.00 0.00 C ATOM 529 C HIS A 38 -0.350 -12.086 -14.594 1.00 0.00 C ATOM 530 O HIS A 38 0.740 -11.522 -14.695 1.00 0.00 O ATOM 531 CB HIS A 38 -2.091 -11.057 -16.066 1.00 0.00 C ATOM 532 CG HIS A 38 -3.577 -11.024 -16.251 1.00 0.00 C ATOM 533 ND1 HIS A 38 -4.208 -10.157 -17.118 1.00 0.00 N ATOM 534 CD2 HIS A 38 -4.557 -11.759 -15.676 1.00 0.00 C ATOM 535 CE1 HIS A 38 -5.513 -10.360 -17.067 1.00 0.00 C ATOM 536 NE2 HIS A 38 -5.751 -11.327 -16.199 1.00 0.00 N ATOM 0 H HIS A 38 -0.950 -9.346 -14.388 1.00 0.00 H new ATOM 0 HA HIS A 38 -2.425 -11.896 -14.117 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -1.670 -10.110 -16.405 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -1.671 -11.838 -16.700 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -4.425 -12.540 -14.942 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -6.258 -9.826 -17.638 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -6.672 -11.693 -15.957 1.00 0.00 H new ATOM 544 N PRO A 39 -0.456 -13.416 -14.456 1.00 0.00 N ATOM 545 CA PRO A 39 0.710 -14.303 -14.413 1.00 0.00 C ATOM 546 C PRO A 39 1.413 -14.402 -15.762 1.00 0.00 C ATOM 547 O PRO A 39 2.286 -15.248 -15.957 1.00 0.00 O ATOM 548 CB PRO A 39 0.112 -15.657 -14.021 1.00 0.00 C ATOM 549 CG PRO A 39 -1.304 -15.592 -14.481 1.00 0.00 C ATOM 550 CD PRO A 39 -1.723 -14.156 -14.331 1.00 0.00 C ATOM 0 HA PRO A 39 1.471 -13.942 -13.722 1.00 0.00 H new ATOM 0 HB2 PRO A 39 0.646 -16.479 -14.498 1.00 0.00 H new ATOM 0 HB3 PRO A 39 0.172 -15.820 -12.945 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -1.393 -15.918 -15.517 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -1.938 -16.248 -13.885 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -2.437 -13.863 -15.101 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -2.201 -13.975 -13.368 1.00 0.00 H new ATOM 558 N GLU A 40 1.028 -13.531 -16.690 1.00 0.00 N ATOM 559 CA GLU A 40 1.623 -13.522 -18.022 1.00 0.00 C ATOM 560 C GLU A 40 2.115 -12.125 -18.388 1.00 0.00 C ATOM 561 O GLU A 40 3.106 -11.971 -19.103 1.00 0.00 O ATOM 562 CB GLU A 40 0.609 -14.006 -19.061 1.00 0.00 C ATOM 563 CG GLU A 40 -0.116 -15.279 -18.656 1.00 0.00 C ATOM 564 CD GLU A 40 0.832 -16.432 -18.394 1.00 0.00 C ATOM 565 OE1 GLU A 40 1.898 -16.484 -19.041 1.00 0.00 O ATOM 566 OE2 GLU A 40 0.507 -17.284 -17.539 1.00 0.00 O ATOM 0 H GLU A 40 0.308 -12.823 -16.544 1.00 0.00 H new ATOM 0 HA GLU A 40 2.477 -14.199 -18.015 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -0.125 -13.219 -19.234 1.00 0.00 H new ATOM 0 HB3 GLU A 40 1.123 -14.176 -20.007 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -0.705 -15.087 -17.759 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -0.815 -15.560 -19.443 1.00 0.00 H new ATOM 573 N CYS A 41 1.415 -11.109 -17.893 1.00 0.00 N ATOM 574 CA CYS A 41 1.778 -9.724 -18.168 1.00 0.00 C ATOM 575 C CYS A 41 2.797 -9.217 -17.151 1.00 0.00 C ATOM 576 O CYS A 41 3.789 -8.583 -17.513 1.00 0.00 O ATOM 577 CB CYS A 41 0.534 -8.835 -18.147 1.00 0.00 C ATOM 578 SG CYS A 41 -0.956 -9.625 -18.835 1.00 0.00 S ATOM 0 H CYS A 41 0.593 -11.219 -17.299 1.00 0.00 H new ATOM 0 HA CYS A 41 2.229 -9.682 -19.160 1.00 0.00 H new ATOM 0 HB2 CYS A 41 0.332 -8.536 -17.119 1.00 0.00 H new ATOM 0 HB3 CYS A 41 0.742 -7.924 -18.709 1.00 0.00 H new ATOM 583 N PHE A 42 2.545 -9.500 -15.878 1.00 0.00 N ATOM 584 CA PHE A 42 3.438 -9.072 -14.808 1.00 0.00 C ATOM 585 C PHE A 42 4.887 -9.424 -15.136 1.00 0.00 C ATOM 586 O PHE A 42 5.330 -10.550 -14.910 1.00 0.00 O ATOM 587 CB PHE A 42 3.031 -9.722 -13.484 1.00 0.00 C ATOM 588 CG PHE A 42 3.554 -9.000 -12.275 1.00 0.00 C ATOM 589 CD1 PHE A 42 3.311 -7.647 -12.101 1.00 0.00 C ATOM 590 CD2 PHE A 42 4.290 -9.674 -11.314 1.00 0.00 C ATOM 591 CE1 PHE A 42 3.792 -6.980 -10.990 1.00 0.00 C ATOM 592 CE2 PHE A 42 4.773 -9.012 -10.201 1.00 0.00 C ATOM 593 CZ PHE A 42 4.523 -7.663 -10.038 1.00 0.00 C ATOM 0 H PHE A 42 1.729 -10.024 -15.562 1.00 0.00 H new ATOM 0 HA PHE A 42 3.358 -7.989 -14.713 1.00 0.00 H new ATOM 0 HB2 PHE A 42 1.943 -9.765 -13.429 1.00 0.00 H new ATOM 0 HB3 PHE A 42 3.392 -10.750 -13.467 1.00 0.00 H new ATOM 0 HD1 PHE A 42 2.739 -7.108 -12.842 1.00 0.00 H new ATOM 0 HD2 PHE A 42 4.489 -10.729 -11.436 1.00 0.00 H new ATOM 0 HE1 PHE A 42 3.596 -5.925 -10.866 1.00 0.00 H new ATOM 0 HE2 PHE A 42 5.346 -9.549 -9.459 1.00 0.00 H new ATOM 0 HZ PHE A 42 4.898 -7.144 -9.168 1.00 