USER MOD reduce.3.24.130724 H: found=0, std=0, add=523, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 519 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 52 HIS HD1 : A 52 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= -0.187 X(o=-0.19,f=-0.26) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS : no HD1:sc= -1.27 K(o=-1.3,f=-3.6!) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot -67:sc= 0.799 USER MOD Single : A 35 LYS NZ :NH3+ -175:sc= 0.0945 (180deg=0.0376) USER MOD Single : A 36 HIS : no HD1:sc= -0.408 K(o=-0.41,f=-0.96) USER MOD Single : A 39 ASN : amide:sc= -0.12 K(o=-0.12,f=-1.8!) USER MOD Single : A 40 MET CE :methyl -176:sc= 0 (180deg=-0.0512) USER MOD Single : A 41 GLN : amide:sc= -1.7 X(o=-1.7,f=-1.5) USER MOD Single : A 48 ASN : amide:sc= -0.268 K(o=-0.27,f=-2.9!) USER MOD Single : A 51 TYR OH : rot 180:sc= -0.694 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.0963 X(o=-0.096,f=-0.35) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0.00812 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -36.793 -6.034 6.401 1.00 0.00 N ATOM 2 CA GLY A 1 -37.847 -5.783 7.367 1.00 0.00 C ATOM 3 C GLY A 1 -37.348 -5.041 8.590 1.00 0.00 C ATOM 4 O GLY A 1 -37.630 -5.435 9.722 1.00 0.00 O ATOM 0 H1 GLY A 1 -37.185 -6.544 5.584 1.00 0.00 H new ATOM 0 H2 GLY A 1 -36.390 -5.129 6.084 1.00 0.00 H new ATOM 0 H3 GLY A 1 -36.047 -6.609 6.842 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -38.640 -5.204 6.893 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -38.286 -6.732 7.676 1.00 0.00 H new ATOM 8 N SER A 2 -36.604 -3.963 8.364 1.00 0.00 N ATOM 9 CA SER A 2 -36.060 -3.166 9.458 1.00 0.00 C ATOM 10 C SER A 2 -35.370 -1.914 8.926 1.00 0.00 C ATOM 11 O SER A 2 -34.545 -1.985 8.016 1.00 0.00 O ATOM 12 CB SER A 2 -35.073 -3.997 10.280 1.00 0.00 C ATOM 13 OG SER A 2 -34.442 -3.205 11.271 1.00 0.00 O ATOM 0 H SER A 2 -36.364 -3.621 7.433 1.00 0.00 H new ATOM 0 HA SER A 2 -36.887 -2.859 10.099 1.00 0.00 H new ATOM 0 HB2 SER A 2 -35.597 -4.827 10.753 1.00 0.00 H new ATOM 0 HB3 SER A 2 -34.320 -4.429 9.621 1.00 0.00 H new ATOM 0 HG SER A 2 -33.817 -3.759 11.784 1.00 0.00 H new ATOM 19 N SER A 3 -35.714 -0.766 9.502 1.00 0.00 N ATOM 20 CA SER A 3 -35.131 0.503 9.085 1.00 0.00 C ATOM 21 C SER A 3 -34.080 0.973 10.086 1.00 0.00 C ATOM 22 O SER A 3 -34.047 0.519 11.228 1.00 0.00 O ATOM 23 CB SER A 3 -36.222 1.566 8.938 1.00 0.00 C ATOM 24 OG SER A 3 -37.460 0.979 8.575 1.00 0.00 O ATOM 0 H SER A 3 -36.394 -0.689 10.259 1.00 0.00 H new ATOM 0 HA SER A 3 -34.647 0.352 8.120 1.00 0.00 H new ATOM 0 HB2 SER A 3 -36.334 2.108 9.877 1.00 0.00 H new ATOM 0 HB3 SER A 3 -35.926 2.294 8.183 1.00 0.00 H new ATOM 0 HG SER A 3 -38.141 1.678 8.489 1.00 0.00 H new ATOM 30 N GLY A 4 -33.220 1.888 9.646 1.00 0.00 N ATOM 31 CA GLY A 4 -32.179 2.405 10.514 1.00 0.00 C ATOM 32 C GLY A 4 -31.461 3.597 9.912 1.00 0.00 C ATOM 33 O GLY A 4 -32.039 4.345 9.124 1.00 0.00 O ATOM 0 H GLY A 4 -33.226 2.280 8.704 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -32.617 2.693 11.470 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -31.456 1.615 10.720 1.00 0.00 H new ATOM 37 N SER A 5 -30.198 3.775 10.286 1.00 0.00 N ATOM 38 CA SER A 5 -29.402 4.888 9.782 1.00 0.00 C ATOM 39 C SER A 5 -28.425 4.415 8.710 1.00 0.00 C ATOM 40 O SER A 5 -27.398 3.808 9.014 1.00 0.00 O ATOM 41 CB SER A 5 -28.637 5.556 10.926 1.00 0.00 C ATOM 42 OG SER A 5 -27.639 6.431 10.431 1.00 0.00 O ATOM 0 H SER A 5 -29.704 3.163 10.936 1.00 0.00 H new ATOM 0 HA SER A 5 -30.081 5.615 9.336 1.00 0.00 H new ATOM 0 HB2 SER A 5 -29.332 6.111 11.556 1.00 0.00 H new ATOM 0 HB3 SER A 5 -28.177 4.793 11.554 1.00 0.00 H new ATOM 0 HG SER A 5 -27.166 6.846 11.182 1.00 0.00 H new ATOM 48 N SER A 6 -28.752 4.699 7.453 1.00 0.00 N ATOM 49 CA SER A 6 -27.907 4.299 6.334 1.00 0.00 C ATOM 50 C SER A 6 -26.729 5.256 6.175 1.00 0.00 C ATOM 51 O SER A 6 -26.848 6.307 5.548 1.00 0.00 O ATOM 52 CB SER A 6 -28.722 4.258 5.040 1.00 0.00 C ATOM 53 OG SER A 6 -28.001 3.616 4.003 1.00 0.00 O ATOM 0 H SER A 6 -29.596 5.205 7.184 1.00 0.00 H new ATOM 0 HA SER A 6 -27.519 3.302 6.542 1.00 0.00 H new ATOM 0 HB2 SER A 6 -29.661 3.732 5.214 1.00 0.00 H new ATOM 0 HB3 SER A 6 -28.977 5.273 4.735 1.00 0.00 H new ATOM 0 HG SER A 6 -28.544 3.601 3.187 1.00 0.00 H new ATOM 59 N GLY A 7 -25.589 4.882 6.749 1.00 0.00 N ATOM 60 CA GLY A 7 -24.405 5.716 6.661 1.00 0.00 C ATOM 61 C GLY A 7 -23.194 5.076 7.310 1.00 0.00 C ATOM 62 O GLY A 7 -22.811 5.441 8.422 1.00 0.00 O ATOM 0 H GLY A 7 -25.465 4.016 7.273 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -24.186 5.921 5.613 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -24.604 6.676 7.138 1.00 0.00 H new ATOM 66 N ARG A 8 -22.592 4.116 6.617 1.00 0.00 N ATOM 67 CA ARG A 8 -21.419 3.421 7.134 1.00 0.00 C ATOM 68 C ARG A 8 -20.241 3.552 6.172 1.00 0.00 C ATOM 69 O ARG A 8 -20.279 3.038 5.055 1.00 0.00 O ATOM 70 CB ARG A 8 -21.738 1.943 7.368 1.00 0.00 C ATOM 71 CG ARG A 8 -20.830 1.279 8.390 1.00 0.00 C ATOM 72 CD ARG A 8 -21.368 -0.079 8.815 1.00 0.00 C ATOM 73 NE ARG A 8 -22.522 0.043 9.701 1.00 0.00 N ATOM 74 CZ ARG A 8 -22.430 0.366 10.987 1.00 0.00 C ATOM 75 NH1 ARG A 8 -21.245 0.599 11.532 1.00 0.00 N ATOM 76 NH2 ARG A 8 -23.526 0.457 11.729 1.00 0.00 N ATOM 0 H ARG A 8 -22.897 3.801 5.696 1.00 0.00 H new ATOM 0 HA ARG A 8 -21.144 3.881 8.083 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -22.772 1.851 7.699 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -21.658 1.408 6.422 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -19.832 1.160 7.969 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -20.733 1.923 9.264 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -21.649 -0.651 7.930 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -20.581 -0.639 9.320 1.00 0.00 H new ATOM 0 HE ARG A 8 -23.449 -0.129 9.312 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -20.400 0.531 10.964 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -21.177 0.847 12.519 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -24.440 0.279 11.313 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -23.455 0.705 12.716 1.00 0.00 H new ATOM 90 N ASN A 9 -19.197 4.244 6.615 1.00 0.00 N ATOM 91 CA ASN A 9 -18.008 4.444 5.794 1.00 0.00 C ATOM 92 C ASN A 9 -16.836 4.928 6.641 1.00 0.00 C ATOM 93 O ASN A 9 -17.010 5.315 7.797 1.00 0.00 O ATOM 94 CB ASN A 9 -18.297 5.451 4.679 1.00 0.00 C ATOM 95 CG ASN A 9 -17.393 5.259 3.477 1.00 0.00 C ATOM 96 OD1 ASN A 9 -17.359 4.185 2.877 1.00 0.00 O ATOM 97 ND2 ASN A 9 -16.653 6.302 3.120 1.00 0.00 N ATOM 0 H ASN A 9 -19.150 4.676 7.538 1.00 0.00 H new ATOM 0 HA ASN A 9 -17.739 3.486 5.349 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -19.337 5.355 4.367 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -18.173 6.462 5.066 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -16.025 6.231 2.320 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -16.713 7.174 3.646 1.00 0.00 H new ATOM 104 N ASP A 10 -15.642 4.905 6.059 1.00 0.00 N ATOM 105 CA ASP A 10 -14.441 5.343 6.760 1.00 0.00 C ATOM 106 C ASP A 10 -13.981 6.705 6.250 1.00 0.00 C ATOM 107 O ASP A 10 -13.656 6.862 5.072 1.00 0.00 O ATOM 108 CB ASP A 10 -13.321 4.315 6.588 1.00 0.00 C ATOM 109 CG ASP A 10 -12.957 4.094 5.133 1.00 0.00 C ATOM 110 OD1 ASP A 10 -13.677 3.337 4.449 1.00 0.00 O ATOM 111 OD2 ASP A 10 -11.951 4.678 4.679 1.00 0.00 O ATOM 0 H ASP A 10 -15.480 4.588 5.103 1.00 0.00 H new ATOM 0 HA ASP A 10 -14.681 5.434 7.819 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -12.438 4.649 7.134 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -13.630 3.368 7.030 1.00 0.00 H new ATOM 116 N THR A 11 -13.956 7.688 7.144 1.00 0.00 N ATOM 117 CA THR A 11 -13.538 9.037 6.784 1.00 0.00 C ATOM 118 C THR A 11 -13.099 9.823 8.015 1.00 0.00 C ATOM 119 O THR A 11 -13.601 9.601 9.116 1.00 0.00 O ATOM 120 CB THR A 11 -14.669 9.806 6.075 1.00 0.00 C ATOM 121 OG1 THR A 11 -14.189 11.077 5.624 1.00 0.00 O ATOM 122 CG2 THR A 11 -15.854 10.007 