USER MOD reduce.3.24.130724 H: found=0, std=0, add=561, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 557 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 43 HIS HD1 : A 43 HIS ND1 : A 200 ZNZN :(H bumps) USER MOD Set 1.1: A 67 GLN : amide:sc= 0.271 K(o=0.67,f=-1.9!) USER MOD Set 1.2: A 69 TYR OH : rot 173:sc= 0.398 USER MOD Set 2.1: A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 41 SER OG : rot 15:sc= 0.696 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 33:sc= 0.664 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 CYS SG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0117) USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 LYS NZ :NH3+ -145:sc= -0.416 (180deg=-1.29!) USER MOD Single : A 22 LYS NZ :NH3+ 164:sc=-0.00761 (180deg=-0.164) USER MOD Single : A 23 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 26 THR OG1 : rot 55:sc= 1 USER MOD Single : A 30 LYS NZ :NH3+ -147:sc= -0.264 (180deg=-1.68!) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= -0.455 X(o=-0.45,f=-0.49) USER MOD Single : A 45 TYR OH : rot -68:sc= 0.245 USER MOD Single : A 48 HIS : no HE2:sc= -0.572 K(o=-0.57,f=-1.1) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ -151:sc= -0.0756 (180deg=-0.619) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -0.082 K(o=-0.082,f=-2.6!) USER MOD Single : A 58 ASN : amide:sc= -0.0236 X(o=-0.024,f=-0.024) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 HIS : no HD1:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 65 GLN : amide:sc= -0.0529 X(o=-0.053,f=-0.11) USER MOD Single : A 75 LYS NZ :NH3+ 149:sc= -0.21 (180deg=-1.14) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -15.635 -21.484 -14.303 1.00 0.00 N ATOM 2 CA GLY A 1 -16.128 -20.348 -13.547 1.00 0.00 C ATOM 3 C GLY A 1 -15.983 -20.541 -12.050 1.00 0.00 C ATOM 4 O GLY A 1 -14.869 -20.598 -11.531 1.00 0.00 O ATOM 0 H1 GLY A 1 -15.756 -21.303 -15.320 1.00 0.00 H new ATOM 0 H2 GLY A 1 -14.626 -21.628 -14.095 1.00 0.00 H new ATOM 0 H3 GLY A 1 -16.169 -22.336 -14.037 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -15.586 -19.452 -13.849 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -17.178 -20.182 -13.789 1.00 0.00 H new ATOM 8 N SER A 2 -17.112 -20.638 -11.356 1.00 0.00 N ATOM 9 CA SER A 2 -17.106 -20.820 -9.909 1.00 0.00 C ATOM 10 C SER A 2 -18.439 -21.383 -9.426 1.00 0.00 C ATOM 11 O SER A 2 -19.382 -21.526 -10.203 1.00 0.00 O ATOM 12 CB SER A 2 -16.817 -19.491 -9.208 1.00 0.00 C ATOM 13 OG SER A 2 -15.423 -19.290 -9.051 1.00 0.00 O ATOM 0 H SER A 2 -18.042 -20.594 -11.772 1.00 0.00 H new ATOM 0 HA SER A 2 -16.319 -21.533 -9.661 1.00 0.00 H new ATOM 0 HB2 SER A 2 -17.243 -18.671 -9.786 1.00 0.00 H new ATOM 0 HB3 SER A 2 -17.302 -19.478 -8.232 1.00 0.00 H new ATOM 0 HG SER A 2 -14.948 -19.686 -9.811 1.00 0.00 H new ATOM 19 N SER A 3 -18.508 -21.701 -8.137 1.00 0.00 N ATOM 20 CA SER A 3 -19.723 -22.252 -7.550 1.00 0.00 C ATOM 21 C SER A 3 -19.727 -22.068 -6.035 1.00 0.00 C ATOM 22 O SER A 3 -18.702 -21.745 -5.436 1.00 0.00 O ATOM 23 CB SER A 3 -19.854 -23.737 -7.895 1.00 0.00 C ATOM 24 OG SER A 3 -18.668 -24.442 -7.570 1.00 0.00 O ATOM 0 H SER A 3 -17.737 -21.586 -7.480 1.00 0.00 H new ATOM 0 HA SER A 3 -20.574 -21.713 -7.966 1.00 0.00 H new ATOM 0 HB2 SER A 3 -20.696 -24.167 -7.353 1.00 0.00 H new ATOM 0 HB3 SER A 3 -20.068 -23.849 -8.958 1.00 0.00 H new ATOM 0 HG SER A 3 -18.777 -25.389 -7.798 1.00 0.00 H new ATOM 30 N GLY A 4 -20.888 -22.277 -5.423 1.00 0.00 N ATOM 31 CA GLY A 4 -21.005 -22.129 -3.984 1.00 0.00 C ATOM 32 C GLY A 4 -21.487 -20.750 -3.579 1.00 0.00 C ATOM 33 O GLY A 4 -20.791 -20.027 -2.866 1.00 0.00 O ATOM 0 H GLY A 4 -21.750 -22.546 -5.898 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -21.696 -22.879 -3.600 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -20.037 -22.322 -3.522 1.00 0.00 H new ATOM 37 N SER A 5 -22.680 -20.385 -4.036 1.00 0.00 N ATOM 38 CA SER A 5 -23.252 -19.081 -3.722 1.00 0.00 C ATOM 39 C SER A 5 -24.153 -19.164 -2.494 1.00 0.00 C ATOM 40 O SER A 5 -25.329 -19.516 -2.595 1.00 0.00 O ATOM 41 CB SER A 5 -24.047 -18.548 -4.916 1.00 0.00 C ATOM 42 OG SER A 5 -23.316 -18.695 -6.121 1.00 0.00 O ATOM 0 H SER A 5 -23.269 -20.974 -4.625 1.00 0.00 H new ATOM 0 HA SER A 5 -22.433 -18.396 -3.505 1.00 0.00 H new ATOM 0 HB2 SER A 5 -24.994 -19.082 -4.994 1.00 0.00 H new ATOM 0 HB3 SER A 5 -24.286 -17.496 -4.758 1.00 0.00 H new ATOM 0 HG SER A 5 -23.846 -18.349 -6.869 1.00 0.00 H new ATOM 48 N SER A 6 -23.593 -18.839 -1.333 1.00 0.00 N ATOM 49 CA SER A 6 -24.343 -18.880 -0.084 1.00 0.00 C ATOM 50 C SER A 6 -25.590 -18.005 -0.169 1.00 0.00 C ATOM 51 O SER A 6 -26.711 -18.482 0.004 1.00 0.00 O ATOM 52 CB SER A 6 -23.463 -18.421 1.080 1.00 0.00 C ATOM 53 OG SER A 6 -24.048 -18.758 2.326 1.00 0.00 O ATOM 0 H SER A 6 -22.622 -18.544 -1.232 1.00 0.00 H new ATOM 0 HA SER A 6 -24.654 -19.910 0.089 1.00 0.00 H new ATOM 0 HB2 SER A 6 -22.479 -18.883 1.000 1.00 0.00 H new ATOM 0 HB3 SER A 6 -23.314 -17.343 1.024 1.00 0.00 H new ATOM 0 HG SER A 6 -23.465 -18.455 3.053 1.00 0.00 H new ATOM 59 N GLY A 7 -25.385 -16.719 -0.437 1.00 0.00 N ATOM 60 CA GLY A 7 -26.500 -15.796 -0.541 1.00 0.00 C ATOM 61 C GLY A 7 -26.273 -14.729 -1.594 1.00 0.00 C ATOM 62 O GLY A 7 -25.359 -14.838 -2.411 1.00 0.00 O ATOM 0 H GLY A 7 -24.467 -16.300 -0.584 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -27.407 -16.352 -0.781 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -26.664 -15.319 0.425 1.00 0.00 H new ATOM 66 N ASP A 8 -27.108 -13.695 -1.575 1.00 0.00 N ATOM 67 CA ASP A 8 -26.995 -12.604 -2.536 1.00 0.00 C ATOM 68 C ASP A 8 -27.054 -11.252 -1.832 1.00 0.00 C ATOM 69 O ASP A 8 -28.131 -10.772 -1.478 1.00 0.00 O ATOM 70 CB ASP A 8 -28.108 -12.698 -3.581 1.00 0.00 C ATOM 71 CG ASP A 8 -27.853 -13.790 -4.601 1.00 0.00 C ATOM 72 OD1 ASP A 8 -26.708 -13.890 -5.090 1.00 0.00 O ATOM 73 OD2 ASP A 8 -28.798 -14.544 -4.913 1.00 0.00 O ATOM 0 H ASP A 8 -27.870 -13.590 -0.905 1.00 0.00 H new ATOM 0 HA ASP A 8 -26.030 -12.692 -3.036 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -29.058 -12.887 -3.080 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -28.203 -11.741 -4.094 1.00 0.00 H new ATOM 78 N CYS A 9 -25.890 -10.643 -1.632 1.00 0.00 N ATOM 79 CA CYS A 9 -25.809 -9.347 -0.969 1.00 0.00 C ATOM 80 C CYS A 9 -25.171 -8.307 -1.884 1.00 0.00 C ATOM 81 O CYS A 9 -23.954 -8.122 -1.877 1.00 0.00 O ATOM 82 CB CYS A 9 -25.007 -9.464 0.328 1.00 0.00 C ATOM 83 SG CYS A 9 -25.966 -10.069 1.737 1.00 0.00 S ATOM 0 H CYS A 9 -24.990 -11.026 -1.920 1.00 0.00 H new ATOM 0 HA CYS A 9 -26.823 -9.023 -0.733 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -24.163 -10.134 0.162 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -24.594 -8.487 0.576 1.00 0.00 H new ATOM 0 HG CYS A 9 -25.201 -10.136 2.786 1.00 0.00 H new ATOM 89 N TYR A 10 -26.000 -7.631 -2.671 1.00 0.00 N ATOM 90 CA TYR A 10 -25.517 -6.612 -3.595 1.00 0.00 C ATOM 91 C TYR A 10 -24.682 -5.565 -2.864 1.00 0.00 C ATOM 92 O TYR A 10 -24.889 -5.305 -1.679 1.00 0.00 O ATOM 93 CB TYR A 10 -26.693 -5.937 -4.304 1.00 0.00 C ATOM 94 CG TYR A 10 -27.352 -6.811 -5.348 1.00 0.00 C ATOM 95 CD1 TYR A 10 -26.912 -6.805 -6.666 1.00 0.00 