0.00 H new ATOM 603 N VAL A 43 5.619 -8.452 -15.670 1.00 0.00 N ATOM 604 CA VAL A 43 7.017 -8.658 -16.029 1.00 0.00 C ATOM 605 C VAL A 43 7.800 -7.351 -15.960 1.00 0.00 C ATOM 606 O VAL A 43 7.227 -6.282 -15.749 1.00 0.00 O ATOM 607 CB VAL A 43 7.152 -9.250 -17.445 1.00 0.00 C ATOM 608 CG1 VAL A 43 6.352 -10.538 -17.563 1.00 0.00 C ATOM 609 CG2 VAL A 43 6.707 -8.238 -18.490 1.00 0.00 C ATOM 0 H VAL A 43 5.267 -7.514 -15.864 1.00 0.00 H new ATOM 0 HA VAL A 43 7.428 -9.364 -15.307 1.00 0.00 H new ATOM 0 HB VAL A 43 8.201 -9.485 -17.624 1.00 0.00 H new ATOM 0 HG11 VAL A 43 6.459 -10.942 -18.570 1.00 0.00 H new ATOM 0 HG12 VAL A 43 6.723 -11.264 -16.839 1.00 0.00 H new ATOM 0 HG13 VAL A 43 5.300 -10.332 -17.365 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.809 -8.673 -19.484 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.665 -7.970 -18.316 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.328 -7.345 -18.419 1.00 0.00 H new ATOM 619 N CYS A 44 9.113 -7.445 -16.139 1.00 0.00 N ATOM 620 CA CYS A 44 9.977 -6.271 -16.097 1.00 0.00 C ATOM 621 C CYS A 44 9.532 -5.232 -17.123 1.00 0.00 C ATOM 622 O CYS A 44 8.736 -5.525 -18.014 1.00 0.00 O ATOM 623 CB CYS A 44 11.430 -6.671 -16.359 1.00 0.00 C ATOM 624 SG CYS A 44 12.640 -5.361 -15.987 1.00 0.00 S ATOM 0 H CYS A 44 9.602 -8.322 -16.315 1.00 0.00 H new ATOM 0 HA CYS A 44 9.902 -5.831 -15.103 1.00 0.00 H new ATOM 0 HB2 CYS A 44 11.667 -7.551 -15.760 1.00 0.00 H new ATOM 0 HB3 CYS A 44 11.533 -6.960 -17.405 1.00 0.00 H new ATOM 629 N GLY A 45 10.052 -4.015 -16.988 1.00 0.00 N ATOM 630 CA GLY A 45 9.698 -2.951 -17.909 1.00 0.00 C ATOM 631 C GLY A 45 10.726 -2.768 -19.008 1.00 0.00 C ATOM 632 O GLY A 45 10.417 -2.236 -20.074 1.00 0.00 O ATOM 0 H GLY A 45 10.712 -3.748 -16.257 1.00 0.00 H new ATOM 0 HA2 GLY A 45 8.728 -3.170 -18.356 1.00 0.00 H new ATOM 0 HA3 GLY A 45 9.591 -2.017 -17.357 1.00 0.00 H new ATOM 636 N ASP A 46 11.952 -3.209 -18.748 1.00 0.00 N ATOM 637 CA ASP A 46 13.029 -3.091 -19.723 1.00 0.00 C ATOM 638 C ASP A 46 13.251 -4.413 -20.451 1.00 0.00 C ATOM 639 O ASP A 46 13.066 -4.504 -21.665 1.00 0.00 O ATOM 640 CB ASP A 46 14.322 -2.650 -19.035 1.00 0.00 C ATOM 641 CG ASP A 46 14.443 -1.142 -18.940 1.00 0.00 C ATOM 642 OD1 ASP A 46 14.101 -0.457 -19.926 1.00 0.00 O ATOM 643 OD2 ASP A 46 14.880 -0.647 -17.879 1.00 0.00 O ATOM 0 H ASP A 46 12.224 -3.651 -17.870 1.00 0.00 H new ATOM 0 HA ASP A 46 12.741 -2.338 -20.456 1.00 0.00 H new ATOM 0 HB2 ASP A 46 14.361 -3.078 -18.033 1.00 0.00 H new ATOM 0 HB3 ASP A 46 15.176 -3.046 -19.585 1.00 0.00 H new ATOM 648 N CYS A 47 13.649 -5.436 -19.701 1.00 0.00 N ATOM 649 CA CYS A 47 13.898 -6.753 -20.274 1.00 0.00 C ATOM 650 C CYS A 47 12.599 -7.544 -20.404 1.00 0.00 C ATOM 651 O CYS A 47 12.542 -8.554 -21.107 1.00 0.00 O ATOM 652 CB CYS A 47 14.895 -7.528 -19.411 1.00 0.00 C ATOM 653 SG CYS A 47 14.259 -7.980 -17.765 1.00 0.00 S ATOM 0 H CYS A 47 13.806 -5.378 -18.695 1.00 0.00 H new ATOM 0 HA CYS A 47 14.320 -6.614 -21.269 1.00 0.00 H new ATOM 0 HB2 CYS A 47 15.186 -8.436 -19.938 1.00 0.00 H new ATOM 0 HB3 CYS A 47 15.796 -6.928 -19.288 1.00 0.00 H new ATOM 658 N PHE A 48 11.558 -7.077 -19.723 1.00 0.00 N ATOM 659 CA PHE A 48 10.260 -7.740 -19.761 1.00 0.00 C ATOM 660 C PHE A 48 10.397 -9.224 -19.433 1.00 0.00 C ATOM 661 O PHE A 48 9.939 -10.084 -20.186 1.00 0.00 O ATOM 662 CB PHE A 48 9.616 -7.568 -21.139 1.00 0.00 C ATOM 663 CG PHE A 48 9.194 -6.157 -21.431 1.00 0.00 C ATOM 664 CD1 PHE A 48 8.078 -5.613 -20.815 1.00 0.00 C ATOM 665 CD2 PHE A 48 9.912 -5.374 -22.320 1.00 0.00 C ATOM 666 CE1 PHE A 48 7.686 -4.314 -21.083 1.00 0.00 C ATOM 667 CE2 PHE A 48 9.526 -4.075 -22.591 1.00 0.00 C ATOM 668 CZ PHE A 48 8.412 -3.544 -21.971 1.00 0.00 C ATOM 0 H PHE A 48 11.588 -6.242 -19.138 1.00 0.00 H new ATOM 0 HA PHE A 48 9.622 -7.277 -19.008 1.00 0.00 H new ATOM 0 HB2 PHE A 48 10.321 -7.894 -21.904 1.00 0.00 H new ATOM 0 HB3 PHE A 48 8.746 -8.221 -21.209 1.00 0.00 H new ATOM 0 HD1 PHE A 48 7.508 -6.210 -20.118 1.00 0.00 H new ATOM 0 HD2 PHE A 48 10.784 -5.784 -22.807 1.00 0.00 H new ATOM 0 HE1 PHE A 48 6.813 -3.902 -20.599 1.00 0.00 H new ATOM 0 HE2 PHE A 48 10.095 -3.476 -23.287 1.00 0.00 H new ATOM 0 HZ PHE A 48 8.109 -2.529 -22.180 1.00 0.00 H new ATOM 678 N THR A 49 11.034 -9.518 -18.303 1.00 0.00 N ATOM 679 CA THR A 49 11.234 -10.897 -17.875 1.00 0.00 C ATOM 680 C THR A 49 