7.008 1.00 0.00 C ATOM 0 H THR A 11 -14.220 7.575 8.123 1.00 0.00 H new ATOM 0 HA THR A 11 -12.695 8.935 6.101 1.00 0.00 H new ATOM 0 HB THR A 11 -14.997 9.218 5.218 1.00 0.00 H new ATOM 0 HG1 THR A 11 -14.913 11.559 5.173 1.00 0.00 H new ATOM 0 HG21 THR A 11 -16.640 10.552 6.486 1.00 0.00 H new ATOM 0 HG22 THR A 11 -16.235 9.037 7.326 1.00 0.00 H new ATOM 0 HG23 THR A 11 -15.537 10.576 7.882 1.00 0.00 H new ATOM 130 N GLU A 12 -12.158 10.743 7.820 1.00 0.00 N ATOM 131 CA GLU A 12 -11.652 11.561 8.915 1.00 0.00 C ATOM 132 C GLU A 12 -10.965 10.696 9.968 1.00 0.00 C ATOM 133 O GLU A 12 -11.147 9.479 10.004 1.00 0.00 O ATOM 134 CB GLU A 12 -12.792 12.355 9.557 1.00 0.00 C ATOM 135 CG GLU A 12 -12.342 13.659 10.195 1.00 0.00 C ATOM 136 CD GLU A 12 -13.326 14.790 9.966 1.00 0.00 C ATOM 137 OE1 GLU A 12 -13.189 15.496 8.944 1.00 0.00 O ATOM 138 OE2 GLU A 12 -14.231 14.970 10.806 1.00 0.00 O ATOM 0 H GLU A 12 -11.732 10.940 6.914 1.00 0.00 H new ATOM 0 HA GLU A 12 -10.919 12.257 8.506 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -13.544 12.572 8.799 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -13.273 11.736 10.315 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -12.210 13.508 11.266 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -11.370 13.941 9.791 1.00 0.00 H new ATOM 145 N CYS A 13 -10.173 11.334 10.824 1.00 0.00 N ATOM 146 CA CYS A 13 -9.457 10.625 11.878 1.00 0.00 C ATOM 147 C CYS A 13 -9.470 11.425 13.177 1.00 0.00 C ATOM 148 O CYS A 13 -9.069 12.588 13.206 1.00 0.00 O ATOM 149 CB CYS A 13 -8.014 10.352 11.448 1.00 0.00 C ATOM 150 SG CYS A 13 -7.154 9.117 12.473 1.00 0.00 S ATOM 0 H CYS A 13 -10.011 12.341 10.808 1.00 0.00 H new ATOM 0 HA CYS A 13 -9.963 9.675 12.052 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -8.013 10.013 10.412 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -7.454 11.287 11.478 1.00 0.00 H new ATOM 155 N ASP A 14 -9.933 10.792 14.250 1.00 0.00 N ATOM 156 CA ASP A 14 -9.997 11.444 15.553 1.00 0.00 C ATOM 157 C ASP A 14 -8.719 11.196 16.347 1.00 0.00 C ATOM 158 O ASP A 14 -8.346 11.994 17.208 1.00 0.00 O ATOM 159 CB ASP A 14 -11.208 10.939 16.340 1.00 0.00 C ATOM 160 CG ASP A 14 -11.789 12.001 17.252 1.00 0.00 C ATOM 161 OD1 ASP A 14 -12.186 13.069 16.741 1.00 0.00 O ATOM 162 OD2 ASP A 14 -11.846 11.765 18.477 1.00 0.00 O ATOM 0 H ASP A 14 -10.269 9.829 14.243 1.00 0.00 H new ATOM 0 HA ASP A 14 -10.100 12.517 15.391 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -11.976 10.603 15.643 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -10.916 10.073 16.935 1.00 0.00 H new ATOM 167 N LEU A 15 -8.052 10.085 16.054 1.00 0.00 N ATOM 168 CA LEU A 15 -6.815 9.731 16.742 1.00 0.00 C ATOM 169 C LEU A 15 -5.806 10.873 16.670 1.00 0.00 C ATOM 170 O LEU A 15 -5.007 11.069 17.586 1.00 0.00 O ATOM 171 CB LEU A 15 -6.214 8.464 16.132 1.00 0.00 C ATOM 172 CG LEU A 15 -6.952 7.159 16.433 1.00 0.00 C ATOM 173 CD1 LEU A 15 -7.611 6.616 15.175 1.00 0.00 C ATOM 174 CD2 LEU A 15 -5.998 6.131 17.024 1.00 0.00 C ATOM 0 H LEU A 15 -8.347 9.414 15.345 1.00 0.00 H new ATOM 0 HA LEU A 15 -7.051 9.545 17.790 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -6.169 8.592 15.050 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.187 8.367 16.484 1.00 0.00 H new ATOM 0 HG LEU A 15 -7.732 7.366 17.166 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -8.131 5.687 15.409 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -8.325 7.346 14.794 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -6.850 6.425 14.419 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -6.540 5.209 17.232 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -5.196 5.928 16.314 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -5.573 6.519 17.950 1.00 0.00 H new ATOM 186 N CYS A 16 -5.849 11.625 15.575 1.00 0.00 N ATOM 187 CA CYS A 16 -4.940 12.748 15.383 1.00 0.00 C ATOM 188 C CYS A 16 -5.715 14.035 15.116 1.00 0.00 C ATOM 189 O CYS A 16 -5.327 15.112 15.568 1.00 0.00 O ATOM 190 CB CYS A 16 -3.985 12.465 14.222 1.00 0.00 C ATOM 191 SG CYS A 16 -4.815 11.957 12.682 1.00 0.00 S ATOM 0 H CYS A 16 -6.504 11.477 14.807 1.00 0.00 H new ATOM 0 HA CYS A 16 -4.361 12.876 16.298 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -3.394 13.360 14.025 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -3.288 11.682 14.522 1.00 0.00 H new ATOM 196 N GLY A 17 -6.815 13.915 14.378 1.00 0.00 N ATOM 197 CA GLY A 17 -7.628 15.076 14.063 1.00 0.00 C ATOM 198 C GLY A 17 -7.556 15.454 12.597 1.00 0.00 C ATOM 199 O GLY A 17 -8.466 16.091 12.068 1.00 0.00 O ATOM 0 H GLY A 17 -7.158 13.035 13.993 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -8.665 14.874 14.332 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -7.300 15.920 14.669 1.00 0.00 H new ATOM 203 N GLY A 18 -6.470 15.061 11.938 1.00 0.00 N ATOM 204 CA GLY A 18 -6.303 15.374 10.531 1.00 0.00 C ATOM 205 C GLY A 18 -5.184 16.366 10.287 1.00 0.00 C ATOM 206 O GLY A 18 -5.399 17.419 9.686 1.00 0.00 O ATOM 0 H GLY A 18 -5.703 14.532 12.353 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -6.098 14.456 9.980 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -7.236 15.779 10.139 1.00 0.00 H new ATOM 210 N ASP A 19 -3.986 16.032 10.755 1.00 0.00 N ATOM 211 CA ASP A 19 -2.829 16.903 10.584 1.00 0.00 C ATOM 212 C ASP A 19 -1.535 16.094 10.593 1.00 0.00 C ATOM 213 O ASP A 19 -1.460 15.003 11.158 1.00 0.00 O ATOM 214 CB ASP A 19 -2.791 17.960 11.689 1.00 0.00 C ATOM 215 CG ASP A 19 -3.103 19.350 11.171 1.00 0.00 C ATOM 216 OD1 ASP A 19 -4.210 19.547 10.629 1.00 0.00 O ATOM 217 OD2 ASP A 19 -2.238 20.241 11.306 1.00 0.00 O ATOM 0 H ASP A 19 -3.791 15.165 11.255 1.00 0.00 H new ATOM 0 HA ASP A 19 -2.920 17.401 9.619 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -3.508 17.695 12.466 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.805 17.961 12.153 1.00 0.00 H new ATOM 222 N PRO A 20 -0.491 16.640 9.951 1.00 0.00 N ATOM 223 CA PRO A 20 0.818 15.986 9.870 1.00 0.00 C ATOM 224 C PRO A 20 1.536 15.957 11.215 1.00 0.00 C ATOM 225 O PRO A 20 2.060 14.922 11.626 1.00 0.00 O ATOM 226 CB PRO A 20 1.588 16.856 8.872 1.00 0.00 C ATOM 227 CG PRO A 20 0.943 18.196 8.962 1.00 0.00 C ATOM 228 CD PRO A 20 -0.509 17.938 9.255 1.00 0.00 C ATOM 0 HA PRO A 20 0.734 14.941 9.570 1.00 0.00 H new ATOM 0 HB2 PRO A 20 2.647 16.908 9.127 1.00 0.00 H new ATOM 0 HB3 PRO A 20 1.523 16.452 7.862 1.00 0.00 H new ATOM 0 HG2 PRO A 20 1.399 18.797 9.749 1.00 0.00 H new ATOM 0 HG3 PRO A 20 1.061 18.749 8.030 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -0.939 18.722 9.878 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -1.102 17.896 8.341 1.00 0.00 H new ATOM 236 N GLU A 21 1.555 17.099 11.895 1.00 0.00 N ATOM 237 CA GLU A 21 2.209 17.202 13.195 1.00 0.00 C ATOM 238 C GLU A 21 1.589 16.230 14.195 1.00 0.00 C ATOM 239 O GLU A 21 2.287 15.419 14.804 1.00 0.00 O ATOM 240 CB GLU A 21 2.109 18.633 13.728 1.00 0.00 C ATOM 241 CG GLU A 21 3.321 19.489 13.403 1.00 0.00 C ATOM 242 CD GLU A 21 4.560 19.060 14.165 1.00 0.00 C ATOM 243 OE1 GLU A 21 4.435 18.721 15.360 1.00 0.00 O ATOM 244 OE2 GLU A 21 5.656 19.064 13.565 1.00 0.00 O ATOM 0 H GLU A 21 1.126 17.965 11.568 1.00 0.00 H new ATOM 0 HA GLU A 21 3.260 16.942 13.067 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.219 19.105 13.312 1.00 0.00 H new ATOM 0 HB3 GLU A 21 1.977 18.601 14.809 1.00 0.00 H new ATOM 0 HG2 GLU A 21 3.521 19.437 12.333 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.098 20.530 13.636 1.00 0.00 H new ATOM 251 N LYS A 22 0.274 16.319 14.359 1.00 0.00 N ATOM 252 CA LYS A 22 -0.442 15.448 15.284 1.00 0.00 C ATOM 253 C LYS A 22 -0.107 13.983 15.023 1.00 0.00 C ATOM 254 O LYS A 22 -0.595 13.386 14.063 1.00 0.00 O ATOM 255 CB LYS A 22 -1.952 15.667 15.158 1.00 0.00 C ATOM 256 CG LYS A 22 -2.367 17.124 15.275 1.00 0.00 C ATOM 257 CD LYS A 22 -3.359 17.331 16.407 1.00 0.00 C ATOM 258 CE LYS A 22 -3.232 18.722 17.011 1.00 0.00 C ATOM 259 NZ LYS A 22 -3.251 18.683 18.500 1.00 0.00 N ATOM 0 H LYS A 22 -0.318 16.986 13.863 1.00 0.00 H new ATOM 0 HA LYS A 22 -0.127 15.699 16.297 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -2.288 15.278 14.197 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.460 15.090 15.931 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -1.485 17.742 15.445 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -2.811 17.453 14.336 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -4.373 17.186 16.035 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -3.193 16.581 17.180 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -2.304 19.182 16.671 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -4.049 19.349 16.