C ATOM 96 CD2 TYR A 10 -28.414 -7.642 -5.015 1.00 0.00 C ATOM 97 CE1 TYR A 10 -27.512 -7.600 -7.622 1.00 0.00 C ATOM 98 CE2 TYR A 10 -29.019 -8.443 -5.965 1.00 0.00 C ATOM 99 CZ TYR A 10 -28.565 -8.418 -7.267 1.00 0.00 C ATOM 100 OH TYR A 10 -29.164 -9.213 -8.217 1.00 0.00 O ATOM 0 H TYR A 10 -27.010 -7.770 -2.688 1.00 0.00 H new ATOM 0 HA TYR A 10 -24.886 -7.101 -4.337 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -27.437 -5.648 -3.562 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -26.343 -5.020 -4.778 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -26.087 -6.168 -6.947 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -28.773 -7.663 -3.997 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -27.159 -7.582 -8.643 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -29.843 -9.085 -5.689 1.00 0.00 H new ATOM 0 HH TYR A 10 -29.888 -9.728 -7.803 1.00 0.00 H new ATOM 110 N LYS A 11 -23.735 -4.968 -3.580 1.00 0.00 N ATOM 111 CA LYS A 11 -22.868 -3.948 -3.002 1.00 0.00 C ATOM 112 C LYS A 11 -23.187 -2.572 -3.580 1.00 0.00 C ATOM 113 O LYS A 11 -23.795 -2.461 -4.643 1.00 0.00 O ATOM 114 CB LYS A 11 -21.399 -4.293 -3.260 1.00 0.00 C ATOM 115 CG LYS A 11 -21.104 -4.658 -4.704 1.00 0.00 C ATOM 116 CD LYS A 11 -19.619 -4.566 -5.011 1.00 0.00 C ATOM 117 CE LYS A 11 -19.347 -4.720 -6.499 1.00 0.00 C ATOM 118 NZ LYS A 11 -19.706 -6.078 -6.992 1.00 0.00 N ATOM 0 H LYS A 11 -23.548 -5.173 -4.562 1.00 0.00 H new ATOM 0 HA LYS A 11 -23.046 -3.921 -1.927 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -20.780 -3.443 -2.975 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -21.112 -5.126 -2.618 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -21.455 -5.670 -4.903 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -21.656 -3.993 -5.368 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -19.234 -3.606 -4.667 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -19.084 -5.340 -4.460 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -19.915 -3.972 -7.051 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -18.292 -4.529 -6.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -19.474 -6.153 -8.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -19.170 -6.793 -6.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -20.725 -6.238 -6.858 1.00 0.00 H new ATOM 132 N ASN A 12 -22.770 -1.527 -2.871 1.00 0.00 N ATOM 133 CA ASN A 12 -23.011 -0.159 -3.315 1.00 0.00 C ATOM 134 C ASN A 12 -21.710 0.509 -3.750 1.00 0.00 C ATOM 135 O ASN A 12 -21.589 0.978 -4.882 1.00 0.00 O ATOM 136 CB ASN A 12 -23.665 0.654 -2.195 1.00 0.00 C ATOM 137 CG ASN A 12 -25.056 0.156 -1.856 1.00 0.00 C ATOM 138 OD1 ASN A 12 -25.221 -0.749 -1.038 1.00 0.00 O ATOM 139 ND2 ASN A 12 -26.066 0.747 -2.485 1.00 0.00 N ATOM 0 H ASN A 12 -22.264 -1.602 -1.988 1.00 0.00 H new ATOM 0 HA ASN A 12 -23.684 -0.194 -4.171 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -23.039 0.609 -1.304 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -23.720 1.701 -2.494 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -27.025 0.454 -2.297 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -25.882 1.493 -3.156 1.00 0.00 H new ATOM 146 N PHE A 13 -20.739 0.547 -2.844 1.00 0.00 N ATOM 147 CA PHE A 13 -19.447 1.157 -3.134 1.00 0.00 C ATOM 148 C PHE A 13 -18.312 0.353 -2.506 1.00 0.00 C ATOM 149 O PHE A 13 -18.462 -0.210 -1.422 1.00 0.00 O ATOM 150 CB PHE A 13 -19.412 2.598 -2.619 1.00 0.00 C ATOM 151 CG PHE A 13 -18.111 3.299 -2.889 1.00 0.00 C ATOM 152 CD1 PHE A 13 -17.921 4.006 -4.066 1.00 0.00 C ATOM 153 CD2 PHE A 13 -17.080 3.253 -1.965 1.00 0.00 C ATOM 154 CE1 PHE A 13 -16.725 4.651 -4.316 1.00 0.00 C ATOM 155 CE2 PHE A 13 -15.882 3.898 -2.210 1.00 0.00 C ATOM 156 CZ PHE A 13 -15.705 4.598 -3.387 1.00 0.00 C ATOM 0 H PHE A 13 -20.822 0.163 -1.903 1.00 0.00 H new ATOM 0 HA PHE A 13 -19.310 1.161 -4.215 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -20.222 3.161 -3.083 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -19.599 2.596 -1.545 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -18.716 4.053 -4.795 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -17.214 2.707 -1.043 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -16.588 5.197 -5.238 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -15.086 3.854 -1.482 1.00 0.00 H new ATOM 0 HZ PHE A 13 -14.770 5.103 -3.581 1.00 0.00 H new ATOM 166 N VAL A 14 -17.177 0.304 -3.196 1.00 0.00 N ATOM 167 CA VAL A 14 -16.016 -0.430 -2.707 1.00 0.00 C ATOM 168 C VAL A 14 -14.729 0.350 -2.952 1.00 0.00 C ATOM 169 O VAL A 14 -14.453 0.775 -4.073 1.00 0.00 O ATOM 170 CB VAL A 14 -15.902 -1.812 -3.379 1.00 0.00 C ATOM 171 CG1 VAL A 14 -14.745 -2.600 -2.785 1.00 0.00 C ATOM 172 CG2 VAL A 14 -17.208 -2.580 -3.241 1.00 0.00 C ATOM 0 H VAL A 14 -17.037 0.764 -4.096 1.00 0.00 H new ATOM 0 HA VAL A 14 -16.156 -0.566 -1.635 1.00 0.00 H new ATOM 0 HB VAL A 14 -15.703 -1.666 -4.441 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -14.680 -3.573 -3.272 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -13.815 -2.053 -2.940 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -14.910 -2.739 -1.717 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -17.110 -3.554 -3.721 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -17.439 -2.718 -2.185 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -18.012 -2.019 -3.718 1.00 0.00 H new ATOM 182 N ALA A 15 -13.945 0.533 -1.895 1.00 0.00 N ATOM 183 CA ALA A 15 -12.685 1.259 -1.995 1.00 0.00 C ATOM 184 C ALA A 15 -11.501 0.300 -2.058 1.00 0.00 C ATOM 185 O ALA A 15 -11.616 -0.869 -1.688 1.00 0.00 O ATOM 186 CB ALA A 15 -12.531 2.214 -0.821 1.00 0.00 C ATOM 0 H ALA A 15 -14.160 0.188 -0.959 1.00 0.00 H new ATOM 0 HA ALA A 15 -12.700 1.836 -2.919 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -11.586 2.749 -0.909 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -13.354 2.929 -0.823 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -12.543 1.649 0.111 1.00 0.00 H new ATOM 192 N LYS A 16 -10.364 0.800 -2.529 1.00 0.00 N ATOM 193 CA LYS A 16 -9.158 -0.012 -2.640 1.00 0.00 C ATOM 194 C LYS A 16 -8.848 -0.709 -1.320 1.00 0.00 C ATOM 195 O LYS A 16 -8.999 -0.124 -0.246 1.00 0.00 O ATOM 196 CB LYS A 16 -7.971 0.857 -3.062 1.00 0.00 C ATOM 197 CG LYS A 16 -7.881 2.172 -2.307 1.00 0.00 C ATOM 198 CD LYS A 16 -6.541 2.853 -2.531 1.00 0.00 C ATOM 199 CE LYS A 16 -6.595 4.326 -2.155 1.00 0.00 C ATOM 200 NZ LYS A 16 -5.300 5.013 -2.417 1.00 0.00 N ATOM 0 H LYS A 16 -10.252 1.765 -2.840 1.00 0.00 H new ATOM 0 HA LYS A 16 -9.331 -0.774 -3.400 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -7.049 0.296 -2.910 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -8.045 1.065 -4.129 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -8.685 2.834 -2.630 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -8.025 1.992 -1.242 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -5.774 2.353 -1.939 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -6.251 2.754 -3.577 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -7.387 4.816 -2.721 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -6.850 4.422 -1.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -5.378 6.015 -2.