10.173 -11.318 -16.865 1.00 0.00 C ATOM 681 O THR A 49 9.717 -10.510 -16.056 1.00 0.00 O ATOM 682 CB THR A 49 12.628 -11.094 -17.252 1.00 0.00 C ATOM 683 OG1 THR A 49 12.883 -12.489 -17.053 1.00 0.00 O ATOM 684 CG2 THR A 49 12.737 -10.360 -15.924 1.00 0.00 C ATOM 0 H THR A 49 11.420 -8.819 -17.668 1.00 0.00 H new ATOM 0 HA THR A 49 11.151 -11.520 -18.765 1.00 0.00 H new ATOM 0 HB THR A 49 13.369 -10.683 -17.938 1.00 0.00 H new ATOM 0 HG1 THR A 49 13.772 -12.606 -16.658 1.00 0.00 H new ATOM 0 HG21 THR A 49 13.731 -10.514 -15.503 1.00 0.00 H new ATOM 0 HG22 THR A 49 12.572 -9.294 -16.083 1.00 0.00 H new ATOM 0 HG23 THR A 49 11.987 -10.745 -15.233 1.00 0.00 H new ATOM 692 N SER A 50 9.786 -12.589 -16.916 1.00 0.00 N ATOM 693 CA SER A 50 8.776 -13.117 -16.006 1.00 0.00 C ATOM 694 C SER A 50 9.334 -13.250 -14.592 1.00 0.00 C ATOM 695 O SER A 50 10.528 -13.486 -14.404 1.00 0.00 O ATOM 696 CB SER A 50 8.276 -14.476 -16.499 1.00 0.00 C ATOM 697 OG SER A 50 7.230 -14.963 -15.677 1.00 0.00 O ATOM 0 H SER A 50 10.156 -13.272 -17.577 1.00 0.00 H new ATOM 0 HA SER A 50 7.941 -12.417 -15.984 1.00 0.00 H new ATOM 0 HB2 SER A 50 7.924 -14.386 -17.527 1.00 0.00 H new ATOM 0 HB3 SER A 50 9.100 -15.190 -16.506 1.00 0.00 H new ATOM 0 HG SER A 50 6.927 -15.832 -16.014 1.00 0.00 H new ATOM 703 N PHE A 51 8.462 -13.095 -13.602 1.00 0.00 N ATOM 704 CA PHE A 51 8.867 -13.196 -12.204 1.00 0.00 C ATOM 705 C PHE A 51 8.272 -14.442 -11.555 1.00 0.00 C ATOM 706 O PHE A 51 7.239 -14.375 -10.889 1.00 0.00 O ATOM 707 CB PHE A 51 8.432 -11.948 -11.433 1.00 0.00 C ATOM 708 CG PHE A 51 8.832 -10.662 -12.099 1.00 0.00 C ATOM 709 CD1 PHE A 51 10.169 -10.334 -12.253 1.00 0.00 C ATOM 710 CD2 PHE A 51 7.871 -9.782 -12.570 1.00 0.00 C ATOM 711 CE1 PHE A 51 10.540 -9.151 -12.866 1.00 0.00 C ATOM 712 CE2 PHE A 51 8.236 -8.599 -13.183 1.00 0.00 C ATOM 713 CZ PHE A 51 9.573 -8.283 -13.330 1.00 0.00 C ATOM 0 H PHE A 51 7.471 -12.899 -13.741 1.00 0.00 H new ATOM 0 HA PHE A 51 9.954 -13.274 -12.171 1.00 0.00 H new ATOM 0 HB2 PHE A 51 7.349 -11.964 -11.313 1.00 0.00 H new ATOM 0 HB3 PHE A 51 8.864 -11.980 -10.433 1.00 0.00 H new ATOM 0 HD1 PHE A 51 10.930 -11.009 -11.890 1.00 0.00 H new ATOM 0 HD2 PHE A 51 6.825 -10.024 -12.457 1.00 0.00 H new ATOM 0 HE1 PHE A 51 11.586 -8.907 -12.981 1.00 0.00 H new ATOM 0 HE2 PHE A 51 7.477 -7.922 -13.547 1.00 0.00 H new ATOM 0 HZ PHE A 51 9.861 -7.358 -13.807 1.00 0.00 H new ATOM 723 N SER A 52 8.932 -15.578 -11.754 1.00 0.00 N ATOM 724 CA SER A 52 8.468 -16.841 -11.192 1.00 0.00 C ATOM 725 C SER A 52 9.523 -17.448 -10.272 1.00 0.00 C ATOM 726 O SER A 52 9.249 -17.757 -9.112 1.00 0.00 O ATOM 727 CB SER A 52 8.124 -17.826 -12.311 1.00 0.00 C ATOM 728 OG SER A 52 7.335 -18.897 -11.823 1.00 0.00 O ATOM 0 H SER A 52 9.790 -15.650 -12.300 1.00 0.00 H new ATOM 0 HA SER A 52 7.572 -16.641 -10.605 1.00 0.00 H new ATOM 0 HB2 SER A 52 7.587 -17.307 -13.105 1.00 0.00 H new ATOM 0 HB3 SER A 52 9.042 -18.217 -12.750 1.00 0.00 H new ATOM 0 HG SER A 52 7.127 -19.511 -12.558 1.00 0.00 H new ATOM 734 N THR A 53 10.732 -17.615 -10.798 1.00 0.00 N ATOM 735 CA THR A 53 11.829 -18.185 -10.027 1.00 0.00 C ATOM 736 C THR A 53 11.910 -17.559 -8.640 1.00 0.00 C ATOM 737 O THR A 53 12.081 -18.257 -7.642 1.00 0.00 O ATOM 738 CB THR A 53 13.179 -17.993 -10.744 1.00 0.00 C ATOM 739 OG1 THR A 53 14.231 -18.591 -9.977 1.00 0.00 O ATOM 740 CG2 THR A 53 13.475 -16.516 -10.954 1.00 0.00 C ATOM 0 H THR A 53 10.976 -17.363 -11.756 1.00 0.00 H new ATOM 0 HA THR A 53 11.626 -19.251 -9.930 1.00 0.00 H new ATOM 0 HB THR A 53 13.120 -18.478 -11.718 1.00 0.00 H new ATOM 0 HG1 THR A 53 15.085 -18.466 -10.440 1.00 0.00 H new ATOM 0 HG21 THR A 53 14.433 -16.406 -11.462 1.00 0.00 H new ATOM 0 HG22 THR A 53 12.688 -16.070 -11.563 1.00 0.00 H new ATOM 0 HG23 THR A 53 13.516 -16.012 -9.988 1.00 0.00 H new ATOM 748 N GLY A 54 11.784 -16.236 -8.584 1.00 0.00 N ATOM 749 CA GLY A 54 11.845 -15.538 -7.314 1.00 0.00 C ATOM 750 C GLY A 54 10.802 -14.443 -7.203 1.00 0.00 C ATOM 751 O GLY A 54 9.750 -14.513 -7.838 1.00 0.00 O ATOM 0 H GLY A 54 11.641 -15.636 -9.396 1.00 0.00 H new ATOM 0 HA2 GLY A 54 11.705 -16.253 -6.503 1.00 0.00 H new ATOM 0 HA3 GLY A 54 12.837 -15.104 -7.189 1.00 0.00 H new ATOM 755 N SER A 55 11.093 -13.430 -6.394 1.00 0.00 N ATOM 756 CA SER A 55 10.170 -12.318 -6.197 1.00 0.00 C ATOM 757 C SER A 55 10.471 -11.184 -7.172 