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -3.162 19.649 18.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -4.147 18.267 18.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -2.457 18.105 18.842 1.00 0.00 H new ATOM 273 N LYS A 23 0.727 13.409 15.883 1.00 0.00 N ATOM 274 CA LYS A 23 1.126 12.014 15.747 1.00 0.00 C ATOM 275 C LYS A 23 -0.095 11.101 15.700 1.00 0.00 C ATOM 276 O LYS A 23 -1.154 11.436 16.232 1.00 0.00 O ATOM 277 CB LYS A 23 2.035 11.607 16.909 1.00 0.00 C ATOM 278 CG LYS A 23 3.234 10.778 16.481 1.00 0.00 C ATOM 279 CD LYS A 23 4.541 11.433 16.896 1.00 0.00 C ATOM 280 CE LYS A 23 5.082 12.339 15.800 1.00 0.00 C ATOM 281 NZ LYS A 23 6.256 11.735 15.110 1.00 0.00 N ATOM 0 H LYS A 23 1.140 13.889 16.682 1.00 0.00 H new ATOM 0 HA LYS A 23 1.673 11.908 14.810 1.00 0.00 H new ATOM 0 HB2 LYS A 23 2.387 12.505 17.416 1.00 0.00 H new ATOM 0 HB3 LYS A 23 1.452 11.040 17.634 1.00 0.00 H new ATOM 0 HG2 LYS A 23 3.167 9.784 16.924 1.00 0.00 H new ATOM 0 HG3 LYS A 23 3.219 10.647 15.399 1.00 0.00 H new ATOM 0 HD2 LYS A 23 4.386 12.013 17.806 1.00 0.00 H new ATOM 0 HD3 LYS A 23 5.277 10.664 17.130 1.00 0.00 H new ATOM 0 HE2 LYS A 23 4.296 12.538 15.072 1.00 0.00 H new ATOM 0 HE3 LYS A 23 5.368 13.299 16.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 6.595 12.383 14.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 7.016 11.569 15.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 5.977 10.831 14.677 1.00 0.00 H new ATOM 295 N CYS A 24 0.059 9.946 15.061 1.00 0.00 N ATOM 296 CA CYS A 24 -1.030 8.984 14.945 1.00 0.00 C ATOM 297 C CYS A 24 -0.489 7.566 14.784 1.00 0.00 C ATOM 298 O CYS A 24 0.604 7.364 14.253 1.00 0.00 O ATOM 299 CB CYS A 24 -1.926 9.338 13.757 1.00 0.00 C ATOM 300 SG CYS A 24 -3.628 8.702 13.894 1.00 0.00 S ATOM 0 H CYS A 24 0.929 9.654 14.615 1.00 0.00 H new ATOM 0 HA CYS A 24 -1.619 9.027 15.861 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -1.962 10.422 13.653 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -1.475 8.945 12.846 1.00 0.00 H new ATOM 305 N HIS A 25 -1.262 6.588 15.245 1.00 0.00 N ATOM 306 CA HIS A 25 -0.861 5.189 15.151 1.00 0.00 C ATOM 307 C HIS A 25 -1.505 4.519 13.940 1.00 0.00 C ATOM 308 O HIS A 25 -0.965 3.560 13.389 1.00 0.00 O ATOM 309 CB HIS A 25 -1.245 4.439 16.427 1.00 0.00 C ATOM 310 CG HIS A 25 -0.078 4.127 17.312 1.00 0.00 C ATOM 311 ND1 HIS A 25 1.014 3.398 16.889 1.00 0.00 N ATOM 312 CD2 HIS A 25 0.165 4.449 18.604 1.00 0.00 C ATOM 313 CE1 HIS A 25 1.877 3.285 17.882 1.00 0.00 C ATOM 314 NE2 HIS A 25 1.386 3.914 18.935 1.00 0.00 N ATOM 0 H HIS A 25 -2.169 6.738 15.687 1.00 0.00 H new ATOM 0 HA HIS A 25 0.222 5.155 15.030 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -1.966 5.036 16.986 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -1.744 3.509 16.156 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -0.481 5.020 19.254 1.00 0.00 H new ATOM 0 HE1 HIS A 25 2.823 2.766 17.840 1.00 0.00 H new ATOM 0 HE2 HIS A 25 1.840 3.990 19.845 1.00 0.00 H new ATOM 322 N SER A 26 -2.662 5.030 13.534 1.00 0.00 N ATOM 323 CA SER A 26 -3.382 4.479 12.392 1.00 0.00 C ATOM 324 C SER A 26 -2.848 5.054 11.083 1.00 0.00 C ATOM 325 O SER A 26 -2.391 4.317 10.208 1.00 0.00 O ATOM 326 CB SER A 26 -4.879 4.771 12.516 1.00 0.00 C ATOM 327 OG SER A 26 -5.581 4.335 11.365 1.00 0.00 O ATOM 0 H SER A 26 -3.121 5.825 13.979 1.00 0.00 H new ATOM 0 HA SER A 26 -3.228 3.400 12.385 1.00 0.00 H new ATOM 0 HB2 SER A 26 -5.278 4.273 13.400 1.00 0.00 H new ATOM 0 HB3 SER A 26 -5.034 5.841 12.656 1.00 0.00 H new ATOM 0 HG SER A 26 -6.535 4.532 11.470 1.00 0.00 H new ATOM 333 N CYS A 27 -2.907 6.375 10.957 1.00 0.00 N ATOM 334 CA CYS A 27 -2.430 7.052 9.757 1.00 0.00 C ATOM 335 C CYS A 27 -0.980 6.679 9.462 1.00 0.00 C ATOM 336 O CYS A 27 -0.538 6.722 8.314 1.00 0.00 O ATOM 337 CB CYS A 27 -2.557 8.568 9.916 1.00 0.00 C ATOM 338 SG CYS A 27 -4.265 9.150 10.161 1.00 0.00 S ATOM 0 H CYS A 27 -3.281 6.999 11.672 1.00 0.00 H new ATOM 0 HA CYS A 27 -3.047 6.729 8.919 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -1.951 8.885 10.765 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -2.143 9.051 9.031 1.00 0.00 H new ATOM 343 N SER A 28 -0.245 6.314 10.508 1.00 0.00 N ATOM 344 CA SER A 28 1.156 5.937 10.363 1.00 0.00 C ATOM 345 C SER A 28 1.402 4.535 10.912 1.00 0.00 C ATOM 346 O SER A 28 0.461 3.806 11.229 1.00 0.00 O ATOM 347 CB SER A 28 2.054 6.944 11.084 1.00 0.00 C ATOM 348 OG SER A 28 2.275 6.559 12.429 1.00 0.00 O ATOM 0 H SER A 28 -0.597 6.271 11.465 1.00 0.00 H new ATOM 0 HA SER A 28 1.399 5.939 9.300 1.00 0.00 H new ATOM 0 HB2 SER A 28 3.008 7.023 10.564 1.00 0.00 H new ATOM 0 HB3 SER A 28 1.594 7.932 11.056 1.00 0.00 H new ATOM 0 HG SER A 28 1.434 6.618 12.928 1.00 0.00 H new ATOM 354 N CYS A 29 2.673 4.164 11.023 1.00 0.00 N ATOM 355 CA CYS A 29 3.044 2.850 11.534 1.00 0.00 C ATOM 356 C CYS A 29 2.407 2.595 12.896 1.00 0.00 C ATOM 357 O CYS A 29 2.542 3.402 13.817 1.00 0.00 O ATOM 358 CB CYS A 29 4.566 2.733 11.640 1.00 0.00 C ATOM 359 SG CYS A 29 5.166 1.030 11.881 1.00 0.00 S ATOM 0 H CYS A 29 3.464 4.755 10.766 1.00 0.00 H new ATOM 0 HA CYS A 29 2.676 2.099 10.835 1.00 0.00 H new ATOM 0 HB2 CYS A 29 5.015 3.140 10.734 1.00 0.00 H new ATOM 0 HB3 CYS A 29 4.910 3.349 12.471 1.00 0.00 H new ATOM 364 N ARG A 30 1.712 1.469 13.018 1.00 0.00 N ATOM 365 CA ARG A 30 1.053 1.108 14.267 1.00 0.00 C ATOM 366 C ARG A 30 1.950 0.213 15.116 1.00 0.00 C ATOM 367 O ARG A 30 1.703 0.017 16.306 1.00 0.00 O ATOM 368 CB ARG A 30 -0.272 0.398 13.983 1.00 0.00 C ATOM 369 CG ARG A 30 -1.352 0.691 15.011 1.00 0.00 C ATOM 370 CD ARG A 30 -2.634 1.173 14.350 1.00 0.00 C ATOM 371 NE ARG A 30 -3.432 2.006 15.246 1.00 0.00 N ATOM 372 CZ ARG A 30 -4.165 1.521 16.242 1.00 0.00 C ATOM 373 NH1 ARG A 30 -4.200 0.215 16.470 1.00 0.00 N ATOM 374 NH2 ARG A 30 -4.864 2.343 17.014 1.00 0.00 N ATOM 0 H ARG A 30 1.591 0.790 12.266 1.00 0.00 H new ATOM 0 HA ARG A 30 0.854 2.025 14.822 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -0.630 0.696 12.997 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -0.098 -0.677 13.948 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -1.557 -0.208 15.592 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -0.995 1.447 15.710 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -2.388 1.739 13.452 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -3.224 0.313 14.033 1.00 0.00 H new ATOM 0 HE ARG A 30 -3.426 3.015 15.099 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -3.663 -0.420 15.880 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -4.764 -0.154 17.236 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -4.839 3.348 16.843 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -5.427 1.970 17.779 1.00 0.00 H new ATOM 388 N VAL A 31 2.993 -0.330 14.496 1.00 0.00 N ATOM 389 CA VAL A 31 3.928 -1.205 15.194 1.00 0.00 C ATOM 390 C VAL A 31 4.867 -0.403 16.089 1.00 0.00 C ATOM 391 O VAL A 31 4.734 -0.411 17.313 1.00 0.00 O ATOM 392 CB VAL A 31 4.765 -2.037 14.204 1.00 0.00 C ATOM 393 CG1 VAL A 31 5.769 -2.903 14.950 1.00 0.00 C ATOM 394 CG2 VAL A 31 3.860 -2.889 13.328 1.00 0.00 C ATOM 0 H VAL A 31 3.212 -0.179 13.511 1.00 0.00 H new ATOM 0 HA VAL A 31 3.332 -1.879 15.809 1.00 0.00 H new ATOM 0 HB VAL A 31 5.319 -1.355 13.559 1.00 0.00 H new ATOM 0 HG11 VAL A 31 6.351 -3.484 14.234 