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -4.548 4.561 -1.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -5.069 4.943 -3.429 1.00 0.00 H new ATOM 214 N LYS A 17 -8.413 -1.961 -1.405 1.00 0.00 N ATOM 215 CA LYS A 17 -8.079 -2.738 -0.217 1.00 0.00 C ATOM 216 C LYS A 17 -6.570 -2.936 -0.103 1.00 0.00 C ATOM 217 O LYS A 17 -5.912 -3.333 -1.065 1.00 0.00 O ATOM 218 CB LYS A 17 -8.781 -4.097 -0.257 1.00 0.00 C ATOM 219 CG LYS A 17 -10.206 -4.062 0.266 1.00 0.00 C ATOM 220 CD LYS A 17 -11.201 -3.778 -0.846 1.00 0.00 C ATOM 221 CE LYS A 17 -11.644 -5.058 -1.538 1.00 0.00 C ATOM 222 NZ LYS A 17 -10.675 -5.487 -2.585 1.00 0.00 N ATOM 0 H LYS A 17 -8.283 -2.460 -2.285 1.00 0.00 H new ATOM 0 HA LYS A 17 -8.422 -2.185 0.657 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -8.789 -4.462 -1.284 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -8.205 -4.811 0.331 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -10.446 -5.016 0.735 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -10.293 -3.297 1.037 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -12.071 -3.265 -0.435 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -10.750 -3.106 -1.576 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -11.754 -5.851 -0.798 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -12.624 -4.906 -1.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -11.190 -5.919 -3.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -10.144 -4.660 -2.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -10.014 -6.182 -2.182 1.00 0.00 H new ATOM 236 N CYS A 18 -6.029 -2.659 1.078 1.00 0.00 N ATOM 237 CA CYS A 18 -4.599 -2.807 1.319 1.00 0.00 C ATOM 238 C CYS A 18 -4.129 -4.213 0.955 1.00 0.00 C ATOM 239 O CYS A 18 -4.840 -5.193 1.178 1.00 0.00 O ATOM 240 CB CYS A 18 -4.274 -2.512 2.784 1.00 0.00 C ATOM 241 SG CYS A 18 -2.491 -2.396 3.141 1.00 0.00 S ATOM 0 H CYS A 18 -6.560 -2.330 1.884 1.00 0.00 H new ATOM 0 HA CYS A 18 -4.073 -2.092 0.686 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -4.753 -1.575 3.070 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -4.708 -3.295 3.406 1.00 0.00 H new ATOM 246 N ALA A 19 -2.928 -4.303 0.395 1.00 0.00 N ATOM 247 CA ALA A 19 -2.362 -5.587 0.002 1.00 0.00 C ATOM 248 C ALA A 19 -1.444 -6.137 1.089 1.00 0.00 C ATOM 249 O ALA A 19 -0.542 -6.927 0.812 1.00 0.00 O ATOM 250 CB ALA A 19 -1.606 -5.452 -1.311 1.00 0.00 C ATOM 0 H ALA A 19 -2.327 -3.501 0.203 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.183 -6.291 -0.136 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -1.189 -6.419 -1.592 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.288 -5.111 -2.090 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -0.799 -4.729 -1.193 1.00 0.00 H new ATOM 256 N GLY A 20 -1.680 -5.714 2.327 1.00 0.00 N ATOM 257 CA GLY A 20 -0.865 -6.174 3.436 1.00 0.00 C ATOM 258 C GLY A 20 -1.698 -6.641 4.613 1.00 0.00 C ATOM 259 O GLY A 20 -1.422 -7.685 5.204 1.00 0.00 O ATOM 0 H GLY A 20 -2.421 -5.061 2.582 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -0.227 -6.991 3.099 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -0.207 -5.367 3.758 1.00 0.00 H new ATOM 263 N CYS A 21 -2.721 -5.865 4.957 1.00 0.00 N ATOM 264 CA CYS A 21 -3.596 -6.203 6.073 1.00 0.00 C ATOM 265 C CYS A 21 -4.964 -6.659 5.572 1.00 0.00 C ATOM 266 O CYS A 21 -5.767 -7.199 6.332 1.00 0.00 O ATOM 267 CB CYS A 21 -3.757 -5.000 7.004 1.00 0.00 C ATOM 268 SG CYS A 21 -4.363 -3.494 6.177 1.00 0.00 S ATOM 0 H CYS A 21 -2.964 -4.998 4.478 1.00 0.00 H new ATOM 0 HA CYS A 21 -3.139 -7.023 6.626 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -4.447 -5.264 7.805 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -2.796 -4.784 7.470 1.00 0.00 H new ATOM 273 N LYS A 22 -5.222 -6.437 4.287 1.00 0.00 N ATOM 274 CA LYS A 22 -6.490 -6.825 3.683 1.00 0.00 C ATOM 275 C LYS A 22 -7.651 -6.067 4.319 1.00 0.00 C ATOM 276 O LYS A 22 -8.596 -6.671 4.825 1.00 0.00 O ATOM 277 CB LYS A 22 -6.709 -8.332 3.831 1.00 0.00 C ATOM 278 CG LYS A 22 -5.501 -9.164 3.440 1.00 0.00 C ATOM 279 CD LYS A 22 -5.109 -8.931 1.990 1.00 0.00 C ATOM 280 CE LYS A 22 -4.104 -9.967 1.510 1.00 0.00 C ATOM 281 NZ LYS A 22 -4.722 -11.314 1.367 1.00 0.00 N ATOM 0 H LYS A 22 -4.568 -5.990 3.644 1.00 0.00 H new ATOM 0 HA LYS A 22 -6.451 -6.572 2.624 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -6.972 -8.552 4.866 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -7.559 -8.629 3.216 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -4.661 -8.916 4.089 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -5.721 -10.221 3.593 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -5.999 -8.967 1.361 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -4.684 -7.933 1.883 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -3.689 -9.654 0.552 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -3.274 -10.021 2.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -4.102 -11.921 0.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -4.849 -11.739 2.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -5.647 -11.224 0.900 1.00 0.00 H new ATOM 295 N ASN A 23 -7.573 -4.740 4.288 1.00 0.00 N ATOM 296 CA ASN A 23 -8.618 -3.900 4.861 1.00 0.00 C ATOM 297 C ASN A 23 -8.870 -2.674 3.989 1.00 0.00 C ATOM 298 O ASN A 23 -8.040 -2.285 3.167 1.00 0.00 O ATOM 299 CB ASN A 23 -8.232 -3.463 6.276 1.00 0.00 C ATOM 300 CG ASN A 23 -8.679 -4.456 7.330 1.00 0.00 C ATOM 301 OD1 ASN A 23 -9.871 -4.722 7.482 1.00 0.00 O ATOM 302 ND2 ASN A 23 -7.722 -5.010 8.066 1.00 0.00 N ATOM 0 H ASN A 23 -6.797 -4.224 3.872 1.00 0.00 H new ATOM 0 HA ASN A 23 -9.536 -4.486 4.907 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -7.151 -3.339 6.333 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -8.676 -2.490 6.486 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -7.963 -5.685 8.791 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -6.746 -4.760 7.906 1.00 0.00 H new ATOM 309 N PRO A 24 -10.043 -2.049 4.171 1.00 0.00 N ATOM 310 CA PRO A 24 -10.431 -0.857 3.410 1.00 0.00 C ATOM 311 C PRO A 24 -9.607 0.368 3.793 1.00 0.00 C ATOM 312 O PRO A 24 -9.386 0.634 4.974 1.00 0.00 O ATOM 313 CB PRO A 24 -11.899 -0.655 3.793 1.00 0.00 C ATOM 314 CG PRO A 24 -12.033 -1.294 5.132 1.00 0.00 C ATOM 315 CD PRO A 24 -11.080 -2.457 5.133 1.00 0.00 C ATOM 0 HA PRO A 24 -10.269 -0.985 2.340 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -12.156 0.404 3.832 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -12.565 -1.118 3.065 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -11.789 -0.589 5.927 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -13.056 -1.628 5.305 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -10.662 -2.633 6.124 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -11.572 -3.380 4.826 1.00 0.00 H new ATOM 323 N ILE A 25 -9.157 1.110 2.786 1.00 0.00 N ATOM 324 CA ILE A 25 -8.359 2.307 3.018 1.00 0.00 C ATOM 325 C ILE A 25 -9.239 3.551 3.076 1.00 0.00 C ATOM 326 O ILE A 25 -9.261 4.354 2.142 1.00 0.00 O ATOM 327 CB ILE A 25 -7.294 2.496 1.922 1.00 0.00 C ATOM 328 CG1 ILE A 25 -6.525 1.192 1.698 1.00 0.00 C ATOM 329 CG2 ILE A 25 -6.342 3.621 2.297 1.00 0.00 C ATOM 330 CD1 ILE A 25 -5.477 1.287 0.612 1.00 0.00 C ATOM 0 H ILE A 25 -9.332 0.903 1.803 1.00 0.00 H new ATOM 0 HA ILE A 25 -7.860 2.172 3.978 1.00 0.00 H new ATOM 0 HB ILE A 25 -7.794 2.765 0.992 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -6.044 0.899 2.631 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -7.232 0.403 1.442 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -5.595 3.742 1.512 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -6.902 4.549 2.411 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -5.845 3.379 3.237 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -4.972 0.327 0.509 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -5.954 1.550 -0.332 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -4.748 2.053 0.876 1.00 0.00 H new ATOM 342 N THR A 26 -9.964 3.707 4.179 1.00 0.00 N ATOM 343 CA THR A 26 -10.845 4.854 4.360 1.00 0.00 C ATOM 344 C THR A 26 -10.175 5.936 5.198 1.00 0.00 C ATOM 345 O THR A 26 -10.419 6.045 6.399 1.00 0.00 O ATOM 346 CB THR A 26 -12.168 4.444 5.034 1.00 0.00 C ATOM 347 OG1 THR A 26 -11.910 3.912 6.338 1.00 0.00 O ATOM 348 CG2 THR A 26 -12.906 3.411 4.195 1.00 0.00 C ATOM 0 H THR A 26 -9.958 3.053 4.961 1.00 0.00 H new ATOM 0 HA THR A 26 -11.058 5.249 3.367 1.00 0.00 H new ATOM 0 HB THR A 26 -12.795 5.331 5.122 1.00 0.00 H new ATOM 0 HG1 THR A 26 -11.399 4.564 6.862 1.00 0.00 H new ATOM 0 HG21 THR A 26 -13.837 3.137 4.691 1.00 0.00 H new ATOM 0 HG22 THR A 26 -13.128 3.830 3.214 1.00 0.00 H new ATOM 0 HG23 THR A 26 -12.283 2.525 4.078 1.00 0.00 H new ATOM 356 N GLY A 27 -9.329 6.736 4.556 1.00 0.00 N ATOM 357 CA GLY A 27 -8.637 7.801 5.259 1.00 0.00 C ATOM 358 C GLY A 27 -8.682 9.117 4.507 1.00 0.00 C ATOM 359 O GLY A 27 -7.643 9.699 4.198 1.00 0.00 O ATOM 0 H GLY A 27 -9.110 6.666 3.562 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -9.085 7.933 6.244 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -7.598 7.512 5.418 1.00 0.00 H new ATOM 363 N PHE A 28 -9.890 9.586 4.212 1.00 0.00 N ATOM 364 CA PHE A 28 -10.067 10.840 3.489 1.00 0.00 C ATOM 365 C PHE A 28 -10.254 12.004 4.458 1.00 0.00 C ATOM 366 O PHE A 28 -11.245 12.067 5.186 1.00 0.00 O ATOM 367 CB PHE A 28 -11.270 10.746 2.549 1.00 0.00 C ATOM 368 CG PHE A 28 -10.983 9.991 1.283 1.00 0.00 C ATOM 369 CD1 PHE A 28 -10.771 8.622 1.310 1.00 0.00 C ATOM 370 CD2 PHE A 28 -10.925 10.650 0.065 1.00 0.00 C ATOM 371 CE1 PHE A 28 -10.507 7.924 0.146 1.00 0.00 C ATOM 372 CE2 PHE A 28 -10.662 9.958 -1.102 1.00 0.00 C ATOM 373 CZ PHE A 28 -10.452 8.593 -1.061 1.00 0.00 C ATOM 0 H PHE A 28 -10.760 9.117 4.462 1.00 0.00 H new ATOM 0 HA PHE A 28 -9.168 11.021 2.900 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -12.094 10.261 3.073 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -11.602 11.753 2.295 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -10.812 8.094 2.251 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -11.087 11.717 0.027 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -10.344 6.857 0.181 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -10.621 10.483 -2.045 1.00 0.00 H new ATOM 0 HZ PHE A 28 -10.245 8.050 -1.971 1.00 0.00 H new ATOM 383 N GLY A 29 -9.295 12.924 4.462 1.00 0.00 N ATOM 384 CA GLY A 29 -9.372 14.073 5.345 1.00 0.00 C ATOM 385 C GLY A 29 -8.065 14.839 5.416 1.00 0.00 C ATOM 386 O GLY A 29 -7.484 15.187 4.387 1.00 0.00 O ATOM 0 H GLY A 29 -8.465 12.894 3.869 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -10.162 14.740 5.000 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -9.649 13.741 6.345 1.00 0.00 H new ATOM 390 N LYS A 30 -7.602 15.104 6.632 1.00 0.00 N ATOM 391 CA LYS A 30 -6.356 15.834 6.835 1.00 0.00 C ATOM 392 C LYS A 30 -5.151 14.926 6.611 1.00 0.00 C ATOM 393 O LYS A 30 -4.891 14.018 7.399 1.00 0.00 O ATOM 394 CB LYS A 30 -6.309 16.423 8.246 1.00 0.00 C ATOM 395 CG LYS A 30 -7.055 17.739 8.381 1.00 0.00 C ATOM 396 CD LYS A 30 -7.069 18.227 9.820 1.00 0.00 C ATOM 397 CE LYS A 30 -5.846 19.077 10.132 1.00 0.00 C ATOM 398 NZ LYS A 30 -4.634 18.243 10.357 1.00 0.00 N ATOM 0 H LYS A 30 -8.071 14.824 7.493 1.00 0.00 H new ATOM 0 HA LYS A 30 -6.318 16.646 6.108 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -6.732 15.702 8.946 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -5.268 16.574 8.533 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -6.587 18.491 7.746 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -8.079 17.616 8.028 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -7.973 18.809 9.999 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -7.101 17.372 10.495 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -5.664 19.767 9.308 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -6.040 19.682 11.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -4.023 18.702 11.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -4.918 17.304 10.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -4.113 18.139 9.463 1.00 0.00 H new ATOM 412 N GLY A 31 -4.417 15.179 5.532 1.00 0.00 N ATOM 413 CA GLY A 31 -3.247 14.376 5.225 1.00 0.00 C ATOM 414 C GLY A 31 -3.608 12.984 4.748 1.00 0.00 C ATOM 415 O GLY A 31 -4.248 12.219 5.469 1.00 0.00 O ATOM 0 H GLY A 31 -4.611 15.926 4.865 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -2.657 14.878 4.458 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -2.619 14.301 6.112 1.00 0.00 H new ATOM 419 N SER A 32 -3.199 12.654 3.527 1.00 0.00 N ATOM 420 CA SER A 32 -3.488 11.346 2.951 1.00 0.00 C ATOM 421 C SER A 32 -2.202 10.563 2.707 1.00 0.00 C ATOM 422 O SER A 32 -1.842 10.279 1.564 1.00 0.00 O ATOM 423 CB SER A 32 -4.261 11.502 1.640 1.00 0.00 C ATOM 424 OG SER A 32 -5.586 11.944 1.878 1.00 0.00 O ATOM 0 H SER A 32 -2.666 13.275 2.918 1.00 0.00 H new ATOM 0 HA SER A 32 -4.101 10.791 3.662 1.00 0.00 H new ATOM 0 HB2 SER A 32 -3.747 12.214 0.994 1.00 0.00 H new ATOM 0 HB3 SER A 32 -4.282 10.549 1.111 1.00 0.00 H new ATOM 0 HG SER A 32 -6.058 12.037 1.024 1.00 0.00 H new ATOM 430 N SER A 33 -1.512 10.218 3.789 1.00 0.00 N ATOM 431 CA SER A 33 -0.262 9.472 3.694 1.00 0.00 C ATOM 432 C SER A 33 -0.531 7.995 3.420 1.00 0.00 C ATOM 433 O SER A 33 -0.646 7.191 4.345 1.00 0.00 O ATOM 434 CB SER A 33 0.547 9.623 4.984 1.00 0.00 C ATOM 435 OG SER A 33 0.630 10.982 5.377 1.00 0.00 O ATOM 0 H SER A 33 -1.797 10.443 4.742 1.00 0.00 H new ATOM 0 HA SER A 33 0.313 9.880 2.863 1.00 0.00 H new ATOM 0 HB2 SER A 33 0.083 9.039 5.779 1.00 0.00 H new ATOM 0 HB3 SER A 33 1.550 9.222 4.837 1.00 0.00 H new ATOM 0 HG SER A 33 1.150 11.052 6.205 1.00 0.00 H new ATOM 441 N VAL A 34 -0.632 7.646 2.141 1.00 0.00 N ATOM 442 CA VAL A 34 -0.886 6.267 1.743 1.00 0.00 C ATOM 443 C VAL A 34 -0.252 5.959 0.391 1.00 0.00 C ATOM 444 O VAL A 34 -0.318 6.766 -0.536 1.00 0.00 O ATOM 445 CB VAL A 34 -2.397 5.974 1.667 1.00 0.00 C ATOM 446 CG1 VAL A 34 -3.046 6.798 0.566 1.00 0.00 C ATOM 447 CG2 VAL A 34 -2.641 4.489 1.447 1.00 0.00 C ATOM 0 H VAL A 34 -0.542 8.300 1.363 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.437 5.630 2.505 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.852 6.257 2.616 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -4.113 6.578 