1.00 0.00 C ATOM 758 O SER A 55 11.416 -11.259 -7.957 1.00 0.00 O ATOM 759 CB SER A 55 10.254 -11.806 -4.759 1.00 0.00 C ATOM 760 OG SER A 55 9.784 -12.779 -3.842 1.00 0.00 O ATOM 0 H SER A 55 11.961 -13.356 -5.864 1.00 0.00 H new ATOM 0 HA SER A 55 9.159 -12.679 -6.387 1.00 0.00 H new ATOM 0 HB2 SER A 55 11.286 -11.547 -4.522 1.00 0.00 H new ATOM 0 HB3 SER A 55 9.665 -10.894 -4.660 1.00 0.00 H new ATOM 0 HG SER A 55 9.850 -12.427 -2.930 1.00 0.00 H new ATOM 766 N PHE A 56 9.660 -10.133 -7.116 1.00 0.00 N ATOM 767 CA PHE A 56 9.837 -8.982 -7.993 1.00 0.00 C ATOM 768 C PHE A 56 10.105 -7.717 -7.184 1.00 0.00 C ATOM 769 O PHE A 56 9.693 -7.607 -6.028 1.00 0.00 O ATOM 770 CB PHE A 56 8.599 -8.787 -8.870 1.00 0.00 C ATOM 771 CG PHE A 56 7.545 -7.924 -8.237 1.00 0.00 C ATOM 772 CD1 PHE A 56 7.564 -6.548 -8.406 1.00 0.00 C ATOM 773 CD2 PHE A 56 6.536 -8.487 -7.473 1.00 0.00 C ATOM 774 CE1 PHE A 56 6.597 -5.752 -7.824 1.00 0.00 C ATOM 775 CE2 PHE A 56 5.565 -7.696 -6.889 1.00 0.00 C ATOM 776 CZ PHE A 56 5.595 -6.326 -7.065 1.00 0.00 C ATOM 0 H PHE A 56 8.873 -10.055 -6.472 1.00 0.00 H new ATOM 0 HA PHE A 56 10.700 -9.173 -8.631 1.00 0.00 H new ATOM 0 HB2 PHE A 56 8.902 -8.341 -9.817 1.00 0.00 H new ATOM 0 HB3 PHE A 56 8.169 -9.762 -9.100 1.00 0.00 H new ATOM 0 HD1 PHE A 56 8.344 -6.094 -8.999 1.00 0.00 H new ATOM 0 HD2 PHE A 56 6.508 -9.557 -7.332 1.00 0.00 H new ATOM 0 HE1 PHE A 56 6.624 -4.681 -7.962 1.00 0.00 H new ATOM 0 HE2 PHE A 56 4.784 -8.148 -6.296 1.00 0.00 H new ATOM 0 HZ PHE A 56 4.837 -5.705 -6.610 1.00 0.00 H new ATOM 786 N PHE A 57 10.798 -6.764 -7.798 1.00 0.00 N ATOM 787 CA PHE A 57 11.123 -5.506 -7.135 1.00 0.00 C ATOM 788 C PHE A 57 10.435 -4.333 -7.826 1.00 0.00 C ATOM 789 O PHE A 57 10.655 -4.082 -9.011 1.00 0.00 O ATOM 790 CB PHE A 57 12.638 -5.289 -7.123 1.00 0.00 C ATOM 791 CG PHE A 57 13.394 -6.372 -6.408 1.00 0.00 C ATOM 792 CD1 PHE A 57 13.427 -6.414 -5.023 1.00 0.00 C ATOM 793 CD2 PHE A 57 14.071 -7.348 -7.120 1.00 0.00 C ATOM 794 CE1 PHE A 57 14.121 -7.410 -4.362 1.00 0.00 C ATOM 795 CE2 PHE A 57 14.766 -8.347 -6.464 1.00 0.00 C ATOM 796 CZ PHE A 57 14.792 -8.377 -5.084 1.00 0.00 C ATOM 0 H PHE A 57 11.146 -6.839 -8.754 1.00 0.00 H new ATOM 0 HA PHE A 57 10.762 -5.561 -6.108 1.00 0.00 H new ATOM 0 HB2 PHE A 57 12.996 -5.225 -8.151 1.00 0.00 H new ATOM 0 HB3 PHE A 57 12.856 -4.332 -6.650 1.00 0.00 H new ATOM 0 HD1 PHE A 57 12.904 -5.660 -4.454 1.00 0.00 H new ATOM 0 HD2 PHE A 57 14.056 -7.329 -8.200 1.00 0.00 H new ATOM 0 HE1 PHE A 57 14.138 -7.432 -3.282 1.00 0.00 H new ATOM 0 HE2 PHE A 57 15.288 -9.104 -7.031 1.00 0.00 H new ATOM 0 HZ PHE A 57 15.336 -9.155 -4.570 1.00 0.00 H new ATOM 806 N GLU A 58 9.601 -3.619 -7.077 1.00 0.00 N ATOM 807 CA GLU A 58 8.879 -2.474 -7.618 1.00 0.00 C ATOM 808 C GLU A 58 9.771 -1.236 -7.654 1.00 0.00 C ATOM 809 O GLU A 58 10.187 -0.726 -6.613 1.00 0.00 O ATOM 810 CB GLU A 58 7.628 -2.190 -6.784 1.00 0.00 C ATOM 811 CG GLU A 58 6.898 -0.922 -7.194 1.00 0.00 C ATOM 812 CD GLU A 58 5.838 -0.509 -6.191 1.00 0.00 C ATOM 813 OE1 GLU A 58 5.969 -0.875 -5.004 1.00 0.00 O ATOM 814 OE2 GLU A 58 4.878 0.180 -6.594 1.00 0.00 O ATOM 0 H GLU A 58 9.409 -3.813 -6.094 1.00 0.00 H new ATOM 0 HA GLU A 58 8.580 -2.715 -8.638 1.00 0.00 H new ATOM 0 HB2 GLU A 58 6.945 -3.036 -6.869 1.00 0.00 H new ATOM 0 HB3 GLU A 58 7.911 -2.113 -5.734 1.00 0.00 H new ATOM 0 HG2 GLU A 58 7.619 -0.113 -7.309 1.00 0.00 H new ATOM 0 HG3 GLU A 58 6.432 -1.074 -8.168 1.00 0.00 H new ATOM 821 N LEU A 59 10.062 -0.759 -8.859 1.00 0.00 N ATOM 822 CA LEU A 59 10.906 0.419 -9.033 1.00 0.00 C ATOM 823 C LEU A 59 10.171 1.506 -9.811 1.00 0.00 C ATOM 824 O LEU A 59 9.643 1.258 -10.895 1.00 0.00 O ATOM 825 CB LEU A 59 12.199 0.042 -9.759 1.00 0.00 C ATOM 826 CG LEU A 59 13.442 0.845 -9.374 1.00 0.00 C ATOM 827 CD1 LEU A 59 13.332 2.275 -9.878 1.00 0.00 C ATOM 828 CD2 LEU A 59 13.646 0.823 -7.866 1.00 0.00 C ATOM 0 H LEU A 59 9.726 -1.169 -9.730 1.00 0.00 H new ATOM 0 HA LEU A 59 11.152 0.808 -8.045 1.00 0.00 H new ATOM 0 HB2 LEU A 59 12.401 -1.013 -9.575 1.00 0.00 H new ATOM 0 HB3 LEU A 59 12.036 0.153 -10.831 1.00 0.00 H new ATOM 0 HG LEU A 59 14.309 0.382 -9.845 1.00 0.00 H new ATOM 0 HD11 LEU A 59 14.226 2.831 -9.594 1.00 0.00 H new ATOM 0 HD12 LEU A 59 13.236 2.272 -10.964 1.00 0.00 H new ATOM 0 HD13 LEU A 59 12.455 2.749 -9.438 1.00 0.00 H new ATOM 0 HD21 LEU A 59 