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.437 -2.267 15.531 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.239 -3.580 15.620 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.467 -3.470 12.634 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.278 -3.565 13.955 1.00 0.00 H new ATOM 0 HG23 VAL A 31 3.185 -2.244 12.766 1.00 0.00 H new ATOM 404 N CYS A 32 5.818 0.289 15.469 1.00 0.00 N ATOM 405 CA CYS A 32 6.780 1.096 16.208 1.00 0.00 C ATOM 406 C CYS A 32 6.160 2.421 16.642 1.00 0.00 C ATOM 407 O CYS A 32 6.587 3.027 17.623 1.00 0.00 O ATOM 408 CB CYS A 32 8.021 1.358 15.352 1.00 0.00 C ATOM 409 SG CYS A 32 7.747 2.526 13.982 1.00 0.00 S ATOM 0 H CYS A 32 5.942 0.306 14.457 1.00 0.00 H new ATOM 0 HA CYS A 32 7.072 0.542 17.100 1.00 0.00 H new ATOM 0 HB2 CYS A 32 8.815 1.744 15.991 1.00 0.00 H new ATOM 0 HB3 CYS A 32 8.373 0.411 14.943 1.00 0.00 H new ATOM 414 N GLY A 33 5.148 2.865 15.902 1.00 0.00 N ATOM 415 CA GLY A 33 4.485 4.115 16.225 1.00 0.00 C ATOM 416 C GLY A 33 5.258 5.324 15.738 1.00 0.00 C ATOM 417 O GLY A 33 5.668 6.169 16.533 1.00 0.00 O ATOM 0 H GLY A 33 4.776 2.381 15.085 1.00 0.00 H new ATOM 0 HA2 GLY A 33 3.490 4.120 15.780 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.352 4.184 17.305 1.00 0.00 H new ATOM 421 N GLY A 34 5.459 5.407 14.426 1.00 0.00 N ATOM 422 CA GLY A 34 6.190 6.525 13.857 1.00 0.00 C ATOM 423 C GLY A 34 5.499 7.110 12.641 1.00 0.00 C ATOM 424 O GLY A 34 4.816 6.399 11.903 1.00 0.00 O ATOM 0 H GLY A 34 5.129 4.721 13.747 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.307 7.301 14.613 1.00 0.00 H new ATOM 0 HA3 GLY A 34 7.192 6.197 13.579 1.00 0.00 H new ATOM 428 N LYS A 35 5.675 8.410 12.431 1.00 0.00 N ATOM 429 CA LYS A 35 5.063 9.092 11.297 1.00 0.00 C ATOM 430 C LYS A 35 6.128 9.611 10.336 1.00 0.00 C ATOM 431 O LYS A 35 6.050 10.745 9.860 1.00 0.00 O ATOM 432 CB LYS A 35 4.190 10.252 11.782 1.00 0.00 C ATOM 433 CG LYS A 35 3.229 10.772 10.728 1.00 0.00 C ATOM 434 CD LYS A 35 2.094 11.566 11.352 1.00 0.00 C ATOM 435 CE LYS A 35 0.751 10.888 11.128 1.00 0.00 C ATOM 436 NZ LYS A 35 -0.346 11.572 11.867 1.00 0.00 N ATOM 0 H LYS A 35 6.237 9.013 13.032 1.00 0.00 H new ATOM 0 HA LYS A 35 4.438 8.373 10.767 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.620 9.927 12.653 1.00 0.00 H new ATOM 0 HB3 LYS A 35 4.834 11.068 12.109 1.00 0.00 H new ATOM 0 HG2 LYS A 35 3.769 11.402 10.021 1.00 0.00 H new ATOM 0 HG3 LYS A 35 2.820 9.935 10.162 1.00 0.00 H new ATOM 0 HD2 LYS A 35 2.272 11.679 12.421 1.00 0.00 H new ATOM 0 HD3 LYS A 35 2.072 12.569 10.925 1.00 0.00 H new ATOM 0 HE2 LYS A 35 0.521 10.880 10.062 1.00 0.00 H new ATOM 0 HE3 LYS A 35 0.811 9.848 11.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -1.228 11.032 11.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -0.100 11.632 12.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -0.477 12.530 11.485 1.00 0.00 H new ATOM 450 N HIS A 36 7.121 8.775 10.052 1.00 0.00 N ATOM 451 CA HIS A 36 8.201 9.149 9.145 1.00 0.00 C ATOM 452 C HIS A 36 8.313 8.154 7.995 1.00 0.00 C ATOM 453 O HIS A 36 7.776 7.049 8.063 1.00 0.00 O ATOM 454 CB HIS A 36 9.527 9.224 9.902 1.00 0.00 C ATOM 455 CG HIS A 36 9.802 8.021 10.751 1.00 0.00 C ATOM 456 ND1 HIS A 36 9.173 7.792 11.957 1.00 0.00 N ATOM 457 CD2 HIS A 36 10.642 6.977 10.561 1.00 0.00 C ATOM 458 CE1 HIS A 36 9.616 6.659 12.473 1.00 0.00 C ATOM 459 NE2 HIS A 36 10.508 6.145 11.646 1.00 0.00 N ATOM 0 H HIS A 36 7.201 7.834 10.437 1.00 0.00 H new ATOM 0 HA HIS A 36 7.972 10.131 8.731 1.00 0.00 H new ATOM 0 HB2 HIS A 36 10.339 9.345 9.185 1.00 0.00 H new ATOM 0 HB3 HIS A 36 9.525 10.112 10.534 1.00 0.00 H new ATOM 0 HD2 HIS A 36 11.296 6.826 9.715 1.00 0.00 H new ATOM 0 HE1 HIS A 36 9.302 6.227 13.412 1.00 0.00 H new ATOM 0 HE2 HIS A 36 11.015 5.272 11.790 1.00 0.00 H new ATOM 467 N GLU A 37 9.014 8.554 6.938 1.00 0.00 N ATOM 468 CA GLU A 37 9.195 7.697 5.773 1.00 0.00 C ATOM 469 C GLU A 37 7.848 7.300 5.175 1.00 0.00 C ATOM 470 O GLU A 37 7.468 6.129 5.162 1.00 0.00 O ATOM 471 CB GLU A 37 9.987 6.444 6.151 1.00 0.00 C ATOM 472 CG GLU A 37 11.427 6.728 6.541 1.00 0.00 C ATOM 473 CD GLU A 37 12.399 6.486 5.402 1.00 0.00 C ATOM 474 OE1 GLU A 37 12.605 5.310 5.038 1.00 0.00 O ATOM 475 OE2 GLU A 37 12.952 7.474 4.875 1.00 0.00 O ATOM 0 H GLU A 37 9.465 9.466 6.865 1.00 0.00 H new ATOM 0 HA GLU A 37 9.754 8.259 5.025 1.00 0.00 H new ATOM 0 HB2 GLU A 37 9.487 5.945 6.981 1.00 0.00 H new ATOM 0 HB3 GLU A 37 9.977 5.751 5.310 1.00 0.00 H new ATOM 0 HG2 GLU A 37 11.512 7.763 6.873 1.00 0.00 H new ATOM 0 HG3 GLU A 37 11.701 6.098 7.387 1.00 0.00 H new ATOM 482 N PRO A 38 7.109 8.298 4.669 1.00 0.00 N ATOM 483 CA PRO A 38 5.793 8.079 4.061 1.00 0.00 C ATOM 484 C PRO A 38 5.886 7.341 2.730 1.00 0.00 C ATOM 485 O PRO A 38 4.897 6.795 2.242 1.00 0.00 O ATOM 486 CB PRO A 38 5.259 9.498 3.850 1.00 0.00 C ATOM 487 CG PRO A 38 6.477 10.350 3.749 1.00 0.00 C ATOM 488 CD PRO A 38 7.500 9.718 4.651 1.00 0.00 C ATOM 0 HA PRO A 38 5.153 7.457 4.687 1.00 0.00 H new ATOM 0 HB2 PRO A 38 4.654 9.563 2.945 1.00 0.00 H new ATOM 0 HB3 PRO A 38 4.625 9.810 4.680 1.00 0.00 H new ATOM 0 HG2 PRO A 38 6.838 10.395 2.721 1.00 0.00 H new ATOM 0 HG3 PRO A 38 6.264 11.374 4.057 1.00 0.00 H new ATOM 0 HD2 PRO A 38 8.511 9.851 4.267 1.00 0.00 H new ATOM 0 HD3 PRO A 38 7.478 10.153 5.650 1.00 0.00 H new ATOM 496 N ASN A 39 7.080 7.329 2.147 1.00 0.00 N ATOM 497 CA ASN A 39 7.301 6.658 0.871 1.00 0.00 C ATOM 498 C ASN A 39 7.485 5.157 1.071 1.00 0.00 C ATOM 499 O ASN A 39 7.188 4.361 0.180 1.00 0.00 O ATOM 500 CB ASN A 39 8.527 7.244 0.168 1.00 0.00 C ATOM 501 CG ASN A 39 9.829 6.772 0.786 1.00 0.00 C ATOM 502 OD1 ASN A 39 10.062 6.948 1.982 1.00 0.00 O ATOM 503 ND2 ASN A 39 10.685 6.167 -0.030 1.00 0.00 N ATOM 0 H ASN A 39 7.909 7.776 2.538 1.00 0.00 H new ATOM 0 HA ASN A 39 6.422 6.819 0.247 1.00 0.00 H new ATOM 0 HB2 ASN A 39 8.506 6.965 -0.886 1.00 0.00 H new ATOM 0 HB3 ASN A 39 8.481 8.332 0.211 1.00 0.00 H new ATOM 0 HD21 ASN A 39 11.577 5.827 0.328 1.00 0.00 H new ATOM 0 HD22 ASN A 39 10.450 6.043 -1.015 1.00 0.00 H new ATOM 510 N MET A 40 7.977 4.778 2.246 1.00 0.00 N ATOM 511 CA MET A 40 8.199 3.372 2.563 1.00 0.00 C ATOM 512 C MET A 40 7.064 2.822 3.422 1.00 0.00 C ATOM 513 O MET A 40 7.254 1.875 4.184 1.00 0.00 O ATOM 514 CB MET A 40 9.534 3.195 3.289 1.00 0.00 C ATOM 515 CG MET A 40 10.742 3.532 2.430 1.00 0.00 C ATOM 516 SD MET A 40 11.733 2.082 2.024 1.00 0.00 S ATOM 517 CE MET A 40 12.776 1.968 3.476 1.00 0.00 C ATOM 0 H MET A 40 8.229 5.424 2.994 1.00 0.00 H new ATOM 0 HA MET A 40 8.226 2.815 1.627 1.00 0.00 H new ATOM 0 HB2 MET A 40 9.542 3.827 4.177 1.00 0.00 H new ATOM 0 HB3 MET A 40 9.618 2.164 3.631 1.00 0.00 H new ATOM 0 HG2 MET A 40 10.406 4.007 1.508 1.00 0.00 H new ATOM 0 HG3 MET A 40 11.364 4.257 2.954 1.00 0.00 H new ATOM 0 HE1 MET A 40 13.496 1.160 3.345 1.00 0.00 H new ATOM 0 HE2 MET A 40 13.308 2.909 3.616 1.00 0.00 H new ATOM 0 HE3 MET A 40 12.159 1.766 4.352 1.00 0.00 H new ATOM 527 N GLN A 41 5.886 3.424 3.292 1.00 0.00 N ATOM 528 CA GLN A 41 4.721 2.994 4.057 1.00 0.00 C ATOM 529 C GLN A 41 3.738 2.235 3.172 1.00 0.00 C ATOM 530 O GLN A 41 3.357 2.709 2.101 1.00 0.00 O ATOM 531 CB GLN A 41 4.028 4.201 4.692 1.00 0.00 C ATOM 532 CG GLN A 41 4.567 4.559 6.067 1.00 0.00 C ATOM 533 CD GLN A 41 4.240 5.983 6.470 1.00 0.00 C ATOM 534 OE1 GLN A 41 5.097 6.711 6.973 1.00 0.00 O ATOM 535 NE2 GLN A 41 2.996 6.390 6.249 1.00 0.00 N ATOM 0 H GLN A 41 5.713 4.210 2.665 1.00 0.00 H new ATOM 0 HA GLN A 41 5.063 2.324 4.846 1.00 0.00 H new ATOM 0 HB2 GLN A 41 4.139 5.062 4.032 1.00 0.00 H new ATOM 0 HB3 GLN A 41 2.960 3.996 4.772 1.00 0.00 H new ATOM 0 HG2 GLN A 41 4.153 3.872 6.805 1.00 0.00 H new ATOM 0 HG3 GLN A 41 5.648 4.422 6.076 1.00 0.00 H new ATOM 0 HE21 GLN A 41 2.318 5.753 5.830 1.00 0.00 H new ATOM 0 HE22 GLN A 41 2.718 7.339 6.498 1.00 0.00 H new ATOM 544 N LEU A 42 3.331 1.055 3.627 1.00 0.00 N ATOM 545 CA LEU A 42 2.391 0.229 2.876 1.00 0.00 C ATOM 546 C LEU A 42 0.976 0.380 