0.527 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.902 7.859 0.772 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.589 6.549 -0.392 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.713 4.300 1.396 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -2.173 4.178 0.513 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.212 3.923 2.274 1.00 0.00 H new ATOM 457 N VAL A 35 0.363 4.785 0.286 1.00 0.00 N ATOM 458 CA VAL A 35 1.009 4.369 -0.953 1.00 0.00 C ATOM 459 C VAL A 35 -0.016 3.873 -1.967 1.00 0.00 C ATOM 460 O VAL A 35 -0.987 3.208 -1.609 1.00 0.00 O ATOM 461 CB VAL A 35 2.044 3.257 -0.700 1.00 0.00 C ATOM 462 CG1 VAL A 35 2.835 2.966 -1.967 1.00 0.00 C ATOM 463 CG2 VAL A 35 2.972 3.643 0.441 1.00 0.00 C ATOM 0 H VAL A 35 0.427 4.106 1.044 1.00 0.00 H new ATOM 0 HA VAL A 35 1.519 5.245 -1.354 1.00 0.00 H new ATOM 0 HB VAL A 35 1.514 2.348 -0.415 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.562 2.178 -1.769 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.154 2.643 -2.755 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.357 3.869 -2.286 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.697 2.846 0.606 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.497 4.564 0.187 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.388 3.796 1.349 1.00 0.00 H new ATOM 473 N ALA A 36 0.208 4.202 -3.235 1.00 0.00 N ATOM 474 CA ALA A 36 -0.695 3.788 -4.302 1.00 0.00 C ATOM 475 C ALA A 36 0.082 3.366 -5.545 1.00 0.00 C ATOM 476 O ALA A 36 0.979 4.076 -6.000 1.00 0.00 O ATOM 477 CB ALA A 36 -1.663 4.912 -4.640 1.00 0.00 C ATOM 0 H ALA A 36 1.007 4.754 -3.548 1.00 0.00 H new ATOM 0 HA ALA A 36 -1.263 2.927 -3.950 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -2.331 4.589 -5.438 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -2.249 5.166 -3.757 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.103 5.788 -4.968 1.00 0.00 H new ATOM 483 N TYR A 37 -0.268 2.206 -6.089 1.00 0.00 N ATOM 484 CA TYR A 37 0.398 1.687 -7.278 1.00 0.00 C ATOM 485 C TYR A 37 -0.560 1.643 -8.464 1.00 0.00 C ATOM 486 O TYR A 37 -1.666 2.179 -8.402 1.00 0.00 O ATOM 487 CB TYR A 37 0.956 0.289 -7.006 1.00 0.00 C ATOM 488 CG TYR A 37 2.338 0.067 -7.578 1.00 0.00 C ATOM 489 CD1 TYR A 37 3.387 0.922 -7.264 1.00 0.00 C ATOM 490 CD2 TYR A 37 2.595 -0.999 -8.431 1.00 0.00 C ATOM 491 CE1 TYR A 37 4.651 0.723 -7.785 1.00 0.00 C ATOM 492 CE2 TYR A 37 3.856 -1.207 -8.955 1.00 0.00 C ATOM 493 CZ TYR A 37 4.880 -0.343 -8.630 1.00 0.00 C ATOM 494 OH TYR A 37 6.139 -0.545 -9.149 1.00 0.00 O ATOM 0 H TYR A 37 -1.009 1.607 -5.726 1.00 0.00 H new ATOM 0 HA TYR A 37 1.221 2.358 -7.524 1.00 0.00 H new ATOM 0 HB2 TYR A 37 0.986 0.122 -5.929 1.00 0.00 H new ATOM 0 HB3 TYR A 37 0.275 -0.453 -7.424 1.00 0.00 H new ATOM 0 HD1 TYR A 37 3.211 1.756 -6.601 1.00 0.00 H new ATOM 0 HD2 TYR A 37 1.795 -1.677 -8.689 1.00 0.00 H new ATOM 0 HE1 TYR A 37 5.455 1.398 -7.532 1.00 0.00 H new ATOM 0 HE2 TYR A 37 4.039 -2.042 -9.616 1.00 0.00 H new ATOM 0 HH TYR A 37 6.132 -1.338 -9.724 1.00 0.00 H new ATOM 504 N GLU A 38 -0.126 1.000 -9.544 1.00 0.00 N ATOM 505 CA GLU A 38 -0.945 0.886 -10.745 1.00 0.00 C ATOM 506 C GLU A 38 -2.326 0.330 -10.411 1.00 0.00 C ATOM 507 O GLU A 38 -3.346 0.903 -10.791 1.00 0.00 O ATOM 508 CB GLU A 38 -0.256 -0.013 -11.775 1.00 0.00 C ATOM 509 CG GLU A 38 1.076 0.531 -12.263 1.00 0.00 C ATOM 510 CD GLU A 38 0.920 1.533 -13.390 1.00 0.00 C ATOM 511 OE1 GLU A 38 0.196 1.226 -14.360 1.00 0.00 O ATOM 512 OE2 GLU A 38 1.521 2.624 -13.302 1.00 0.00 O ATOM 0 H GLU A 38 0.787 0.551 -9.612 1.00 0.00 H new ATOM 0 HA GLU A 38 -1.067 1.883 -11.167 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.098 -0.998 -11.337 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -0.919 -0.147 -12.630 1.00 0.00 H new ATOM 0 HG2 GLU A 38 1.598 1.004 -11.431 1.00 0.00 H new ATOM 0 HG3 GLU A 38 1.700 -0.296 -12.601 1.00 0.00 H new ATOM 519 N GLY A 39 -2.349 -0.792 -9.698 1.00 0.00 N ATOM 520 CA GLY A 39 -3.610 -1.408 -9.325 1.00 0.00 C ATOM 521 C GLY A 39 -3.596 -1.945 -7.908 1.00 0.00 C ATOM 522 O GLY A 39 -4.293 -2.909 -7.597 1.00 0.00 O ATOM 0 H GLY A 39 -1.518 -1.285 -9.372 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -4.412 -0.676 -9.425 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -3.832 -2.221 -10.016 1.00 0.00 H new ATOM 526 N GLN A 40 -2.798 -1.320 -7.048 1.00 0.00 N ATOM 527 CA GLN A 40 -2.695 -1.743 -5.656 1.00 0.00 C ATOM 528 C GLN A 40 -2.571 -0.539 -4.729 1.00 0.00 C ATOM 529 O GLN A 40 -2.634 0.608 -5.172 1.00 0.00 O ATOM 530 CB GLN A 40 -1.492 -2.670 -5.471 1.00 0.00 C ATOM 531 CG GLN A 40 -1.686 -4.048 -6.084 1.00 0.00 C ATOM 532 CD GLN A 40 -0.393 -4.834 -6.174 1.00 0.00 C ATOM 533 OE1 GLN A 40 0.543 -4.435 -6.867 1.00 0.00 O ATOM 534 NE2 GLN A 40 -0.334 -5.959 -5.470 1.00 0.00 N ATOM 0 H GLN A 40 -2.214 -0.520 -7.290 1.00 0.00 H new ATOM 0 HA GLN A 40 -3.605 -2.284 -5.398 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -0.613 -2.204 -5.916 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -1.289 -2.781 -4.406 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -2.407 -4.608 -5.488 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -2.112 -3.941 -7.082 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -1.134 -6.252 -4.909 1.00 0.00 H new ATOM 0 HE22 GLN A 40 0.511 -6.530 -5.490 1.00 0.00 H new ATOM 543 N SER A 41 -2.394 -0.807 -3.439 1.00 0.00 N ATOM 544 CA SER A 41 -2.265 0.255 -2.448 1.00 0.00 C ATOM 545 C SER A 41 -1.754 -0.299 -1.121 1.00 0.00 C ATOM 546 O SER A 41 -1.896 -1.488 -0.837 1.00 0.00 O ATOM 547 CB SER A 41 -3.612 0.950 -2.237 1.00 0.00 C ATOM 548 OG SER A 41 -3.861 1.899 -3.260 1.00 0.00 O ATOM 0 H SER A 41 -2.337 -1.751 -3.056 1.00 0.00 H new ATOM 0 HA SER A 41 -1.543 0.981 -2.822 1.00 0.00 H new ATOM 0 HB2 SER A 41 -4.410 0.207 -2.223 1.00 0.00 H new ATOM 0 HB3 SER A 41 -3.621 1.446 -1.266 1.00 0.00 H new ATOM 0 HG SER A 41 -3.241 1.749 -4.004 1.00 0.00 H new ATOM 554 N TRP A 42 -1.158 0.571 -0.315 1.00 0.00 N ATOM 555 CA TRP A 42 -0.624 0.170 0.982 1.00 0.00 C ATOM 556 C TRP A 42 -0.649 1.335 1.965 1.00 0.00 C ATOM 557 O TRP A 42 -0.445 2.488 1.582 1.00 0.00 O ATOM 558 CB TRP A 42 0.805 -0.353 0.829 1.00 0.00 C ATOM 559 CG TRP A 42 0.877 -1.709 0.194 1.00 0.00 C ATOM 560 CD1 TRP A 42 0.865 -2.915 0.835 1.00 0.00 C ATOM 561 CD2 TRP A 42 0.973 -1.997 -1.205 1.00 0.00 C ATOM 562 NE1 TRP A 42 0.948 -3.935 -0.082 1.00 0.00 N ATOM 563 CE2 TRP A 42 1.014 -3.398 -1.340 1.00 0.00 C ATOM 564 CE3 TRP A 42 1.026 -1.207 -2.357 1.00 0.00 C ATOM 565 CZ2 TRP A 42 1.108 -4.023 -2.581 1.00 0.00 C ATOM 566 CZ3 TRP A 42 1.118 -1.829 -3.587 1.00 0.00 C ATOM 567 CH2 TRP A 42 1.158 -3.226 -3.692 1.00 0.00 C ATOM 0 H TRP A 42 -1.032 1.559 -0.536 1.00 0.00 H new ATOM 0 HA TRP A 42 -1.255 -0.627 1.376 1.00 0.00 H new ATOM 0 HB2 TRP A 42 1.380 0.352 0.229 1.00 0.00 H new ATOM 0 HB3 TRP A 42 1.276 -0.394 1.811 1.00 0.00 H new ATOM 0 HD1 TRP A 42 0.800 -3.047 1.905 1.00 0.00 H new ATOM 0 HE1 TRP A 42 0.959 -4.931 0.139 1.00 0.00 H new ATOM 0 HE3 TRP A 42 0.996 -0.130 -2.287 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 1.140 -5.099 -2.664 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 