14.535 1.399 -7.611 1.00 0.00 H new ATOM 0 HD22 LEU A 59 12.777 1.260 -7.375 1.00 0.00 H new ATOM 0 HD23 LEU A 59 13.773 -0.206 -7.531 1.00 0.00 H new ATOM 840 N ASP A 60 10.141 2.710 -9.250 1.00 0.00 N ATOM 841 CA ASP A 60 9.473 3.836 -9.892 1.00 0.00 C ATOM 842 C ASP A 60 7.993 3.537 -10.111 1.00 0.00 C ATOM 843 O ASP A 60 7.391 4.008 -11.075 1.00 0.00 O ATOM 844 CB ASP A 60 10.144 4.160 -11.228 1.00 0.00 C ATOM 845 CG ASP A 60 10.085 5.637 -11.563 1.00 0.00 C ATOM 846 OD1 ASP A 60 9.041 6.266 -11.289 1.00 0.00 O ATOM 847 OD2 ASP A 60 11.081 6.164 -12.100 1.00 0.00 O ATOM 0 H ASP A 60 10.571 2.931 -8.352 1.00 0.00 H new ATOM 0 HA ASP A 60 9.557 4.700 -9.233 1.00 0.00 H new ATOM 0 HB2 ASP A 60 11.185 3.839 -11.195 1.00 0.00 H new ATOM 0 HB3 ASP A 60 9.660 3.591 -12.022 1.00 0.00 H new ATOM 852 N GLY A 61 7.414 2.751 -9.209 1.00 0.00 N ATOM 853 CA GLY A 61 6.010 2.402 -9.322 1.00 0.00 C ATOM 854 C GLY A 61 5.732 1.492 -10.502 1.00 0.00 C ATOM 855 O GLY A 61 4.645 1.528 -11.080 1.00 0.00 O ATOM 0 H GLY A 61 7.892 2.350 -8.402 1.00 0.00 H new ATOM 0 HA2 GLY A 61 5.686 1.911 -8.404 1.00 0.00 H new ATOM 0 HA3 GLY A 61 5.419 3.313 -9.422 1.00 0.00 H new ATOM 859 N ARG A 62 6.716 0.675 -10.862 1.00 0.00 N ATOM 860 CA ARG A 62 6.573 -0.246 -11.983 1.00 0.00 C ATOM 861 C ARG A 62 7.333 -1.543 -11.722 1.00 0.00 C ATOM 862 O ARG A 62 8.391 -1.555 -11.093 1.00 0.00 O ATOM 863 CB ARG A 62 7.080 0.403 -13.273 1.00 0.00 C ATOM 864 CG ARG A 62 6.207 1.548 -13.762 1.00 0.00 C ATOM 865 CD ARG A 62 6.726 2.123 -15.070 1.00 0.00 C ATOM 866 NE ARG A 62 7.745 3.147 -14.852 1.00 0.00 N ATOM 867 CZ ARG A 62 7.471 4.441 -14.727 1.00 0.00 C ATOM 868 NH1 ARG A 62 6.217 4.867 -14.798 1.00 0.00 N ATOM 869 NH2 ARG A 62 8.453 5.312 -14.530 1.00 0.00 N ATOM 0 H ARG A 62 7.621 0.632 -10.394 1.00 0.00 H new ATOM 0 HA ARG A 62 5.514 -0.481 -12.094 1.00 0.00 H new ATOM 0 HB2 ARG A 62 8.092 0.773 -13.110 1.00 0.00 H new ATOM 0 HB3 ARG A 62 7.140 -0.356 -14.053 1.00 0.00 H new ATOM 0 HG2 ARG A 62 5.185 1.195 -13.898 1.00 0.00 H new ATOM 0 HG3 ARG A 62 6.175 2.332 -13.005 1.00 0.00 H new ATOM 0 HD2 ARG A 62 7.143 1.321 -15.679 1.00 0.00 H new ATOM 0 HD3 ARG A 62 5.896 2.551 -15.632 1.00 0.00 H new ATOM 0 HE ARG A 62 8.720 2.852 -14.793 1.00 0.00 H new ATOM 0 HH11 ARG A 62 5.460 4.201 -14.949 1.00 0.00 H new ATOM 0 HH12 ARG A 62 6.010 5.861 -14.702 1.00 0.00 H new ATOM 0 HH21 ARG A 62 9.419 4.988 -14.475 1.00 0.00 H new ATOM 0 HH22 ARG A 62 8.242 6.305 -14.434 1.00 0.00 H new ATOM 883 N PRO A 63 6.781 -2.662 -12.214 1.00 0.00 N ATOM 884 CA PRO A 63 7.390 -3.985 -12.046 1.00 0.00 C ATOM 885 C PRO A 63 8.670 -4.142 -12.859 1.00 0.00 C ATOM 886 O PRO A 63 8.649 -4.073 -14.088 1.00 0.00 O ATOM 887 CB PRO A 63 6.310 -4.940 -12.560 1.00 0.00 C ATOM 888 CG PRO A 63 5.505 -4.126 -13.513 1.00 0.00 C ATOM 889 CD PRO A 63 5.521 -2.722 -12.973 1.00 0.00 C ATOM 0 HA PRO A 63 7.685 -4.169 -11.013 1.00 0.00 H new ATOM 0 HB2 PRO A 63 6.750 -5.806 -13.054 1.00 0.00 H new ATOM 0 HB3 PRO A 63 5.694 -5.317 -11.744 1.00 0.00 H new ATOM 0 HG2 PRO A 63 5.931 -4.164 -14.515 1.00 0.00 H new ATOM 0 HG3 PRO A 63 4.486 -4.505 -13.586 1.00 0.00 H new ATOM 0 HD2 PRO A 63 5.499 -1.983 -13.774 1.00 0.00 H new ATOM 0 HD3 PRO A 63 4.658 -2.527 -12.336 1.00 0.00 H new ATOM 897 N PHE A 64 9.784 -4.353 -12.165 1.00 0.00 N ATOM 898 CA PHE A 64 11.074 -4.519 -12.824 1.00 0.00 C ATOM 899 C PHE A 64 11.798 -5.756 -12.298 1.00 0.00 C ATOM 900 O PHE A 64 11.292 -6.460 -11.424 1.00 0.00 O ATOM 901 CB PHE A 64 11.943 -3.277 -12.611 1.00 0.00 C ATOM 902 CG PHE A 64 11.508 -2.095 -13.428 1.00 0.00 C ATOM 903 CD1 PHE A 64 11.697 -2.076 -14.800 1.00 0.00 C ATOM 904 CD2 PHE A 64 10.909 -1.001 -12.824 1.00 0.00 C ATOM 905 CE1 PHE A 64 11.298 -0.990 -15.555 1.00 0.00 C ATOM 906 CE2 PHE A 64 10.507 0.088 -13.574 1.00 0.00 C ATOM 907 CZ PHE A 64 10.703 0.095 -14.941 1.00 0.00 C ATOM 0 H PHE A 64 9.819 -4.413 -11.147 1.00 0.00 H new ATOM 0 HA PHE A 64 10.895 -4.650 -13.891 1.00 0.00 H new ATOM 0 HB2 PHE A 64 11.923 -3.006 -11.555 1.00 0.00 H new ATOM 0 HB3 PHE A 64 12.976 -3.519 -12.859 1.00 0.00 H new ATOM 0 HD1 PHE A 64 12.162 -2.921 -15.286 1.00 0.00 H new ATOM 0 HD2 PHE A 64 10.755 -0.999 -11.755 1.00 0.00 H new ATOM 0 HE1 PHE A 64 11.451 -0.989 -16.624 1.00 0.00 H new ATOM 0 HE2 PHE A 64 10.040 0.933 -13.091 1.00 0.00 H new ATOM 0 HZ PHE A 64 10.392 0.946 -15.528 