3.424 1.00 0.00 C ATOM 547 O LEU A 42 0.724 0.125 4.602 1.00 0.00 O ATOM 548 CB LEU A 42 2.817 -1.239 2.929 1.00 0.00 C ATOM 549 CG LEU A 42 4.319 -1.507 2.816 1.00 0.00 C ATOM 550 CD1 LEU A 42 4.599 -3.001 2.858 1.00 0.00 C ATOM 551 CD2 LEU A 42 4.875 -0.894 1.539 1.00 0.00 C ATOM 0 H LEU A 42 3.637 0.649 4.511 1.00 0.00 H new ATOM 0 HA LEU A 42 2.397 0.565 1.839 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.462 -1.666 3.867 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.311 -1.773 2.124 1.00 0.00 H new ATOM 0 HG LEU A 42 4.817 -1.041 3.666 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.672 -3.172 2.776 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.236 -3.413 3.800 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.089 -3.490 2.028 1.00 0.00 H new ATOM 0 HD21 LEU A 42 5.945 -1.094 1.475 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.372 -1.331 0.677 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.708 0.183 1.550 1.00 0.00 H new ATOM 563 N LEU A 43 0.054 0.793 2.561 1.00 0.00 N ATOM 564 CA LEU A 43 -1.338 0.975 2.957 1.00 0.00 C ATOM 565 C LEU A 43 -2.141 -0.301 2.728 1.00 0.00 C ATOM 566 O LEU A 43 -1.950 -0.996 1.730 1.00 0.00 O ATOM 567 CB LEU A 43 -1.964 2.132 2.177 1.00 0.00 C ATOM 568 CG LEU A 43 -2.521 3.283 3.015 1.00 0.00 C ATOM 569 CD1 LEU A 43 -3.758 2.837 3.780 1.00 0.00 C ATOM 570 CD2 LEU A 43 -1.461 3.809 3.971 1.00 0.00 C ATOM 0 H LEU A 43 0.245 1.008 1.582 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.359 1.209 4.021 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.213 2.534 1.498 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.770 1.734 1.561 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.807 4.091 2.342 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -4.140 3.669 4.371 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -4.523 2.510 3.076 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -3.498 2.011 4.442 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.876 4.628 4.559 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.143 3.008 4.638 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.604 4.169 3.402 1.00 0.00 H new ATOM 582 N CYS A 44 -3.042 -0.602 3.657 1.00 0.00 N ATOM 583 CA CYS A 44 -3.876 -1.794 3.557 1.00 0.00 C ATOM 584 C CYS A 44 -5.078 -1.540 2.652 1.00 0.00 C ATOM 585 O CYS A 44 -5.617 -0.434 2.612 1.00 0.00 O ATOM 586 CB CYS A 44 -4.351 -2.228 4.945 1.00 0.00 C ATOM 587 SG CYS A 44 -5.338 -3.759 4.947 1.00 0.00 S ATOM 0 H CYS A 44 -3.213 -0.036 4.488 1.00 0.00 H new ATOM 0 HA CYS A 44 -3.276 -2.592 3.121 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -3.482 -2.368 5.588 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -4.945 -1.425 5.382 1.00 0.00 H new ATOM 592 N ASP A 45 -5.494 -2.573 1.927 1.00 0.00 N ATOM 593 CA ASP A 45 -6.633 -2.464 1.023 1.00 0.00 C ATOM 594 C ASP A 45 -7.912 -2.949 1.699 1.00 0.00 C ATOM 595 O ASP A 45 -8.794 -3.508 1.050 1.00 0.00 O ATOM 596 CB ASP A 45 -6.379 -3.270 -0.252 1.00 0.00 C ATOM 597 CG ASP A 45 -6.678 -2.476 -1.508 1.00 0.00 C ATOM 598 OD1 ASP A 45 -6.196 -1.328 -1.613 1.00 0.00 O ATOM 599 OD2 ASP A 45 -7.393 -3.001 -2.387 1.00 0.00 O ATOM 0 H ASP A 45 -5.059 -3.495 1.948 1.00 0.00 H new ATOM 0 HA ASP A 45 -6.757 -1.413 0.761 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -5.339 -3.596 -0.271 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -6.995 -4.169 -0.239 1.00 0.00 H new ATOM 604 N GLU A 46 -8.002 -2.731 3.008 1.00 0.00 N ATOM 605 CA GLU A 46 -9.172 -3.148 3.771 1.00 0.00 C ATOM 606 C GLU A 46 -9.459 -2.168 4.906 1.00 0.00 C ATOM 607 O GLU A 46 -10.516 -1.537 4.944 1.00 0.00 O ATOM 608 CB GLU A 46 -8.965 -4.554 4.338 1.00 0.00 C ATOM 609 CG GLU A 46 -10.232 -5.177 4.900 1.00 0.00 C ATOM 610 CD GLU A 46 -11.333 -5.295 3.864 1.00 0.00 C ATOM 611 OE1 GLU A 46 -12.037 -4.291 3.630 1.00 0.00 O ATOM 612 OE2 GLU A 46 -11.490 -6.392 3.288 1.00 0.00 O ATOM 0 H GLU A 46 -7.280 -2.269 3.561 1.00 0.00 H new ATOM 0 HA GLU A 46 -10.028 -3.158 3.097 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -8.571 -5.199 3.553 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -8.211 -4.512 5.124 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -10.002 -6.167 5.294 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -10.588 -4.576 5.736 1.00 0.00 H new ATOM 619 N CYS A 47 -8.510 -2.046 5.828 1.00 0.00 N ATOM 620 CA CYS A 47 -8.659 -1.144 6.964 1.00 0.00 C ATOM 621 C CYS A 47 -7.985 0.196 6.687 1.00 0.00 C ATOM 622 O CYS A 47 -8.217 1.177 7.393 1.00 0.00 O ATOM 623 CB CYS A 47 -8.063 -1.776 8.224 1.00 0.00 C ATOM 624 SG CYS A 47 -6.285 -2.151 8.099 1.00 0.00 S ATOM 0 H CYS A 47 -7.629 -2.560 5.811 1.00 0.00 H new ATOM 0 HA CYS A 47 -9.723 -0.969 7.121 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -8.223 -1.102 9.066 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -8.603 -2.697 8.446 1.00 0.00 H new ATOM 629 N ASN A 48 -7.150 0.230 5.653 1.00 0.00 N ATOM 630 CA ASN A 48 -6.442 1.450 5.282 1.00 0.00 C ATOM 631 C ASN A 48 -5.491 1.886 6.392 1.00 0.00 C ATOM 632 O ASN A 48 -5.684 2.931 7.015 1.00 0.00 O ATOM 633 CB ASN A 48 -7.439 2.571 4.979 1.00 0.00 C ATOM 634 CG ASN A 48 -8.540 2.125 4.036 1.00 0.00 C ATOM 635 OD1 ASN A 48 -9.458 1.406 4.432 1.00 0.00 O ATOM 636 ND2 ASN A 48 -8.454 2.552 2.782 1.00 0.00 N ATOM 0 H ASN A 48 -6.947 -0.573 5.058 1.00 0.00 H new ATOM 0 HA ASN A 48 -5.856 1.242 4.387 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -7.882 2.921 5.911 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -6.909 3.417 4.541 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -9.167 2.286 2.103 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -7.675 3.147 2.498 1.00 0.00 H new ATOM 643 N VAL A 49 -4.464 1.079 6.635 1.00 0.00 N ATOM 644 CA VAL A 49 -3.481 1.382 7.669 1.00 0.00 C ATOM 645 C VAL A 49 -2.075 1.456 7.086 1.00 0.00 C ATOM 646 O VAL A 49 -1.708 0.662 6.220 1.00 0.00 O ATOM 647 CB VAL A 49 -3.505 0.327 8.792 1.00 0.00 C ATOM 648 CG1 VAL A 49 -3.080 -1.032 8.257 1.00 0.00 C ATOM 649 CG2 VAL A 49 -2.612 0.758 9.946 1.00 0.00 C ATOM 0 H VAL A 49 -4.290 0.210 6.130 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.749 2.353 8.086 1.00 0.00 H new ATOM 0 HB VAL A 49 -4.526 0.241 9.165 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -3.103 -1.764 9.064 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -3.763 -1.342 7.466 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -2.068 -0.965 7.856 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -2.641 0.002 10.730 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -1.588 0.873 9.590 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -2.967 1.708 10.345 1.00 0.00 H new ATOM 659 N ALA A 50 -1.290 2.414 7.568 1.00 0.00 N ATOM 660 CA ALA A 50 0.078 2.591 7.096 1.00 0.00 C ATOM 661 C ALA A 50 1.059 1.793 7.948 1.00 0.00 C ATOM 662 O ALA A 50 1.118 1.961 9.167 1.00 0.00 O ATOM 663 CB ALA A 50 0.451 4.066 7.099 1.00 0.00 C ATOM 0 H ALA A 50 -1.578 3.080 8.285 1.00 0.00 H new ATOM 0 HA ALA A 50 0.136 2.216 6.074 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.475 4.183 6.744 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -0.225 4.614 6.443 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.371 4.460 8.112 1.00 0.00 H new ATOM 669 N TYR A 51 1.828 0.925 7.301 1.00 0.00 N ATOM 670 CA TYR A 51 2.805 0.099 8.000 1.00 0.00 C ATOM 671 C TYR A 51 4.157 0.138 7.293 1.00 0.00 C ATOM 672 O TYR A 51 4.231 0.072 6.066 1.00 0.00 O ATOM 673 CB TYR A 51 2.308 -1.345 8.095 1.00 0.00 C ATOM 674 CG TYR A 51 1.438 -1.608 9.303 1.00 0.00 C ATOM 675 CD1 TYR A 51 1.954 -1.511 10.590 1.00 0.00 C ATOM 676 CD2 TYR A 51 0.100 -1.951 9.158 1.00 0.00 C ATOM 677 CE1 TYR A 51 1.163 -1.751 11.696 1.00 0.00 C ATOM 678 CE2 TYR A 51 -0.699 -2.192 10.259 1.00 0.00 C ATOM 679 CZ TYR A 51 -0.163 -2.090 11.526 1.00 0.00 C ATOM 680 OH TYR A 51 -0.955 -2.329 12.626 1.00 0.00 O ATOM 0 H TYR A 51 1.794 0.775 6.293 1.00 0.00 H new ATOM 0 HA TYR A 51 2.930 0.501 9.006 1.00 0.00 H new ATOM 0 HB2 TYR