1.160 -1.228 -4.483 1.00 0.00 H new ATOM 0 HH2 TRP A 42 1.230 -3.682 -4.668 1.00 0.00 H new ATOM 578 N HIS A 43 -0.901 1.028 3.234 1.00 0.00 N ATOM 579 CA HIS A 43 -0.952 2.051 4.272 1.00 0.00 C ATOM 580 C HIS A 43 0.448 2.559 4.604 1.00 0.00 C ATOM 581 O HIS A 43 1.442 1.878 4.351 1.00 0.00 O ATOM 582 CB HIS A 43 -1.618 1.496 5.532 1.00 0.00 C ATOM 583 CG HIS A 43 -3.068 1.171 5.349 1.00 0.00 C ATOM 584 ND1 HIS A 43 -3.586 -0.093 5.539 1.00 0.00 N ATOM 585 CD2 HIS A 43 -4.113 1.955 4.993 1.00 0.00 C ATOM 586 CE1 HIS A 43 -4.886 -0.073 5.306 1.00 0.00 C ATOM 587 NE2 HIS A 43 -5.231 1.158 4.973 1.00 0.00 N ATOM 0 H HIS A 43 -1.073 0.080 3.568 1.00 0.00 H new ATOM 0 HA HIS A 43 -1.542 2.886 3.896 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -1.089 0.596 5.846 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -1.516 2.223 6.337 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -4.074 3.010 4.767 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -5.553 -0.919 5.376 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -6.175 1.466 4.739 1.00 0.00 H new ATOM 595 N ASP A 44 0.518 3.758 5.170 1.00 0.00 N ATOM 596 CA ASP A 44 1.796 4.358 5.537 1.00 0.00 C ATOM 597 C ASP A 44 2.541 3.479 6.537 1.00 0.00 C ATOM 598 O ASP A 44 3.768 3.525 6.625 1.00 0.00 O ATOM 599 CB ASP A 44 1.580 5.752 6.126 1.00 0.00 C ATOM 600 CG ASP A 44 0.428 5.792 7.112 1.00 0.00 C ATOM 601 OD1 ASP A 44 -0.736 5.705 6.668 1.00 0.00 O ATOM 602 OD2 ASP A 44 0.692 5.909 8.326 1.00 0.00 O ATOM 0 H ASP A 44 -0.295 4.335 5.385 1.00 0.00 H new ATOM 0 HA ASP A 44 2.401 4.444 4.634 1.00 0.00 H new ATOM 0 HB2 ASP A 44 2.493 6.078 6.625 1.00 0.00 H new ATOM 0 HB3 ASP A 44 1.388 6.459 5.319 1.00 0.00 H new ATOM 607 N TYR A 45 1.791 2.681 7.289 1.00 0.00 N ATOM 608 CA TYR A 45 2.380 1.795 8.285 1.00 0.00 C ATOM 609 C TYR A 45 2.536 0.381 7.733 1.00 0.00 C ATOM 610 O TYR A 45 3.319 -0.417 8.249 1.00 0.00 O ATOM 611 CB TYR A 45 1.517 1.768 9.548 1.00 0.00 C ATOM 612 CG TYR A 45 0.059 1.473 9.279 1.00 0.00 C ATOM 613 CD1 TYR A 45 -0.405 0.165 9.216 1.00 0.00 C ATOM 614 CD2 TYR A 45 -0.855 2.502 9.087 1.00 0.00 C ATOM 615 CE1 TYR A 45 -1.737 -0.110 8.970 1.00 0.00 C ATOM 616 CE2 TYR A 45 -2.188 2.236 8.841 1.00 0.00 C ATOM 617 CZ TYR A 45 -2.624 0.929 8.784 1.00 0.00 C ATOM 618 OH TYR A 45 -3.951 0.661 8.538 1.00 0.00 O ATOM 0 H TYR A 45 0.774 2.630 7.227 1.00 0.00 H new ATOM 0 HA TYR A 45 3.369 2.179 8.536 1.00 0.00 H new ATOM 0 HB2 TYR A 45 1.911 1.016 10.231 1.00 0.00 H new ATOM 0 HB3 TYR A 45 1.597 2.731 10.053 1.00 0.00 H new ATOM 0 HD1 TYR A 45 0.287 -0.651 9.362 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -0.517 3.527 9.131 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -2.081 -1.133 8.924 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -2.885 3.048 8.694 1.00 0.00 H new ATOM 0 HH TYR A 45 -4.042 0.242 7.657 1.00 0.00 H new ATOM 628 N CYS A 46 1.785 0.079 6.679 1.00 0.00 N ATOM 629 CA CYS A 46 1.838 -1.237 6.054 1.00 0.00 C ATOM 630 C CYS A 46 2.997 -1.324 5.065 1.00 0.00 C ATOM 631 O CYS A 46 3.674 -2.348 4.972 1.00 0.00 O ATOM 632 CB CYS A 46 0.520 -1.539 5.339 1.00 0.00 C ATOM 633 SG CYS A 46 -0.792 -2.172 6.434 1.00 0.00 S ATOM 0 H CYS A 46 1.132 0.728 6.240 1.00 0.00 H new ATOM 0 HA CYS A 46 1.996 -1.977 6.838 1.00 0.00 H new ATOM 0 HB2 CYS A 46 0.166 -0.630 4.853 1.00 0.00 H new ATOM 0 HB3 CYS A 46 0.705 -2.270 4.552 1.00 0.00 H new ATOM 638 N PHE A 47 3.221 -0.240 4.328 1.00 0.00 N ATOM 639 CA PHE A 47 4.297 -0.193 3.345 1.00 0.00 C ATOM 640 C PHE A 47 5.660 -0.243 4.029 1.00 0.00 C ATOM 641 O PHE A 47 6.169 0.774 4.500 1.00 0.00 O ATOM 642 CB PHE A 47 4.186 1.075 2.497 1.00 0.00 C ATOM 643 CG PHE A 47 4.726 0.914 1.105 1.00 0.00 C ATOM 644 CD1 PHE A 47 4.191 -0.031 0.244 1.00 0.00 C ATOM 645 CD2 PHE A 47 5.769 1.709 0.656 1.00 0.00 C ATOM 646 CE1 PHE A 47 4.687 -0.181 -1.037 1.00 0.00 C ATOM 647 CE2 PHE A 47 6.269 1.563 -0.625 1.00 0.00 C ATOM 648 CZ PHE A 47 5.726 0.617 -1.472 1.00 0.00 C ATOM 0 H PHE A 47 2.672 0.617 4.393 1.00 0.00 H new ATOM 0 HA PHE A 47 4.203 -1.064 2.697 1.00 0.00 H new ATOM 0 HB2 PHE A 47 3.139 1.374 2.440 1.00 0.00 H new ATOM 0 HB3 PHE A 47 4.722 1.883 2.995 1.00 0.00 H new ATOM 0 HD1 PHE A 47 3.377 -0.657 0.578 1.00 0.00 H new ATOM 0 HD2 PHE A 47 6.196 2.451 1.314 1.00 0.00 H new ATOM 0 HE1 PHE A 47 4.262 -0.922 -1.698 1.00 0.00 H new ATOM 0 HE2 PHE A 47 7.083 2.188 -0.962 1.00 0.00 H new ATOM 0 HZ PHE A 47 6.114 0.502 -2.473 1.00 0.00 H new ATOM 658 N HIS A 48 6.247 -1.435 4.079 1.00 0.00 N ATOM 659 CA HIS A 48 7.551 -1.619 4.705 1.00 0.00 C ATOM 660 C HIS A 48 8.264 -2.839 4.127 1.00 0.00 C ATOM 661 O HIS A 48 7.624 -3.809 3.720 1.00 0.00 O ATOM 662 CB HIS A 48 7.397 -1.774 6.218 1.00 0.00 C ATOM 663 CG HIS A 48 6.415 -2.832 6.615 1.00 0.00 C ATOM 664 ND1 HIS A 48 5.291 -2.570 7.371 1.00 0.00 N ATOM 665 CD2 HIS A 48 6.392 -4.160 6.357 1.00 0.00 C ATOM 666 CE1 HIS A 48 4.620 -3.692 7.561 1.00 0.00 C ATOM 667 NE2 HIS A 48 5.266 -4.672 6.955 1.00 0.00 N ATOM 0 H HIS A 48 5.840 -2.287 3.694 1.00 0.00 H new ATOM 0 HA HIS A 48 8.154 -0.735 4.497 1.00 0.00 H new ATOM 0 HB2 HIS A 48 8.369 -2.011 6.651 1.00 0.00 H new ATOM 0 HB3 HIS A 48 7.083 -0.821 6.642 1.00 0.00 H new ATOM 0 HD1 HIS A 48 5.020 -1.653 7.727 1.00 0.00 H new ATOM 0 HD2 HIS A 48 7.123 -4.714 5.787 1.00 0.00 H new ATOM 0 HE1 HIS A 48 3.700 -3.791 8.117 1.00 0.00 H new ATOM 675 N CYS A 49 9.591 -2.782 4.093 1.00 0.00 N ATOM 676 CA CYS A 49 10.391 -3.880 3.565 1.00 0.00 C ATOM 677 C CYS A 49 10.002 -5.201 4.221 1.00 0.00 C ATOM 678 O CYS A 49 9.631 -5.239 5.395 1.00 0.00 O ATOM 679 CB CYS A 49 11.880 -3.606 3.786 1.00 0.00 C ATOM 680 SG CYS A 49 12.985 -4.785 2.944 1.00 0.00 S ATOM 0 H CYS A 49 10.135 -1.986 4.425 1.00 0.00 H new ATOM 0 HA CYS A 49 10.198 -3.956 2.495 1.00 0.00 H new ATOM 0 HB2 CYS A 49 12.109 -2.598 3.439 1.00 0.00 H new ATOM 0 HB3 CYS A 49 12.088 -3.629 4.856 1.00 0.00 H new ATOM 685 N LYS A 50 10.089 -6.284 3.455 1.00 0.00 N ATOM 686 CA LYS A 50 9.748 -7.608 3.961 1.00 0.00 C ATOM 687 C LYS A 50 10.993 -8.341 4.449 1.00 0.00 C ATOM 688 O LYS A 50 11.018 -9.571 4.513 1.00 0.00 O ATOM 689 CB LYS A 50 9.054 -8.430 2.872 1.00 0.00 C ATOM 690 CG LYS A 50 8.047 -9.429 3.412 1.00 0.00 C ATOM 691 CD LYS A 50 6.795 -8.738 3.925 1.00 0.00 C ATOM 692 CE LYS A 50 5.834 -8.412 2.792 1.00 0.00 C ATOM 693 NZ LYS A 50 4.777 -7.454 3.220 1.00 0.00 N ATOM 0 H LYS A 50 10.393 -6.270 2.481 1.00 0.00 H new ATOM 0 HA LYS A 50 9.067 -7.483 4.803 1.00 0.00 H new ATOM 0 HB2 LYS A 50 8.548 -7.752 2.184 1.00 0.00 H new ATOM 0 HB3 LYS A 50 9.809 -8.964 2.295 1.00 0.00 H new ATOM 0 HG2 LYS A 50 7.778 -10.136 2.627 1.00 0.00 H new ATOM 0 HG3 LYS A 50 8.501 -10.005 4.218 1.00 0.00 H new ATOM 0 HD2 LYS A 50 6.297 -9.379 4.653 1.00 0.00 H new ATOM 0 HD3 LYS A 50 7.071 -7.820 4.444 1.00 0.00 H new ATOM 0 HE2 LYS A 50 6.390 -7.990 1.955 1.00 0.00 H new ATOM 0 HE3 LYS A 50 5.369 -9.331 2.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 4.142 -7.257 2.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 4.230 -7.867 4.