1.00 0.00 H new ATOM 917 N CYS A 65 12.985 -6.013 -12.838 1.00 0.00 N ATOM 918 CA CYS A 65 13.779 -7.164 -12.425 1.00 0.00 C ATOM 919 C CYS A 65 15.046 -6.719 -11.701 1.00 0.00 C ATOM 920 O CYS A 65 15.713 -5.774 -12.121 1.00 0.00 O ATOM 921 CB CYS A 65 14.146 -8.018 -13.641 1.00 0.00 C ATOM 922 SG CYS A 65 15.529 -7.356 -14.624 1.00 0.00 S ATOM 0 H CYS A 65 13.418 -5.440 -13.562 1.00 0.00 H new ATOM 0 HA CYS A 65 13.180 -7.761 -11.737 1.00 0.00 H new ATOM 0 HB2 CYS A 65 14.403 -9.022 -13.302 1.00 0.00 H new ATOM 0 HB3 CYS A 65 13.270 -8.112 -14.283 1.00 0.00 H new ATOM 927 N GLU A 66 15.371 -7.408 -10.611 1.00 0.00 N ATOM 928 CA GLU A 66 16.558 -7.083 -9.829 1.00 0.00 C ATOM 929 C GLU A 66 17.637 -6.461 -10.710 1.00 0.00 C ATOM 930 O GLU A 66 18.045 -5.318 -10.500 1.00 0.00 O ATOM 931 CB GLU A 66 17.103 -8.337 -9.143 1.00 0.00 C ATOM 932 CG GLU A 66 18.011 -8.039 -7.962 1.00 0.00 C ATOM 933 CD GLU A 66 18.899 -9.214 -7.598 1.00 0.00 C ATOM 934 OE1 GLU A 66 18.490 -10.367 -7.845 1.00 0.00 O ATOM 935 OE2 GLU A 66 20.005 -8.978 -7.067 1.00 0.00 O ATOM 0 H GLU A 66 14.830 -8.194 -10.250 1.00 0.00 H new ATOM 0 HA GLU A 66 16.273 -6.357 -9.068 1.00 0.00 H new ATOM 0 HB2 GLU A 66 16.266 -8.947 -8.802 1.00 0.00 H new ATOM 0 HB3 GLU A 66 17.654 -8.930 -9.873 1.00 0.00 H new ATOM 0 HG2 GLU A 66 18.634 -7.176 -8.196 1.00 0.00 H new ATOM 0 HG3 GLU A 66 17.402 -7.768 -7.100 1.00 0.00 H new ATOM 942 N LEU A 67 18.097 -7.222 -11.697 1.00 0.00 N ATOM 943 CA LEU A 67 19.130 -6.748 -12.612 1.00 0.00 C ATOM 944 C LEU A 67 18.946 -5.265 -12.919 1.00 0.00 C ATOM 945 O LEU A 67 19.752 -4.430 -12.506 1.00 0.00 O ATOM 946 CB LEU A 67 19.101 -7.557 -13.910 1.00 0.00 C ATOM 947 CG LEU A 67 19.999 -7.048 -15.038 1.00 0.00 C ATOM 948 CD1 LEU A 67 21.461 -7.323 -14.721 1.00 0.00 C ATOM 949 CD2 LEU A 67 19.608 -7.690 -16.361 1.00 0.00 C ATOM 0 H LEU A 67 17.771 -8.170 -11.884 1.00 0.00 H new ATOM 0 HA LEU A 67 20.098 -6.883 -12.129 1.00 0.00 H new ATOM 0 HB2 LEU A 67 19.386 -8.584 -13.681 1.00 0.00 H new ATOM 0 HB3 LEU A 67 18.074 -7.585 -14.274 1.00 0.00 H new ATOM 0 HG LEU A 67 19.864 -5.970 -15.126 1.00 0.00 H new ATOM 0 HD11 LEU A 67 22.085 -6.954 -15.535 1.00 0.00 H new ATOM 0 HD12 LEU A 67 21.734 -6.816 -13.795 1.00 0.00 H new ATOM 0 HD13 LEU A 67 21.613 -8.396 -14.605 1.00 0.00 H new ATOM 0 HD21 LEU A 67 20.257 -7.316 -17.153 1.00 0.00 H new ATOM 0 HD22 LEU A 67 19.714 -8.772 -16.286 1.00 0.00 H new ATOM 0 HD23 LEU A 67 18.572 -7.442 -16.594 1.00 0.00 H new ATOM 961 N HIS A 68 17.880 -4.944 -13.644 1.00 0.00 N ATOM 962 CA HIS A 68 17.588 -3.561 -14.004 1.00 0.00 C ATOM 963 C HIS A 68 17.329 -2.718 -12.759 1.00 0.00 C ATOM 964 O HIS A 68 17.946 -1.671 -12.566 1.00 0.00 O ATOM 965 CB HIS A 68 16.378 -3.499 -14.937 1.00 0.00 C ATOM 966 CG HIS A 68 16.738 -3.571 -16.389 1.00 0.00 C ATOM 967 ND1 HIS A 68 16.369 -4.620 -17.204 1.00 0.00 N ATOM 968 CD2 HIS A 68 17.435 -2.715 -17.172 1.00 0.00 C ATOM 969 CE1 HIS A 68 16.826 -4.407 -18.426 1.00 0.00 C ATOM 970 NE2 HIS A 68 17.476 -3.257 -18.433 1.00 0.00 N ATOM 0 H HIS A 68 17.204 -5.623 -13.994 1.00 0.00 H new ATOM 0 HA HIS A 68 18.457 -3.155 -14.521 1.00 0.00 H new ATOM 0 HB2 HIS A 68 15.702 -4.320 -14.697 1.00 0.00 H new ATOM 0 HB3 HIS A 68 15.833 -2.573 -14.751 1.00 0.00 H new ATOM 0 HD2 HIS A 68 17.877 -1.779 -16.863 1.00 0.00 H new ATOM 0 HE1 HIS A 68 16.691 -5.062 -19.274 1.00 0.00 H new ATOM 0 HE2 HIS A 68 17.934 -2.840 -19.243 1.00 0.00 H new ATOM 978 N TYR A 69 16.412 -3.182 -11.917 1.00 0.00 N ATOM 979 CA TYR A 69 16.069 -2.470 -10.692 1.00 0.00 C ATOM 980 C TYR A 69 17.281 -1.729 -10.135 1.00 0.00 C ATOM 981 O TYR A 69 17.227 -0.524 -9.887 1.00 0.00 O ATOM 982 CB TYR A 69 15.528 -3.445 -9.644 1.00 0.00 C ATOM 983 CG TYR A 69 15.545 -2.892 -8.237 1.00 0.00 C ATOM 984 CD1 TYR A 69 16.657 -3.051 -7.420 1.00 0.00 C ATOM 985 CD2 TYR A 69 14.448 -2.210 -7.725 1.00 0.00 C ATOM 986 CE1 TYR A 69 16.676 -2.549 -6.134 1.00 0.00 C ATOM 987 CE2 TYR A 69 14.459 -1.703 -6.440 1.00 0.00 C ATOM 988 CZ TYR A 69 15.575 -1.875 -5.648 1.00 0.00 C ATOM 989 OH TYR A 69 15.591 -1.372 -4.367 1.00 0.00 O ATOM 0 H TYR A 69 15.893 -4.048 -12.061 1.00 0.00 H new ATOM 0 HA TYR A 69 15.297 -1.739 -10.931 1.00 0.00 H new ATOM 0 HB2 TYR A 69 14.506 -3.717 -9.906 1.00 0.00 H new ATOM 0 HB3 TYR A 69 16.119 -4.361 -9.673 1.00 0.00 H new ATOM 0 HD1 TYR A 69 17.522 -3.576 -7.797 