A 51 1.746 -1.587 7.193 1.00 0.00 H new ATOM 0 HB3 TYR A 51 3.167 -2.015 8.124 1.00 0.00 H new ATOM 0 HD1 TYR A 51 2.991 -1.243 10.727 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -0.323 -2.031 8.168 1.00 0.00 H new ATOM 0 HE1 TYR A 51 1.580 -1.674 12.689 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -1.737 -2.459 10.128 1.00 0.00 H new ATOM 0 HH TYR A 51 -1.863 -2.555 12.333 1.00 0.00 H new ATOM 690 N HIS A 52 5.224 0.246 8.078 1.00 0.00 N ATOM 691 CA HIS A 52 6.575 0.292 7.529 1.00 0.00 C ATOM 692 C HIS A 52 6.980 -1.067 6.966 1.00 0.00 C ATOM 693 O HIS A 52 6.381 -2.090 7.298 1.00 0.00 O ATOM 694 CB HIS A 52 7.570 0.729 8.605 1.00 0.00 C ATOM 695 CG HIS A 52 7.353 2.130 9.088 1.00 0.00 C ATOM 696 ND1 HIS A 52 7.852 2.599 10.285 1.00 0.00 N ATOM 697 CD2 HIS A 52 6.688 3.167 8.527 1.00 0.00 C ATOM 698 CE1 HIS A 52 7.501 3.863 10.441 1.00 0.00 C ATOM 699 NE2 HIS A 52 6.795 4.232 9.387 1.00 0.00 N ATOM 0 H HIS A 52 5.180 0.303 9.095 1.00 0.00 H new ATOM 0 HA HIS A 52 6.586 1.019 6.717 1.00 0.00 H new ATOM 0 HB2 HIS A 52 7.500 0.046 9.452 1.00 0.00 H new ATOM 0 HB3 HIS A 52 8.582 0.643 8.209 1.00 0.00 H new ATOM 0 HD2 HIS A 52 6.170 3.158 7.579 1.00 0.00 H new ATOM 0 HE1 HIS A 52 7.749 4.488 11.286 1.00 0.00 H new ATOM 0 HE2 HIS A 52 6.394 5.158 9.237 1.00 0.00 H new ATOM 707 N ILE A 53 7.999 -1.068 6.113 1.00 0.00 N ATOM 708 CA ILE A 53 8.483 -2.301 5.505 1.00 0.00 C ATOM 709 C ILE A 53 9.408 -3.056 6.454 1.00 0.00 C ATOM 710 O ILE A 53 9.709 -4.230 6.241 1.00 0.00 O ATOM 711 CB ILE A 53 9.232 -2.023 4.189 1.00 0.00 C ATOM 712 CG1 ILE A 53 10.429 -1.104 4.442 1.00 0.00 C ATOM 713 CG2 ILE A 53 8.291 -1.407 3.164 1.00 0.00 C ATOM 714 CD1 ILE A 53 11.694 -1.552 3.743 1.00 0.00 C ATOM 0 H ILE A 53 8.505 -0.229 5.828 1.00 0.00 H new ATOM 0 HA ILE A 53 7.607 -2.913 5.292 1.00 0.00 H new ATOM 0 HB ILE A 53 9.602 -2.968 3.792 1.00 0.00 H new ATOM 0 HG12 ILE A 53 10.179 -0.096 4.112 1.00 0.00 H new ATOM 0 HG13 ILE A 53 10.616 -1.051 5.515 1.00 0.00 H new ATOM 0 HG21 ILE A 53 8.835 -1.216 2.239 1.00 0.00 H new ATOM 0 HG22 ILE A 53 7.468 -2.094 2.966 1.00 0.00 H new ATOM 0 HG23 ILE A 53 7.894 -0.469 3.552 1.00 0.00 H new ATOM 0 HD11 ILE A 53 12.500 -0.854 3.967 1.00 0.00 H new ATOM 0 HD12 ILE A 53 11.969 -2.548 4.091 1.00 0.00 H new ATOM 0 HD13 ILE A 53 11.525 -1.578 2.666 1.00 0.00 H new ATOM 726 N TYR A 54 9.855 -2.373 7.502 1.00 0.00 N ATOM 727 CA TYR A 54 10.747 -2.978 8.484 1.00 0.00 C ATOM 728 C TYR A 54 10.074 -3.068 9.850 1.00 0.00 C ATOM 729 O TYR A 54 10.741 -3.091 10.885 1.00 0.00 O ATOM 730 CB TYR A 54 12.042 -2.172 8.594 1.00 0.00 C ATOM 731 CG TYR A 54 11.819 -0.680 8.700 1.00 0.00 C ATOM 732 CD1 TYR A 54 11.539 -0.085 9.923 1.00 0.00 C ATOM 733 CD2 TYR A 54 11.889 0.134 7.576 1.00 0.00 C ATOM 734 CE1 TYR A 54 11.333 1.278 10.025 1.00 0.00 C ATOM 735 CE2 TYR A 54 11.687 1.498 7.668 1.00 0.00 C ATOM 736 CZ TYR A 54 11.409 2.065 8.894 1.00 0.00 C ATOM 737 OH TYR A 54 11.206 3.422 8.991 1.00 0.00 O ATOM 0 H TYR A 54 9.614 -1.400 7.693 1.00 0.00 H new ATOM 0 HA TYR A 54 10.983 -3.988 8.148 1.00 0.00 H new ATOM 0 HB2 TYR A 54 12.598 -2.511 9.468 1.00 0.00 H new ATOM 0 HB3 TYR A 54 12.663 -2.377 7.722 1.00 0.00 H new ATOM 0 HD1 TYR A 54 11.481 -0.698 10.810 1.00 0.00 H new ATOM 0 HD2 TYR A 54 12.105 -0.307 6.614 1.00 0.00 H new ATOM 0 HE1 TYR A 54 11.114 1.724 10.984 1.00 0.00 H new ATOM 0 HE2 TYR A 54 11.747 2.117 6.785 1.00 0.00 H new ATOM 0 HH TYR A 54 11.295 3.830 8.105 1.00 0.00 H new ATOM 747 N CYS A 55 8.746 -3.118 9.846 1.00 0.00 N ATOM 748 CA CYS A 55 7.979 -3.205 11.082 1.00 0.00 C ATOM 749 C CYS A 55 6.856 -4.230 10.955 1.00 0.00 C ATOM 750 O CYS A 55 5.879 -4.194 11.705 1.00 0.00 O ATOM 751 CB CYS A 55 7.397 -1.837 11.443 1.00 0.00 C ATOM 752 SG CYS A 55 8.646 -0.598 11.914 1.00 0.00 S ATOM 0 H CYS A 55 8.178 -3.100 8.999 1.00 0.00 H new ATOM 0 HA CYS A 55 8.653 -3.527 11.876 1.00 0.00 H new ATOM 0 HB2 CYS A 55 6.829 -1.460 10.592 1.00 0.00 H new ATOM 0 HB3 CYS A 55 6.694 -1.959 12.267 1.00 0.00 H new ATOM 757 N LEU A 56 7.002 -5.144 10.002 1.00 0.00 N ATOM 758 CA LEU A 56 6.001 -6.181 9.776 1.00 0.00 C ATOM 759 C LEU A 56 6.327 -7.437 10.578 1.00 0.00 C ATOM 760 O LEU A 56 7.304 -7.472 11.325 1.00 0.00 O ATOM 761 CB LEU A 56 5.917 -6.520 8.287 1.00 0.00 C ATOM 762 CG LEU A 56 5.117 -5.547 7.421 1.00 0.00 C ATOM 763 CD1 LEU A 56 5.211 -5.937 5.954 1.00 0.00 C ATOM 764 CD2 LEU A 56 3.664 -5.504 7.871 1.00 0.00 C ATOM 0 H LEU A 56 7.804 -5.188 9.373 1.00 0.00 H new ATOM 0 HA LEU A 56 5.036 -5.799 10.110 1.00 0.00 H new ATOM 0 HB2 LEU A 56 6.931 -6.579 7.891 1.00 0.00 H new ATOM 0 HB3 LEU A 56 5.477 -7.512 8.185 1.00 0.00 H new ATOM 0 HG LEU A 56 5.543 -4.551 7.539 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.635 -5.233 5.353 1.00 0.00 H new ATOM 0 HD12 LEU A 56 6.254 -5.916 5.638 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.811 -6.942 5.818 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.109 -4.806 7.244 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.226 -6.498 7.783 1.00 0.00 H new ATOM 0 HD23 LEU A 56 3.614 -5.176 8.909 1.00 0.00 H new ATOM 776 N ASN A 57 5.503 -8.466 10.417 1.00 0.00 N ATOM 777 CA ASN A 57 5.704 -9.725 11.125 1.00 0.00 C ATOM 778 C ASN A 57 5.218 -10.904 10.287 1.00 0.00 C ATOM 779 O ASN A 57 4.036 -11.249 10.282 1.00 0.00 O ATOM 780 CB ASN A 57 4.971 -9.702 12.467 1.00 0.00 C ATOM 781 CG ASN A 57 5.900 -9.399 13.628 1.00 0.00 C ATOM 782 OD1 ASN A 57 6.424 -8.291 13.744 1.00 0.00 O ATOM 783 ND2 ASN A 57 6.107 -10.385 14.493 1.00 0.00 N ATOM 0 H ASN A 57 4.689 -8.453 9.802 1.00 0.00 H new ATOM 0 HA ASN A 57 6.772 -9.846 11.304 1.00 0.00 H new ATOM 0 HB2 ASN A 57 4.180 -8.953 12.433 1.00 0.00 H new ATOM 0 HB3 ASN A 57 4.490 -10.666 12.632 1.00 0.00 H new ATOM 0 HD21 ASN A 57 6.722 -10.240 15.294 1.00 0.00 H new ATOM 0 HD22 ASN A 57 5.651 -11.287 14.357 1.00 0.00 H new ATOM 790 N PRO A 58 6.150 -11.539 9.562 1.00 0.00 N ATOM 791 CA PRO A 58 7.560 -11.138 9.559 1.00 0.00 C ATOM 792 C PRO A 58 7.782 -9.804 8.856 1.00 0.00 C ATOM 793 O PRO A 58 6.895 -9.271 8.189 1.00 0.00 O ATOM 794 CB PRO A 58 8.249 -12.269 8.791 1.00 0.00 C ATOM 795 CG PRO A 58 7.184 -12.837 7.918 1.00 0.00 C ATOM 796 CD PRO A 58 5.900 -12.698 8.688 1.00 0.00 C ATOM 0 HA PRO A 58 7.945 -10.994 10.569 1.00 0.00 H new ATOM 0 HB2 PRO A 58 9.086 -11.895 8.202 1.00 0.00 H new ATOM 0 HB3 PRO A 58 8.648 -13.023 9.470 1.00 0.00 H new ATOM 0 HG2 PRO A 58 7.130 -12.302 6.970 1.00 0.00 H new ATOM 0 HG3 PRO A 58 7.387 -13.882 7.684 1.00 0.00 H new ATOM 0 HD2 PRO A 58 5.051 -12.526 8.026 1.00 0.00 H new ATOM 0 HD3 PRO A 58 5.678 -13.596 9.265 1.00 0.00 H new ATOM 804 N PRO A 59 8.994 -9.248 9.007 1.00 0.00 N ATOM 805 CA PRO A 59 9.360 -7.969 8.393 1.00 0.00 C ATOM 806 C PRO A 59 9.487 -8.069 6.877 1.00 0.00 C ATOM 807 O PRO A 59 9.230 -9.121 6.290 1.00 0.00 O ATOM 808 CB PRO A 59 10.718 -7.649 9.024 1.00 0.00 C ATOM 809 CG PRO A 59 11.278 -8.974 9.410 1.00 0.00 C ATOM 810 CD PRO A 59 10.099 -9.827 9.789 1.00 0.00 C ATOM 0 HA PRO A 59 8.604 -7.203 8.564 1.00 0.00 H new ATOM 0 HB2 PRO A 59 11.370 -7.134 8.319 1.00 0.00 H new ATOM 0 HB3 PRO A 59 10.608 -6.998 9.891 1.00 0.00 H new ATOM 0 HG2 PRO A 59 11.832 -9.419 8.584 1.00 0.00 H new ATOM 0 HG3 PRO A 59 11.973 -8.876 10.244 1.00 0.00 H new ATOM 0 HD2 PRO A 59 10.264 -10.875 9.537 1.00 0.00 H new ATOM 0 HD3 PRO A 59 9.899 -9.784 10.860 1.00 0.00 H new ATOM 818 N LEU A 60 9.886 -6.969 6.248 1.00 0.00 N ATOM 819 CA LEU A 60 10.048 -6.933 4.798 1.00 0.00 C ATOM 820 C LEU A 60 11.376 -6.289 4.415 1.00 0.00 C ATOM 821 O LEU A 60 11.632 -5.129 4.739 1.00 0.00 O ATOM 822 CB LEU A 60 8.891 -6.166 4.155 1.00 0.00 C ATOM 823 CG LEU A 60 7.822 -7.016 3.468 1.00 0.00 C ATOM 824 CD1 LEU A 60 6.715 -6.133 2.912 1.00 0.00 C ATOM 825 CD2 LEU A 60 8.440 -7.860 2.364 1.00 0.00 C ATOM 0 H LEU A 60 10.103 -6.091 6.719 1.00 0.00 H new ATOM 0 HA LEU A 60 10.044 -7.959 4.430 1.00 0.00 H new ATOM 0 HB2 LEU A 60 8.408 -5.564 4.925 1.00 0.00 H new ATOM 0 HB3 LEU A 60 9.304 -5.474 