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 5.219 -6.568 3.537 1.00 0.00 H new ATOM 707 N LYS A 51 12.025 -7.579 4.795 1.00 0.00 N ATOM 708 CA LYS A 51 13.274 -8.155 5.281 1.00 0.00 C ATOM 709 C LYS A 51 13.748 -7.441 6.542 1.00 0.00 C ATOM 710 O LYS A 51 13.852 -8.048 7.609 1.00 0.00 O ATOM 711 CB LYS A 51 14.353 -8.071 4.199 1.00 0.00 C ATOM 712 CG LYS A 51 15.283 -9.272 4.173 1.00 0.00 C ATOM 713 CD LYS A 51 15.803 -9.545 2.772 1.00 0.00 C ATOM 714 CE LYS A 51 15.205 -10.818 2.194 1.00 0.00 C ATOM 715 NZ LYS A 51 15.536 -12.012 3.021 1.00 0.00 N ATOM 0 H LYS A 51 12.021 -6.560 4.748 1.00 0.00 H new ATOM 0 HA LYS A 51 13.092 -9.202 5.524 1.00 0.00 H new ATOM 0 HB2 LYS A 51 13.873 -7.973 3.225 1.00 0.00 H new ATOM 0 HB3 LYS A 51 14.943 -7.168 4.356 1.00 0.00 H new ATOM 0 HG2 LYS A 51 16.123 -9.098 4.846 1.00 0.00 H new ATOM 0 HG3 LYS A 51 14.755 -10.150 4.543 1.00 0.00 H new ATOM 0 HD2 LYS A 51 15.564 -8.702 2.123 1.00 0.00 H new ATOM 0 HD3 LYS A 51 16.889 -9.630 2.796 1.00 0.00 H new ATOM 0 HE2 LYS A 51 14.122 -10.712 2.126 1.00 0.00 H new ATOM 0 HE3 LYS A 51 15.575 -10.965 1.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 15.567 -12.856 2.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 16.463 -11.875 3.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 14.809 -12.139 3.754 1.00 0.00 H new ATOM 729 N CYS A 52 14.031 -6.149 6.415 1.00 0.00 N ATOM 730 CA CYS A 52 14.493 -5.352 7.544 1.00 0.00 C ATOM 731 C CYS A 52 13.335 -4.591 8.183 1.00 0.00 C ATOM 732 O CYS A 52 13.464 -4.049 9.281 1.00 0.00 O ATOM 733 CB CYS A 52 15.576 -4.370 7.094 1.00 0.00 C ATOM 734 SG CYS A 52 15.041 -3.223 5.783 1.00 0.00 S ATOM 0 H CYS A 52 13.948 -5.631 5.540 1.00 0.00 H new ATOM 0 HA CYS A 52 14.913 -6.030 8.287 1.00 0.00 H new ATOM 0 HB2 CYS A 52 15.907 -3.791 7.956 1.00 0.00 H new ATOM 0 HB3 CYS A 52 16.438 -4.934 6.739 1.00 0.00 H new ATOM 739 N SER A 53 12.203 -4.555 7.487 1.00 0.00 N ATOM 740 CA SER A 53 11.022 -3.857 7.983 1.00 0.00 C ATOM 741 C SER A 53 11.290 -2.361 8.116 1.00 0.00 C ATOM 742 O SER A 53 11.180 -1.793 9.202 1.00 0.00 O ATOM 743 CB SER A 53 10.595 -4.432 9.335 1.00 0.00 C ATOM 744 OG SER A 53 10.765 -5.839 9.367 1.00 0.00 O ATOM 0 H SER A 53 12.079 -5.001 6.578 1.00 0.00 H new ATOM 0 HA SER A 53 10.216 -4.001 7.263 1.00 0.00 H new ATOM 0 HB2 SER A 53 11.182 -3.973 10.131 1.00 0.00 H new ATOM 0 HB3 SER A 53 9.551 -4.184 9.526 1.00 0.00 H new ATOM 0 HG SER A 53 10.487 -6.182 10.242 1.00 0.00 H new ATOM 750 N VAL A 54 11.643 -1.729 7.001 1.00 0.00 N ATOM 751 CA VAL A 54 11.926 -0.299 6.991 1.00 0.00 C ATOM 752 C VAL A 54 10.768 0.487 6.386 1.00 0.00 C ATOM 753 O VAL A 54 10.253 0.136 5.326 1.00 0.00 O ATOM 754 CB VAL A 54 13.211 0.013 6.200 1.00 0.00 C ATOM 755 CG1 VAL A 54 13.066 -0.425 4.751 1.00 0.00 C ATOM 756 CG2 VAL A 54 13.543 1.495 6.288 1.00 0.00 C ATOM 0 H VAL A 54 11.740 -2.185 6.094 1.00 0.00 H new ATOM 0 HA VAL A 54 12.064 0.003 8.029 1.00 0.00 H new ATOM 0 HB VAL A 54 14.035 -0.547 6.642 1.00 0.00 H new ATOM 0 HG11 VAL A 54 13.983 -0.197 4.208 1.00 0.00 H new ATOM 0 HG12 VAL A 54 12.879 -1.498 4.712 1.00 0.00 H new ATOM 0 HG13 VAL A 54 12.231 0.105 4.292 1.00 0.00 H new ATOM 0 HG21 VAL A 54 14.453 1.698 5.724 1.00 0.00 H new ATOM 0 HG22 VAL A 54 12.721 2.077 5.872 1.00 0.00 H new ATOM 0 HG23 VAL A 54 13.693 1.773 7.331 1.00 0.00 H new ATOM 766 N ASN A 55 10.363 1.552 7.069 1.00 0.00 N ATOM 767 CA ASN A 55 9.264 2.389 6.600 1.00 0.00 C ATOM 768 C ASN A 55 9.609 3.042 5.265 1.00 0.00 C ATOM 769 O ASN A 55 10.267 4.083 5.222 1.00 0.00 O ATOM 770 CB ASN A 55 8.935 3.465 7.637 1.00 0.00 C ATOM 771 CG ASN A 55 7.664 4.221 7.303 1.00 0.00 C ATOM 772 OD1 ASN A 55 7.639 5.040 6.384 1.00 0.00 O ATOM 773 ND2 ASN A 55 6.600 3.949 8.050 1.00 0.00 N ATOM 0 H ASN A 55 10.779 1.856 7.949 1.00 0.00 H new ATOM 0 HA ASN A 55 8.391 1.752 6.458 1.00 0.00 H new ATOM 0 HB2 ASN A 55 8.831 3.001 8.618 1.00 0.00 H new ATOM 0 HB3 ASN A 55 9.766 4.168 7.703 1.00 0.00 H new ATOM 0 HD21 ASN A 55 5.716 4.427 7.872 1.00 0.00 H new ATOM 0 HD22 ASN A 55 6.666 3.263 8.801 1.00 0.00 H new ATOM 780 N LEU A 56 9.161 2.425 4.177 1.00 0.00 N ATOM 781 CA LEU A 56 9.422 2.946 2.840 1.00 0.00 C ATOM 782 C LEU A 56 8.210 3.702 2.305 1.00 0.00 C ATOM 783 O LEU A 56 8.026 3.821 1.094 1.00 0.00 O ATOM 784 CB LEU A 56 9.787 1.805 1.889 1.00 0.00 C ATOM 785 CG LEU A 56 11.055 1.024 2.234 1.00 0.00 C ATOM 786 CD1 LEU A 56 11.061 -0.323 1.527 1.00 0.00 C ATOM 787 CD2 LEU A 56 12.294 1.827 1.865 1.00 0.00 C ATOM 0 H LEU A 56 8.615 1.563 4.195 1.00 0.00 H new ATOM 0 HA LEU A 56 10.261 3.639 2.904 1.00 0.00 H new ATOM 0 HB2 LEU A 56 8.952 1.106 1.855 1.00 0.00 H new ATOM 0 HB3 LEU A 56 9.899 2.217 0.886 1.00 0.00 H new ATOM 0 HG LEU A 56 11.068 0.847 3.310 1.00 0.00 H new ATOM 0 HD11 LEU A 56 11.971 -0.865 1.784 1.00 0.00 H new ATOM 0 HD12 LEU A 56 10.193 -0.902 1.841 1.00 0.00 H new ATOM 0 HD13 LEU A 56 11.024 -0.168 0.449 1.00 0.00 H new ATOM 0 HD21 LEU A 56 13.187 1.255 2.118 1.00 0.00 H new ATOM 0 HD22 LEU A 56 12.287 2.035 0.795 1.00 0.00 H new ATOM 0 HD23 LEU A 56 12.296 2.767 2.417 1.00 0.00 H new ATOM 799 N ALA A 57 7.388 4.213 3.215 1.00 0.00 N ATOM 800 CA ALA A 57 6.197 4.961 2.834 1.00 0.00 C ATOM 801 C ALA A 57 6.566 6.232 2.077 1.00 0.00 C ATOM 802 O ALA A 57 7.262 7.099 2.602 1.00 0.00 O ATOM 803 CB ALA A 57 5.370 5.300 4.066 1.00 0.00 C ATOM 0 H ALA A 57 7.525 4.123 4.222 1.00 0.00 H new ATOM 0 HA ALA A 57 5.601 4.334 2.171 1.00 0.00 H new ATOM 0 HB1 ALA A 57 4.483 5.859 3.767 1.00 0.00 H new ATOM 0 HB2 ALA A 57 5.067 4.380 4.566 1.00 0.00 H new ATOM 0 HB3 ALA A 57 5.966 5.905 4.749 1.00 0.00 H new ATOM 809 N ASN A 58 6.093 6.335 0.838 1.00 0.00 N ATOM 810 CA ASN A 58 6.375 7.500 0.008 1.00 0.00 C ATOM 811 C ASN A 58 7.870 7.622 -0.270 1.00 0.00 C ATOM 812 O ASN A 58 8.381 8.715 -0.515 1.00 0.00 O ATOM 813 CB ASN A 58 5.866 8.773 0.688 1.00 0.00 C ATOM 814 CG ASN A 58 4.448 8.625 1.203 1.00 0.00 C ATOM 815 OD1 ASN A 58 3.503 8.496 0.424 1.00 0.00 O ATOM 816 ND2 ASN A 58 4.292 8.645 2.522 1.00 0.00 N ATOM 0 H ASN A 58 5.514 5.626 0.388 1.00 0.00 H new ATOM 0 HA ASN A 58 5.856 7.371 -0.942 1.00 0.00 H new ATOM 0 HB2 ASN A 58 6.526 9.028 1.517 1.00 0.00 H new ATOM 0 HB3 ASN A 58 5.908 9.601 -0.019 1.00 0.00 H new ATOM 0 HD21 ASN A 58 3.360 8.551 2.927 1.00 0.00 H new ATOM 0 HD22 ASN A 58 5.104 8.754 3.130 1.00 0.00 H new ATOM 823 N LYS A 59 8.567 6.491 -0.231 1.00 0.00 N ATOM 824 CA LYS A 59 10.004 6.469 -0.480 1.00 0.00 C ATOM 825 C LYS A 59 10.342 5.522 -1.627 1.00 0.00 C ATOM 826 O LYS A 59 9.452 4.953 -2.259 1.00 0.00 O ATOM 827 CB LYS A 59 10.755 6.045 0.784 1.00 0.00 C ATOM 828 CG LYS A 59 10.532 6.975 1.964 1.00 0.00 C ATOM 829 CD LYS A 59 10.780 6.268 3.286 1.00 0.00 C ATOM 830 CE LYS A 59 11.112 7.256 4.393 1.00 0.00 C ATOM 831 NZ LYS A 59 9.947 8.119 4.734 1.00 0.00 N ATOM 0 H LYS A 59 8.160 5.578 -0.029 1.00 0.00 H new ATOM 0 HA LYS A 59 10.315 7.476 -0.759 1.00 0.00 H new ATOM 0 HB2 LYS A 59 10.443 5.038 1.062 1.00 0.00 H new ATOM 0 HB3 LYS A 59 11.822 5.999 0.565 1.00 0.00 H new ATOM 0 HG2 LYS A 59 11.196 7.836 1.881 1.00 0.00 H new ATOM 0 HG3 LYS A 59 9.511 7.356 1.940 1.00 0.00 H new ATOM 0 HD2 LYS A 59 9.897 5.693 3.563 1.00 0.00 H new ATOM 0 HD3 LYS A 59 11.600 5.559 3.172 1.00 0.00 H new ATOM 0 HE2 LYS A 59 11.433 6.712 5.281 1.00 0.00 H new ATOM 0 HE3 LYS A 59 11.949 7.882 4.