1.00 0.00 H new ATOM 0 HD2 TYR A 69 13.572 -2.074 -8.342 1.00 0.00 H new ATOM 0 HE1 TYR A 69 17.548 -2.683 -5.512 1.00 0.00 H new ATOM 0 HE2 TYR A 69 13.598 -1.175 -6.058 1.00 0.00 H new ATOM 0 HH TYR A 69 14.739 -0.925 -4.181 1.00 0.00 H new ATOM 999 N HIS A 70 18.375 -2.459 -9.941 1.00 0.00 N ATOM 1000 CA HIS A 70 19.602 -1.872 -9.415 1.00 0.00 C ATOM 1001 C HIS A 70 20.109 -0.761 -10.329 1.00 0.00 C ATOM 1002 O HIS A 70 20.477 0.319 -9.866 1.00 0.00 O ATOM 1003 CB HIS A 70 20.678 -2.946 -9.253 1.00 0.00 C ATOM 1004 CG HIS A 70 20.564 -3.721 -7.977 1.00 0.00 C ATOM 1005 ND1 HIS A 70 20.440 -3.122 -6.741 1.00 0.00 N ATOM 1006 CD2 HIS A 70 20.555 -5.055 -7.749 1.00 0.00 C ATOM 1007 CE1 HIS A 70 20.360 -4.054 -5.808 1.00 0.00 C ATOM 1008 NE2 HIS A 70 20.427 -5.236 -6.394 1.00 0.00 N ATOM 0 H HIS A 70 18.437 -3.457 -10.140 1.00 0.00 H new ATOM 0 HA HIS A 70 19.379 -1.441 -8.439 1.00 0.00 H new ATOM 0 HB2 HIS A 70 20.620 -3.637 -10.094 1.00 0.00 H new ATOM 0 HB3 HIS A 70 21.660 -2.474 -9.295 1.00 0.00 H new ATOM 0 HD2 HIS A 70 20.634 -5.833 -8.494 1.00 0.00 H new ATOM 0 HE1 HIS A 70 20.257 -3.879 -4.747 1.00 0.00 H new ATOM 0 HE2 HIS A 70 20.390 -6.137 -5.917 1.00 0.00 H new ATOM 1016 N HIS A 71 20.126 -1.033 -11.630 1.00 0.00 N ATOM 1017 CA HIS A 71 20.588 -0.056 -12.610 1.00 0.00 C ATOM 1018 C HIS A 71 19.778 1.233 -12.515 1.00 0.00 C ATOM 1019 O HIS A 71 20.322 2.330 -12.639 1.00 0.00 O ATOM 1020 CB HIS A 71 20.487 -0.633 -14.023 1.00 0.00 C ATOM 1021 CG HIS A 71 21.377 0.052 -15.014 1.00 0.00 C ATOM 1022 ND1 HIS A 71 21.106 1.301 -15.532 1.00 0.00 N ATOM 1023 CD2 HIS A 71 22.540 -0.345 -15.581 1.00 0.00 C ATOM 1024 CE1 HIS A 71 22.063 1.642 -16.376 1.00 0.00 C ATOM 1025 NE2 HIS A 71 22.946 0.661 -16.423 1.00 0.00 N ATOM 0 H HIS A 71 19.825 -1.922 -12.030 1.00 0.00 H new ATOM 0 HA HIS A 71 21.631 0.174 -12.393 1.00 0.00 H new ATOM 0 HB2 HIS A 71 20.739 -1.693 -13.993 1.00 0.00 H new ATOM 0 HB3 HIS A 71 19.454 -0.560 -14.363 1.00 0.00 H new ATOM 0 HD2 HIS A 71 23.053 -1.279 -15.404 1.00 0.00 H new ATOM 0 HE1 HIS A 71 22.115 2.566 -16.933 1.00 0.00 H new ATOM 0 HE2 HIS A 71 23.792 0.652 -16.992 1.00 0.00 H new ATOM 1033 N ARG A 72 18.475 1.093 -12.295 1.00 0.00 N ATOM 1034 CA ARG A 72 17.590 2.246 -12.186 1.00 0.00 C ATOM 1035 C ARG A 72 17.897 3.050 -10.926 1.00 0.00 C ATOM 1036 O ARG A 72 17.935 4.280 -10.956 1.00 0.00 O ATOM 1037 CB ARG A 72 16.128 1.795 -12.172 1.00 0.00 C ATOM 1038 CG ARG A 72 15.563 1.516 -13.555 1.00 0.00 C ATOM 1039 CD ARG A 72 14.108 1.080 -13.485 1.00 0.00 C ATOM 1040 NE ARG A 72 13.200 2.219 -13.375 1.00 0.00 N ATOM 1041 CZ ARG A 72 12.938 3.049 -14.378 1.00 0.00 C ATOM 1042 NH1 ARG A 72 13.511 2.869 -15.560 1.00 0.00 N ATOM 1043 NH2 ARG A 72 12.100 4.063 -14.200 1.00 0.00 N ATOM 0 H ARG A 72 18.009 0.192 -12.189 1.00 0.00 H new ATOM 0 HA ARG A 72 17.758 2.884 -13.054 1.00 0.00 H new ATOM 0 HB2 ARG A 72 16.040 0.894 -11.565 1.00 0.00 H new ATOM 0 HB3 ARG A 72 15.524 2.564 -11.691 1.00 0.00 H new ATOM 0 HG2 ARG A 72 15.646 2.412 -14.171 1.00 0.00 H new ATOM 0 HG3 ARG A 72 16.154 0.739 -14.041 1.00 0.00 H new ATOM 0 HD2 ARG A 72 13.859 0.503 -14.376 1.00 0.00 H new ATOM 0 HD3 ARG A 72 13.968 0.421 -12.628 1.00 0.00 H new ATOM 0 HE ARG A 72 12.742 2.386 -12.479 1.00 0.00 H new ATOM 0 HH11 ARG A 72 14.155 2.091 -15.701 1.00 0.00 H new ATOM 0 HH12 ARG A 72 13.307 3.508 -16.328 1.00 0.00 H new ATOM 0 HH21 ARG A 72 11.657 4.205 -13.292 1.00 0.00 H new ATOM 0 HH22 ARG A 72 11.899 4.700 -14.971 1.00 0.00 H new ATOM 1057 N ARG A 73 18.116 2.346 -9.820 1.00 0.00 N ATOM 1058 CA ARG A 73 18.418 2.994 -8.549 1.00 0.00 C ATOM 1059 C ARG A 73 19.472 4.082 -8.731 1.00 0.00 C ATOM 1060 O ARG A 73 19.349 5.177 -8.185 1.00 0.00 O ATOM 1061 CB ARG A 73 18.905 1.962 -7.530 1.00 0.00 C ATOM 1062 CG ARG A 73 17.780 1.192 -6.858 1.00 0.00 C ATOM 1063 CD ARG A 73 18.286 0.387 -5.671 1.00 0.00 C ATOM 1064 NE ARG A 73 18.490 1.222 -4.491 1.00 0.00 N ATOM 1065 CZ ARG A 73 19.641 1.820 -4.203 1.00 0.00 C ATOM 1066 NH1 ARG A 73 20.686 1.676 -5.007 1.00 0.00 N ATOM 1067 NH2 ARG A 73 19.749 2.565 -3.110 1.00 0.00 N ATOM 0 H ARG A 73 18.090 1.327 -9.778 1.00 0.00 H new ATOM 0 HA ARG A 73 17.503 3.457 -8.179 1.00 0.00 H new ATOM 0 HB2 ARG A 73 19.569 1.256 -8.029 1.00 0.00 H new ATOM 0 HB3 ARG A 73 19.494 2.469 -6.766 1.00 0.00 H new ATOM 0 HG2 ARG A 73 17.010 1.888 -6.525 1.00 