3.421 1.00 0.00 H new ATOM 0 HG LEU A 60 7.386 -7.687 4.208 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.963 -6.755 2.426 1.00 0.00 H new ATOM 0 HD12 LEU A 60 6.253 -5.573 3.725 1.00 0.00 H new ATOM 0 HD13 LEU A 60 7.135 -5.437 2.185 1.00 0.00 H new ATOM 0 HD21 LEU A 60 7.664 -8.458 1.886 1.00 0.00 H new ATOM 0 HD22 LEU A 60 8.903 -7.208 1.623 1.00 0.00 H new ATOM 0 HD23 LEU A 60 9.196 -8.519 2.790 1.00 0.00 H new ATOM 837 N ASP A 61 12.217 -7.048 3.721 1.00 0.00 N ATOM 838 CA ASP A 61 13.518 -6.550 3.290 1.00 0.00 C ATOM 839 C ASP A 61 13.371 -5.247 2.510 1.00 0.00 C ATOM 840 O ASP A 61 14.276 -4.413 2.495 1.00 0.00 O ATOM 841 CB ASP A 61 14.228 -7.596 2.429 1.00 0.00 C ATOM 842 CG ASP A 61 14.958 -8.632 3.261 1.00 0.00 C ATOM 843 OD1 ASP A 61 14.773 -8.639 4.496 1.00 0.00 O ATOM 844 OD2 ASP A 61 15.714 -9.436 2.677 1.00 0.00 O ATOM 0 H ASP A 61 12.021 -8.010 3.445 1.00 0.00 H new ATOM 0 HA ASP A 61 14.117 -6.354 4.179 1.00 0.00 H new ATOM 0 HB2 ASP A 61 13.497 -8.095 1.792 1.00 0.00 H new ATOM 0 HB3 ASP A 61 14.938 -7.098 1.769 1.00 0.00 H new ATOM 849 N LYS A 62 12.223 -5.078 1.862 1.00 0.00 N ATOM 850 CA LYS A 62 11.955 -3.877 1.080 1.00 0.00 C ATOM 851 C LYS A 62 10.470 -3.764 0.748 1.00 0.00 C ATOM 852 O LYS A 62 9.651 -4.531 1.253 1.00 0.00 O ATOM 853 CB LYS A 62 12.777 -3.890 -0.211 1.00 0.00 C ATOM 854 CG LYS A 62 12.322 -4.939 -1.211 1.00 0.00 C ATOM 855 CD LYS A 62 13.094 -4.837 -2.516 1.00 0.00 C ATOM 856 CE LYS A 62 12.170 -4.941 -3.720 1.00 0.00 C ATOM 857 NZ LYS A 62 11.930 -3.614 -4.352 1.00 0.00 N ATOM 0 H LYS A 62 11.463 -5.758 1.863 1.00 0.00 H new ATOM 0 HA LYS A 62 12.243 -3.013 1.678 1.00 0.00 H new ATOM 0 HB2 LYS A 62 12.721 -2.907 -0.678 1.00 0.00 H new ATOM 0 HB3 LYS A 62 13.824 -4.066 0.036 1.00 0.00 H new ATOM 0 HG2 LYS A 62 12.457 -5.933 -0.784 1.00 0.00 H new ATOM 0 HG3 LYS A 62 11.257 -4.818 -1.407 1.00 0.00 H new ATOM 0 HD2 LYS A 62 13.631 -3.889 -2.549 1.00 0.00 H new ATOM 0 HD3 LYS A 62 13.842 -5.629 -2.560 1.00 0.00 H new ATOM 0 HE2 LYS A 62 12.605 -5.619 -4.454 1.00 0.00 H new ATOM 0 HE3 LYS A 62 11.218 -5.373 -3.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 11.296 -3.728 -5.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 11.491 -2.974 -3.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 12.835 -3.212 -4.670 1.00 0.00 H new ATOM 871 N VAL A 63 10.131 -2.803 -0.105 1.00 0.00 N ATOM 872 CA VAL A 63 8.745 -2.591 -0.506 1.00 0.00 C ATOM 873 C VAL A 63 8.332 -3.574 -1.596 1.00 0.00 C ATOM 874 O VAL A 63 9.053 -3.801 -2.568 1.00 0.00 O ATOM 875 CB VAL A 63 8.521 -1.155 -1.015 1.00 0.00 C ATOM 876 CG1 VAL A 63 7.066 -0.948 -1.408 1.00 0.00 C ATOM 877 CG2 VAL A 63 8.946 -0.144 0.041 1.00 0.00 C ATOM 0 H VAL A 63 10.797 -2.159 -0.532 1.00 0.00 H new ATOM 0 HA VAL A 63 8.131 -2.755 0.380 1.00 0.00 H new ATOM 0 HB VAL A 63 9.137 -1.002 -1.901 1.00 0.00 H new ATOM 0 HG11 VAL A 63 6.927 0.072 -1.765 1.00 0.00 H new ATOM 0 HG12 VAL A 63 6.800 -1.649 -2.199 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.427 -1.119 -0.542 1.00 0.00 H new ATOM 0 HG21 VAL A 63 8.781 0.866 -0.335 1.00 0.00 H new ATOM 0 HG22 VAL A 63 8.358 -0.295 0.946 1.00 0.00 H new ATOM 0 HG23 VAL A 63 10.004 -0.278 0.269 1.00 0.00 H new ATOM 887 N PRO A 64 7.143 -4.173 -1.432 1.00 0.00 N ATOM 888 CA PRO A 64 6.606 -5.142 -2.393 1.00 0.00 C ATOM 889 C PRO A 64 6.206 -4.489 -3.712 1.00 0.00 C ATOM 890 O PRO A 64 6.394 -3.288 -3.902 1.00 0.00 O ATOM 891 CB PRO A 64 5.374 -5.703 -1.679 1.00 0.00 C ATOM 892 CG PRO A 64 4.962 -4.629 -0.733 1.00 0.00 C ATOM 893 CD PRO A 64 6.231 -3.951 -0.298 1.00 0.00 C ATOM 0 HA PRO A 64 7.342 -5.900 -2.663 1.00 0.00 H new ATOM 0 HB2 PRO A 64 4.578 -5.934 -2.386 1.00 0.00 H new ATOM 0 HB3 PRO A 64 5.609 -6.627 -1.151 1.00 0.00 H new ATOM 0 HG2 PRO A 64 4.287 -3.922 -1.215 1.00 0.00 H new ATOM 0 HG3 PRO A 64 4.429 -5.045 0.122 1.00 0.00 H new ATOM 0 HD2 PRO A 64 6.075 -2.889 -0.110 1.00 0.00 H new ATOM 0 HD3 PRO A 64 6.622 -4.383 0.623 1.00 0.00 H new ATOM 901 N GLU A 65 5.653 -5.289 -4.619 1.00 0.00 N ATOM 902 CA GLU A 65 5.228 -4.787 -5.920 1.00 0.00 C ATOM 903 C GLU A 65 4.227 -5.739 -6.570 1.00 0.00 C ATOM 904 O GLU A 65 4.104 -5.786 -7.793 1.00 0.00 O ATOM 905 CB GLU A 65 6.437 -4.596 -6.838 1.00 0.00 C ATOM 906 CG GLU A 65 6.160 -3.693 -8.029 1.00 0.00 C ATOM 907 CD GLU A 65 6.624 -2.268 -7.801 1.00 0.00 C ATOM 908 OE1 GLU A 65 6.514 -1.784 -6.655 1.00 0.00 O ATOM 909 OE2 GLU A 65 7.098 -1.637 -8.769 1.00 0.00 O ATOM 0 H GLU A 65 5.489 -6.286 -4.477 1.00 0.00 H new ATOM 0 HA GLU A 65 4.741 -3.824 -5.768 1.00 0.00 H new ATOM 0 HB2 GLU A 65 7.260 -4.177 -6.259 1.00 0.00 H new ATOM 0 HB3 GLU A 65 6.765 -5.570 -7.200 1.00 0.00 H new ATOM 0 HG2 GLU A 65 6.659 -4.097 -8.910 1.00 0.00 H new ATOM 0 HG3 GLU A 65 5.091 -3.694 -8.240 1.00 0.00 H new ATOM 916 N GLU A 66 3.517 -6.497 -5.740 1.00 0.00 N ATOM 917 CA GLU A 66 2.529 -7.449 -6.234 1.00 0.00 C ATOM 918 C GLU A 66 1.206 -6.752 -6.538 1.00 0.00 C ATOM 919 O GLU A 66 1.126 -5.524 -6.539 1.00 0.00 O ATOM 920 CB GLU A 66 2.307 -8.565 -5.211 1.00 0.00 C ATOM 921 CG GLU A 66 3.596 -9.147 -4.656 1.00 0.00 C ATOM 922 CD GLU A 66 3.379 -10.462 -3.932 1.00 0.00 C ATOM 923 OE1 GLU A 66 3.041 -11.459 -4.603 1.00 0.00 O ATOM 924 OE2 GLU A 66 3.548 -10.492 -2.695 1.00 0.00 O ATOM 0 H GLU A 66 3.607 -6.470 -4.724 1.00 0.00 H new ATOM 0 HA GLU A 66 2.911 -7.884 -7.158 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.709 -8.177 -4.387 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.729 -9.363 -5.676 1.00 0.00 H new ATOM 0 HG2 GLU A 66 4.303 -9.298 -5.472 1.00 0.00 H new ATOM 0 HG3 GLU A 66 4.049 -8.430 -3.971 1.00 0.00 H new ATOM 931 N GLU A 67 0.171 -7.546 -6.795 1.00 0.00 N ATOM 932 CA GLU A 67 -1.148 -7.005 -7.102 1.00 0.00 C ATOM 933 C GLU A 67 -1.586 -6.003 -6.037 1.00 0.00 C ATOM 934 O GLU A 67 -2.000 -4.887 -6.353 1.00 0.00 O ATOM 935 CB GLU A 67 -2.175 -8.134 -7.207 1.00 0.00 C ATOM 936 CG GLU A 67 -2.551 -8.484 -8.637 1.00 0.00 C ATOM 937 CD GLU A 67 -1.708 -9.610 -9.203 1.00 0.00 C ATOM 938 OE1 GLU A 67 -0.465 -9.515 -9.133 1.00 0.00 O ATOM 939 OE2 GLU A 67 -2.293 -10.587 -9.717 1.00 0.00 O ATOM 0 H GLU A 67 0.220 -8.565 -6.797 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.087 -6.489 -8.060 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -1.777 -9.023 -6.717 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -3.075 -7.847 -6.664 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -3.602 -8.769 -8.673 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -2.439 -7.600 -9.265 1.00 0.00 H new ATOM 946 N TYR A 68 -1.492 -6.409 -4.776 1.00 0.00 N ATOM 947 CA TYR A 68 -1.880 -5.549 -3.665 1.00 0.00 C ATOM 948 C TYR A 68 -1.156 -5.952 -2.384 1.00 0.00 C ATOM 949 O TYR A 68 -0.491 -6.987 -2.334 1.00 0.00 O ATOM 950 CB TYR A 68 -3.393 -5.611 -3.449 1.00 0.00 C ATOM 951 CG TYR A 68 -4.142 -4.457 -4.076 1.00 0.00 C ATOM 952 CD1 TYR A 68 -4.151 -3.202 -3.479 1.00 0.00 C ATOM 953 CD2 TYR A 68 -4.842 -4.621 -5.265 1.00 0.00 C ATOM 954 CE1 TYR A 68 -4.834 -2.145 -4.047 1.00 0.00 C ATOM 955 CE2 TYR A 68 -5.527 -3.569 -5.842 1.00 0.00 C ATOM 956 CZ TYR A 68 -5.520 -2.333 -5.229 1.00 0.00 C ATOM 957 OH TYR A 68 -6.202 -1.283 -5.799 1.00 0.00 O ATOM 0 H TYR A 68 -1.150 -7.329 -4.498 1.00 0.00 H new ATOM 0 HA TYR A 68 -1.596 -4.527 -3.915 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -3.772 -6.546 -3.861 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -3.598 -5.628 -2.379 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -3.614 -3.051 -2.554 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -4.851 -5.588 -5.747 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -4.831 -1.177 -3.569 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -6.065 -3.713 -6.767 1.00 0.00 H new ATOM 0 HH TYR A 68 -6.630 -1.583 -6.628 1.00 0.00 H new ATOM 967 N TRP A 69 -1.290 -5.127 -1.352 1.00 0.00 N ATOM 968 CA TRP A 69 -0.649 -5.398 -0.070 1.00 0.00 C ATOM 969 C TRP A 69 -1.649 -5.279 1.074 1.00 0.00 C ATOM 970 O TRP A 69 -2.276 -4.236 