0.00 H new ATOM 0 HG3 ARG A 73 17.314 0.522 -7.581 1.00 0.00 H new ATOM 0 HD2 ARG A 73 17.572 -0.402 -5.437 1.00 0.00 H new ATOM 0 HD3 ARG A 73 19.224 -0.100 -5.937 1.00 0.00 H new ATOM 0 HE ARG A 73 17.706 1.354 -3.852 1.00 0.00 H new ATOM 0 HH11 ARG A 73 20.607 1.105 -5.849 1.00 0.00 H new ATOM 0 HH12 ARG A 73 21.569 2.136 -4.784 1.00 0.00 H new ATOM 0 HH21 ARG A 73 18.948 2.679 -2.489 1.00 0.00 H new ATOM 0 HH22 ARG A 73 20.633 3.023 -2.891 1.00 0.00 H new ATOM 1081 N GLY A 74 20.510 3.771 -9.502 1.00 0.00 N ATOM 1082 CA GLY A 74 21.571 4.731 -9.741 1.00 0.00 C ATOM 1083 C GLY A 74 22.080 4.690 -11.169 1.00 0.00 C ATOM 1084 O GLY A 74 23.017 3.955 -11.480 1.00 0.00 O ATOM 0 H GLY A 74 20.635 2.871 -9.965 1.00 0.00 H new ATOM 0 HA2 GLY A 74 21.207 5.734 -9.517 1.00 0.00 H new ATOM 0 HA3 GLY A 74 22.397 4.532 -9.058 1.00 0.00 H new ATOM 1088 N SER A 75 21.459 5.479 -12.040 1.00 0.00 N ATOM 1089 CA SER A 75 21.851 5.526 -13.444 1.00 0.00 C ATOM 1090 C SER A 75 23.123 6.348 -13.626 1.00 0.00 C ATOM 1091 O SER A 75 23.318 7.367 -12.963 1.00 0.00 O ATOM 1092 CB SER A 75 20.723 6.116 -14.291 1.00 0.00 C ATOM 1093 OG SER A 75 21.048 6.080 -15.670 1.00 0.00 O ATOM 0 H SER A 75 20.682 6.094 -11.798 1.00 0.00 H new ATOM 0 HA SER A 75 22.048 4.506 -13.775 1.00 0.00 H new ATOM 0 HB2 SER A 75 19.803 5.558 -14.116 1.00 0.00 H new ATOM 0 HB3 SER A 75 20.535 7.145 -13.985 1.00 0.00 H new ATOM 0 HG SER A 75 20.310 6.461 -16.190 1.00 0.00 H new ATOM 1099 N GLY A 76 23.988 5.898 -14.530 1.00 0.00 N ATOM 1100 CA GLY A 76 25.230 6.603 -14.784 1.00 0.00 C ATOM 1101 C GLY A 76 25.581 6.648 -16.258 1.00 0.00 C ATOM 1102 O GLY A 76 24.708 6.731 -17.123 1.00 0.00 O ATOM 0 H GLY A 76 23.850 5.057 -15.091 1.00 0.00 H new ATOM 0 HA2 GLY A 76 25.151 7.621 -14.401 1.00 0.00 H new ATOM 0 HA3 GLY A 76 26.038 6.118 -14.236 1.00 0.00 H new ATOM 1106 N PRO A 77 26.886 6.596 -16.562 1.00 0.00 N ATOM 1107 CA PRO A 77 27.380 6.631 -17.942 1.00 0.00 C ATOM 1108 C PRO A 77 27.049 5.355 -18.708 1.00 0.00 C ATOM 1109 O PRO A 77 27.466 4.262 -18.323 1.00 0.00 O ATOM 1110 CB PRO A 77 28.894 6.776 -17.773 1.00 0.00 C ATOM 1111 CG PRO A 77 29.184 6.195 -16.433 1.00 0.00 C ATOM 1112 CD PRO A 77 27.981 6.497 -15.582 1.00 0.00 C ATOM 0 HA PRO A 77 26.923 7.435 -18.519 1.00 0.00 H new ATOM 0 HB2 PRO A 77 29.432 6.246 -18.559 1.00 0.00 H new ATOM 0 HB3 PRO A 77 29.200 7.821 -17.826 1.00 0.00 H new ATOM 0 HG2 PRO A 77 29.354 5.120 -16.502 1.00 0.00 H new ATOM 0 HG3 PRO A 77 30.085 6.633 -16.004 1.00 0.00 H new ATOM 0 HD2 PRO A 77 27.797 5.709 -14.852 1.00 0.00 H new ATOM 0 HD3 PRO A 77 28.106 7.425 -15.024 1.00 0.00 H new ATOM 1120 N SER A 78 26.298 5.500 -19.795 1.00 0.00 N ATOM 1121 CA SER A 78 25.909 4.358 -20.614 1.00 0.00 C ATOM 1122 C SER A 78 26.046 4.683 -22.099 1.00 0.00 C ATOM 1123 O SER A 78 26.017 5.848 -22.496 1.00 0.00 O ATOM 1124 CB SER A 78 24.470 3.946 -20.301 1.00 0.00 C ATOM 1125 OG SER A 78 24.202 2.634 -20.766 1.00 0.00 O ATOM 0 H SER A 78 25.947 6.397 -20.129 1.00 0.00 H new ATOM 0 HA SER A 78 26.576 3.529 -20.378 1.00 0.00 H new ATOM 0 HB2 SER A 78 24.300 3.996 -19.225 1.00 0.00 H new ATOM 0 HB3 SER A 78 23.778 4.648 -20.766 1.00 0.00 H new ATOM 0 HG SER A 78 23.276 2.394 -20.552 1.00 0.00 H new ATOM 1131 N SER A 79 26.194 3.644 -22.914 1.00 0.00 N ATOM 1132 CA SER A 79 26.339 3.817 -24.355 1.00 0.00 C ATOM 1133 C SER A 79 25.003 3.613 -25.063 1.00 0.00 C ATOM 1134 O SER A 79 24.936 2.978 -26.115 1.00 0.00 O ATOM 1135 CB SER A 79 27.376 2.836 -24.906 1.00 0.00 C ATOM 1136 OG SER A 79 26.908 1.501 -24.825 1.00 0.00 O ATOM 0 H SER A 79 26.217 2.673 -22.601 1.00 0.00 H new ATOM 0 HA SER A 79 26.678 4.836 -24.542 1.00 0.00 H new ATOM 0 HB2 SER A 79 27.600 3.084 -25.943 1.00 0.00 H new ATOM 0 HB3 SER A 79 28.306 2.933 -24.347 1.00 0.00 H new ATOM 0 HG SER A 79 27.588 0.894 -25.185 1.00 0.00 H new ATOM 1142 N GLY A 80 23.941 4.159 -24.479 1.00 0.00 N ATOM 1143 CA GLY A 80 22.621 4.027 -25.067 1.00 0.00 C ATOM 1144 C GLY A 80 22.379 5.026 -26.181 1.00 0.00 C ATOM 1145 O GLY A 80 21.238 5.176 -26.614 1.00 0.00 O ATOM 0 H GLY A 80 23.971 4.691 -23.609 1.00 0.00 H new ATOM 0 HA2 GLY A 80 22.500 3.016 -25.457 1.00 0.00 H new ATOM 0 HA3 GLY A 80 21.866 4.162 -24.292 1.00 0.00 H new TER 1149 GLY A 80 HETATM 1150 ZN ZN A 201 -2.853 -8.528 -18.059 1.00 0.00 ZN HETATM 1151 ZN ZN A 401 14.782 -6.133 -16.451 1.00 0.00 ZN