1.258 1.00 0.00 O ATOM 971 CB TRP A 69 0.517 -4.433 0.154 1.00 0.00 C ATOM 972 CG TRP A 69 1.237 -4.662 1.448 1.00 0.00 C ATOM 973 CD1 TRP A 69 2.347 -5.433 1.644 1.00 0.00 C ATOM 974 CD2 TRP A 69 0.895 -4.116 2.727 1.00 0.00 C ATOM 975 NE1 TRP A 69 2.716 -5.399 2.967 1.00 0.00 N ATOM 976 CE2 TRP A 69 1.842 -4.598 3.652 1.00 0.00 C ATOM 977 CE3 TRP A 69 -0.117 -3.265 3.180 1.00 0.00 C ATOM 978 CZ2 TRP A 69 1.803 -4.257 5.002 1.00 0.00 C ATOM 979 CZ3 TRP A 69 -0.154 -2.929 4.520 1.00 0.00 C ATOM 980 CH2 TRP A 69 0.801 -3.423 5.418 1.00 0.00 C ATOM 0 H TRP A 69 -1.836 -4.266 -1.377 1.00 0.00 H new ATOM 0 HA TRP A 69 -0.268 -6.419 -0.091 1.00 0.00 H new ATOM 0 HB2 TRP A 69 1.224 -4.532 -0.669 1.00 0.00 H new ATOM 0 HB3 TRP A 69 0.142 -3.410 0.131 1.00 0.00 H new ATOM 0 HD1 TRP A 69 2.860 -5.988 0.872 1.00 0.00 H new ATOM 0 HE1 TRP A 69 3.512 -5.891 3.373 1.00 0.00 H new ATOM 0 HE3 TRP A 69 -0.857 -2.877 2.495 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 2.538 -4.637 5.696 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 -0.933 -2.274 4.881 1.00 0.00 H new ATOM 0 HH2 TRP A 69 0.745 -3.140 6.459 1.00 0.00 H new ATOM 991 N TYR A 70 -1.794 -6.354 1.841 1.00 0.00 N ATOM 992 CA TYR A 70 -2.721 -6.371 2.967 1.00 0.00 C ATOM 993 C TYR A 70 -1.974 -6.550 4.285 1.00 0.00 C ATOM 994 O TYR A 70 -1.201 -7.494 4.451 1.00 0.00 O ATOM 995 CB TYR A 70 -3.747 -7.492 2.793 1.00 0.00 C ATOM 996 CG TYR A 70 -4.760 -7.222 1.704 1.00 0.00 C ATOM 997 CD1 TYR A 70 -4.458 -7.467 0.370 1.00 0.00 C ATOM 998 CD2 TYR A 70 -6.020 -6.721 2.009 1.00 0.00 C ATOM 999 CE1 TYR A 70 -5.381 -7.221 -0.628 1.00 0.00 C ATOM 1000 CE2 TYR A 70 -6.950 -6.473 1.017 1.00 0.00 C ATOM 1001 CZ TYR A 70 -6.625 -6.725 -0.300 1.00 0.00 C ATOM 1002 OH TYR A 70 -7.547 -6.480 -1.291 1.00 0.00 O ATOM 0 H TYR A 70 -1.281 -7.225 1.704 1.00 0.00 H new ATOM 0 HA TYR A 70 -3.240 -5.413 2.992 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -3.223 -8.421 2.568 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -4.272 -7.643 3.736 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -3.485 -7.856 0.109 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -6.277 -6.522 3.039 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -5.129 -7.416 -1.660 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -7.925 -6.084 1.271 1.00 0.00 H new ATOM 0 HH TYR A 70 -8.372 -6.134 -0.892 1.00 0.00 H new ATOM 1012 N CYS A 71 -2.210 -5.636 5.220 1.00 0.00 N ATOM 1013 CA CYS A 71 -1.562 -5.691 6.525 1.00 0.00 C ATOM 1014 C CYS A 71 -1.732 -7.068 7.160 1.00 0.00 C ATOM 1015 O CYS A 71 -2.672 -7.805 6.860 1.00 0.00 O ATOM 1016 CB CYS A 71 -2.137 -4.616 7.449 1.00 0.00 C ATOM 1017 SG CYS A 71 -3.785 -5.013 8.116 1.00 0.00 S ATOM 0 H CYS A 71 -2.846 -4.848 5.098 1.00 0.00 H new ATOM 0 HA CYS A 71 -0.497 -5.506 6.382 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -1.449 -4.460 8.280 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -2.195 -3.675 6.902 1.00 0.00 H new ATOM 1022 N PRO A 72 -0.802 -7.424 8.059 1.00 0.00 N ATOM 1023 CA PRO A 72 -0.828 -8.713 8.756 1.00 0.00 C ATOM 1024 C PRO A 72 -1.974 -8.808 9.757 1.00 0.00 C ATOM 1025 O PRO A 72 -2.252 -9.879 10.297 1.00 0.00 O ATOM 1026 CB PRO A 72 0.520 -8.752 9.480 1.00 0.00 C ATOM 1027 CG PRO A 72 0.894 -7.321 9.661 1.00 0.00 C ATOM 1028 CD PRO A 72 0.345 -6.595 8.464 1.00 0.00 C ATOM 0 HA PRO A 72 -0.982 -9.545 8.069 1.00 0.00 H new ATOM 0 HB2 PRO A 72 0.440 -9.265 10.439 1.00 0.00 H new ATOM 0 HB3 PRO A 72 1.269 -9.286 8.895 1.00 0.00 H new ATOM 0 HG2 PRO A 72 0.476 -6.922 10.585 1.00 0.00 H new ATOM 0 HG3 PRO A 72 1.976 -7.205 9.725 1.00 0.00 H new ATOM 0 HD2 PRO A 72 0.038 -5.580 8.716 1.00 0.00 H new ATOM 0 HD3 PRO A 72 1.085 -6.516 7.668 1.00 0.00 H new ATOM 1036 N SER A 73 -2.635 -7.681 10.001 1.00 0.00 N ATOM 1037 CA SER A 73 -3.750 -7.637 10.941 1.00 0.00 C ATOM 1038 C SER A 73 -5.060 -7.995 10.247 1.00 0.00 C ATOM 1039 O SER A 73 -6.058 -8.304 10.899 1.00 0.00 O ATOM 1040 CB SER A 73 -3.857 -6.248 11.573 1.00 0.00 C ATOM 1041 OG SER A 73 -2.657 -5.515 11.398 1.00 0.00 O ATOM 0 H SER A 73 -2.418 -6.786 9.561 1.00 0.00 H new ATOM 0 HA SER A 73 -3.562 -8.371 11.724 1.00 0.00 H new ATOM 0 HB2 SER A 73 -4.688 -5.704 11.124 1.00 0.00 H new ATOM 0 HB3 SER A 73 -4.076 -6.345 12.636 1.00 0.00 H new ATOM 0 HG SER A 73 -2.751 -4.630 11.809 1.00 0.00 H new ATOM 1047 N CYS A 74 -5.050 -7.951 8.919 1.00 0.00 N ATOM 1048 CA CYS A 74 -6.237 -8.270 8.134 1.00 0.00 C ATOM 1049 C CYS A 74 -6.118 -9.656 7.506 1.00 0.00 C ATOM 1050 O CYS A 74 -7.021 -10.484 7.626 1.00 0.00 O ATOM 1051 CB CYS A 74 -6.448 -7.220 7.041 1.00 0.00 C ATOM 1052 SG CYS A 74 -7.318 -5.723 7.608 1.00 0.00 S ATOM 0 H CYS A 74 -4.233 -7.697 8.364 1.00 0.00 H new ATOM 0 HA CYS A 74 -7.097 -8.266 8.804 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -5.478 -6.932 6.636 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -7.014 -7.669 6.225 1.00 0.00 H new ATOM 1057 N LYS A 75 -4.997 -9.902 6.837 1.00 0.00 N ATOM 1058 CA LYS A 75 -4.757 -11.187 6.191 1.00 0.00 C ATOM 1059 C LYS A 75 -4.982 -12.337 7.167 1.00 0.00 C ATOM 1060 O LYS A 75 -4.231 -12.505 8.129 1.00 0.00 O ATOM 1061 CB LYS A 75 -3.331 -11.245 5.639 1.00 0.00 C ATOM 1062 CG LYS A 75 -2.926 -12.622 5.142 1.00 0.00 C ATOM 1063 CD LYS A 75 -1.559 -12.596 4.479 1.00 0.00 C ATOM 1064 CE LYS A 75 -1.393 -13.748 3.499 1.00 0.00 C ATOM 1065 NZ LYS A 75 -0.906 -13.280 2.172 1.00 0.00 N ATOM 0 H LYS A 75 -4.240 -9.228 6.728 1.00 0.00 H new ATOM 0 HA LYS A 75 -5.464 -11.289 5.367 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -3.238 -10.531 4.821 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -2.636 -10.930 6.417 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -2.913 -13.322 5.977 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -3.669 -12.987 4.432 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -1.425 -11.649 3.955 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -0.782 -12.651 5.242 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -0.691 -14.475 3.908 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -2.347 -14.261 3.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -0.806 -14.094 1.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -1.588 -12.606 1.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 0.016 -12.813 2.286 1.00 0.00 H new ATOM 1079 N THR A 76 -6.020 -13.128 6.914 1.00 0.00 N ATOM 1080 CA THR A 76 -6.344 -14.262 7.770 1.00 0.00 C ATOM 1081 C THR A 76 -6.549 -15.530 6.948 1.00 0.00 C ATOM 1082 O THR A 76 -7.456 -16.317 7.220 1.00 0.00 O ATOM 1083 CB THR A 76 -7.611 -13.993 8.603 1.00 0.00 C ATOM 1084 OG1 THR A 76 -8.662 -13.514 7.756 1.00 0.00 O ATOM 1085 CG2 THR A 76 -7.333 -12.976 9.699 1.00 0.00 C ATOM 0 H THR A 76 -6.651 -13.004 6.122 1.00 0.00 H new ATOM 0 HA THR A 76 -5.499 -14.402 8.444 1.00 0.00 H new ATOM 0 HB THR A 76 -7.918 -14.930 9.068 1.00 0.00 H new ATOM 0 HG1 THR A 76 -9.465 -13.347 8.293 1.00 0.00 H new ATOM 0 HG21 THR A 76 -8.243 -12.803 10.274 1.00 0.00 H new ATOM 0 HG22 THR A 76 -6.554 -13.357 10.359 1.00 0.00 H new ATOM 0 HG23 THR A 76 -7.003 -12.039 9.251 1.00 0.00 H new ATOM 1093 N ASP A 77 -5.701 -15.722 5.944 1.00 0.00 N ATOM 1094 CA ASP A 77 -5.788 -16.896 5.084 1.00 0.00 C ATOM 1095 C ASP A 77 -7.133 -16.944 4.365 1.00 0.00 C ATOM 1096 O ASP A 77 -7.210 -16.541 3.206 1.00 0.00 O ATOM 1097 CB ASP A 77 -5.588 -18.171 5.904 1.00 0.00 C ATOM 1098 CG ASP A 77 -4.401 -18.076 6.842 1.00 0.00 C ATOM 1099 OD1 ASP A 77 -3.272 -18.384 6.405 1.00 0.00 O ATOM 1100 OD2 ASP A 77 -4.601 -17.693 8.014 1.00 0.00 O ATOM 0 H ASP A 77 -4.945 -15.080 5.706 1.00 0.00 H new ATOM 0 HA ASP A 77 -4.998 -16.827 4.336 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -6.489 -18.372 6.483 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -5.447 -19.015 5.229 1.00 0.00 H new TER 1105 ASP A 77 HETATM 1106 ZN ZN A 201 7.494 1.414 11.932 1.00 0.00 ZN HETATM 1107 ZN ZN A 401 -5.622 -4.120 7.221 1.00 0.00 ZN HETATM 1108 ZN ZN A 601 -4.903 9.724 12.247 1.00 0.00 ZN