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 10.214 8.779 5.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 9.656 8.658 3.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 9.156 7.524 5.055 1.00 0.00 H new ATOM 845 N ARG A 60 11.635 5.355 -1.889 1.00 0.00 N ATOM 846 CA ARG A 60 12.090 4.476 -2.960 1.00 0.00 C ATOM 847 C ARG A 60 12.051 3.016 -2.518 1.00 0.00 C ATOM 848 O ARG A 60 12.519 2.672 -1.432 1.00 0.00 O ATOM 849 CB ARG A 60 13.510 4.853 -3.388 1.00 0.00 C ATOM 850 CG ARG A 60 13.870 4.378 -4.786 1.00 0.00 C ATOM 851 CD ARG A 60 13.267 5.278 -5.853 1.00 0.00 C ATOM 852 NE ARG A 60 14.093 6.455 -6.108 1.00 0.00 N ATOM 853 CZ ARG A 60 13.738 7.440 -6.924 1.00 0.00 C ATOM 854 NH1 ARG A 60 12.576 7.391 -7.562 1.00 0.00 N ATOM 855 NH2 ARG A 60 14.544 8.478 -7.104 1.00 0.00 N ATOM 0 H ARG A 60 12.385 5.817 -1.375 1.00 0.00 H new ATOM 0 HA ARG A 60 11.417 4.599 -3.809 1.00 0.00 H new ATOM 0 HB2 ARG A 60 13.619 5.937 -3.342 1.00 0.00 H new ATOM 0 HB3 ARG A 60 14.219 4.431 -2.676 1.00 0.00 H new ATOM 0 HG2 ARG A 60 14.954 4.357 -4.896 1.00 0.00 H new ATOM 0 HG3 ARG A 60 13.516 3.357 -4.927 1.00 0.00 H new ATOM 0 HD2 ARG A 60 13.146 4.713 -6.777 1.00 0.00 H new ATOM 0 HD3 ARG A 60 12.272 5.594 -5.540 1.00 0.00 H new ATOM 0 HE ARG A 60 14.993 6.524 -5.633 1.00 0.00 H new ATOM 0 HH11 ARG A 60 11.953 6.595 -7.426 1.00 0.00 H new ATOM 0 HH12 ARG A 60 12.306 8.149 -8.188 1.00 0.00 H new ATOM 0 HH21 ARG A 60 15.438 8.520 -6.615 1.00 0.00 H new ATOM 0 HH22 ARG A 60 14.270 9.234 -7.731 1.00 0.00 H new ATOM 869 N PHE A 61 11.489 2.162 -3.366 1.00 0.00 N ATOM 870 CA PHE A 61 11.387 0.739 -3.063 1.00 0.00 C ATOM 871 C PHE A 61 11.546 -0.099 -4.328 1.00 0.00 C ATOM 872 O PHE A 61 11.799 0.431 -5.410 1.00 0.00 O ATOM 873 CB PHE A 61 10.043 0.432 -2.400 1.00 0.00 C ATOM 874 CG PHE A 61 8.861 0.720 -3.281 1.00 0.00 C ATOM 875 CD1 PHE A 61 8.365 2.009 -3.399 1.00 0.00 C ATOM 876 CD2 PHE A 61 8.245 -0.298 -3.991 1.00 0.00 C ATOM 877 CE1 PHE A 61 7.277 2.276 -4.208 1.00 0.00 C ATOM 878 CE2 PHE A 61 7.156 -0.036 -4.802 1.00 0.00 C ATOM 879 CZ PHE A 61 6.673 1.253 -4.911 1.00 0.00 C ATOM 0 H PHE A 61 11.097 2.430 -4.269 1.00 0.00 H new ATOM 0 HA PHE A 61 12.191 0.481 -2.374 1.00 0.00 H new ATOM 0 HB2 PHE A 61 10.022 -0.618 -2.109 1.00 0.00 H new ATOM 0 HB3 PHE A 61 9.956 1.018 -1.485 1.00 0.00 H new ATOM 0 HD1 PHE A 61 8.834 2.814 -2.852 1.00 0.00 H new ATOM 0 HD2 PHE A 61 8.620 -1.308 -3.910 1.00 0.00 H new ATOM 0 HE1 PHE A 61 6.899 3.284 -4.290 1.00 0.00 H new ATOM 0 HE2 PHE A 61 6.684 -0.838 -5.349 1.00 0.00 H new ATOM 0 HZ PHE A 61 5.824 1.461 -5.545 1.00 0.00 H new ATOM 889 N VAL A 62 11.397 -1.412 -4.184 1.00 0.00 N ATOM 890 CA VAL A 62 11.523 -2.325 -5.314 1.00 0.00 C ATOM 891 C VAL A 62 10.521 -3.470 -5.210 1.00 0.00 C ATOM 892 O VAL A 62 10.672 -4.368 -4.381 1.00 0.00 O ATOM 893 CB VAL A 62 12.945 -2.909 -5.407 1.00 0.00 C ATOM 894 CG1 VAL A 62 13.049 -3.880 -6.573 1.00 0.00 C ATOM 895 CG2 VAL A 62 13.971 -1.794 -5.538 1.00 0.00 C ATOM 0 H VAL A 62 11.189 -1.867 -3.295 1.00 0.00 H new ATOM 0 HA VAL A 62 11.316 -1.746 -6.214 1.00 0.00 H new ATOM 0 HB VAL A 62 13.154 -3.458 -4.489 1.00 0.00 H new ATOM 0 HG11 VAL A 62 14.061 -4.282 -6.622 1.00 0.00 H new ATOM 0 HG12 VAL A 62 12.341 -4.696 -6.431 1.00 0.00 H new ATOM 0 HG13 VAL A 62 12.820 -3.358 -7.502 1.00 0.00 H new ATOM 0 HG21 VAL A 62 14.970 -2.225 -5.602 1.00 0.00 H new ATOM 0 HG22 VAL A 62 13.766 -1.215 -6.439 1.00 0.00 H new ATOM 0 HG23 VAL A 62 13.913 -1.142 -4.667 1.00 0.00 H new ATOM 905 N PHE A 63 9.498 -3.432 -6.057 1.00 0.00 N ATOM 906 CA PHE A 63 8.470 -4.466 -6.061 1.00 0.00 C ATOM 907 C PHE A 63 9.013 -5.770 -6.638 1.00 0.00 C ATOM 908 O PHE A 63 9.425 -5.825 -7.797 1.00 0.00 O ATOM 909 CB PHE A 63 7.256 -4.004 -6.869 1.00 0.00 C ATOM 910 CG PHE A 63 5.961 -4.606 -6.403 1.00 0.00 C ATOM 911 CD1 PHE A 63 5.556 -4.475 -5.084 1.00 0.00 C ATOM 912 CD2 PHE A 63 5.150 -5.305 -7.283 1.00 0.00 C ATOM 913 CE1 PHE A 63 4.365 -5.028 -4.652 1.00 0.00 C ATOM 914 CE2 PHE A 63 3.958 -5.859 -6.856 1.00 0.00 C ATOM 915 CZ PHE A 63 3.566 -5.722 -5.539 1.00 0.00 C ATOM 0 H PHE A 63 9.359 -2.696 -6.750 1.00 0.00 H new ATOM 0 HA PHE A 63 8.165 -4.645 -5.030 1.00 0.00 H new ATOM 0 HB2 PHE A 63 7.184 -2.918 -6.812 1.00 0.00 H new ATOM 0 HB3 PHE A 63 7.409 -4.259 -7.918 1.00 0.00 H new ATOM 0 HD1 PHE A 63 6.178 -3.935 -4.386 1.00 0.00 H new ATOM 0 HD2 PHE A 63 5.453 -5.418 -8.314 1.00 0.00 H new ATOM 0 HE1 PHE A 63 4.060 -4.917 -3.622 1.00 0.00 H new ATOM 0 HE2 PHE A 63 3.333 -6.399 -7.552 1.00 0.00 H new ATOM 0 HZ PHE A 63 2.636 -6.157 -5.203 1.00 0.00 H new ATOM 925 N HIS A 64 9.010 -6.818 -5.821 1.00 0.00 N ATOM 926 CA HIS A 64 9.501 -8.123 -6.249 1.00 0.00 C ATOM 927 C HIS A 64 8.728 -9.246 -5.565 1.00 0.00 C ATOM 928 O HIS A 64 8.466 -9.189 -4.364 1.00 0.00 O ATOM 929 CB HIS A 64 10.993 -8.255 -5.943 1.00 0.00 C ATOM 930 CG HIS A 64 11.684 -9.299 -6.766 1.00 0.00 C ATOM 931 ND1 HIS A 64 11.736 -9.258 -8.143 1.00 0.00 N ATOM 932 CD2 HIS A 64 12.355 -10.415 -6.398 1.00 0.00 C ATOM 933 CE1 HIS A 64 12.407 -10.306 -8.587 1.00 0.00 C ATOM 934 NE2 HIS A 64 12.794 -11.024 -7.548 1.00 0.00 N ATOM 0 H HIS A 64 8.673 -6.789 -4.859 1.00 0.00 H new ATOM 0 HA HIS A 64 9.350 -8.205 -7.325 1.00 0.00 H new ATOM 0 HB2 HIS A 64 11.476 -7.293 -6.112 1.00 0.00 H new ATOM 0 HB3 HIS A 64 11.119 -8.494 -4.887 1.00 0.00 H new ATOM 0 HD2 HIS A 64 12.515 -10.762 -5.388 1.00 0.00 H new ATOM 0 HE1 HIS A 64 12.605 -10.536 -9.623 1.00 0.00 H new ATOM 0 HE2 HIS A 64 13.331 -11.890 -7.593 1.00 0.00 H new ATOM 942 N GLN A 65 8.366 -10.265 -6.338 1.00 0.00 N ATOM 943 CA GLN A 65 7.622 -11.400 -5.805 1.00 0.00 C ATOM 944 C GLN A 65 6.381 -10.933 -5.052 1.00 0.00 C ATOM 945 O GLN A 65 6.111 -11.387 -3.941 1.00 0.00 O ATOM 946 CB GLN A 65 8.512 -12.232 -4.880 1.00 0.00 C ATOM 947 CG GLN A 65 9.521 -13.095 -5.619 1.00 0.00 C ATOM 948 CD GLN A 65 8.877 -14.276 -6.319 1.00 0.00 C ATOM 949 OE1 GLN A 65 8.153 -15.059 -5.703 1.00 0.00 O ATOM 950 NE2 GLN A 65 9.136 -14.410 -7.615 1.00 0.00 N ATOM 0 H GLN A 65 8.576 -10.328 -7.334 1.00 0.00 H new ATOM 0 HA GLN A 65 7.304 -12.019 -6.644 1.00 0.00 H new ATOM 0 HB2 GLN A 65 9.045 -11.563 -4.204 1.00 0.00 H new ATOM 0 HB3 GLN A 65 7.882 -12.873 -4.263 1.00 0.00 H new ATOM 0 HG2 GLN A 65 10.047 -12.485 -6.353 1.00 0.00 H new ATOM 0 HG3 GLN A 65 10.268 -13.459 -4.914 1.00 0.00 H new ATOM 0 HE21 GLN A 65 9.742 -13.738 -8.086 1.00 0.00 H new ATOM 0 HE22 GLN A 65 8.729 -15.185 -8.139 1.00 0.00 H new ATOM 959 N GLU A 66 5.630 -10.023 -5.666 1.00 0.00 N ATOM 960 CA GLU A 66 4.419 -9.493 -5.051 1.00 0.00 C ATOM 961 C GLU A 66 4.715 -8.921 -3.668 1.00 0.00 C ATOM 962 O GLU A 66 3.844 -8.891 -2.799 1.00 0.00 O ATOM 963 CB GLU A 66 3.354 -10.587 -4.946 1.00 0.00 C ATOM 964 CG GLU A 66 2.801 -11.030 -6.290 1.00 0.00 C ATOM 965 CD GLU A 66 1.693 -10.124 -6.792 1.00 0.00 C ATOM 966 OE1 GLU A 66 1.344 -9.162 -6.076 1.00 0.00 O ATOM 967 OE2 GLU A 66 1.176 -10.376 -7.900 1.00 0.00 O ATOM 0 H GLU A 66 5.839 -9.638 -6.587 1.00 0.00 H new ATOM 0 HA GLU A 66 4.043 -8.689 -5.684 1.00 0.00 H new ATOM 0 HB2 GLU A 66 3.781 -11.450 -4.436 1.00 0.00 H new ATOM 0 HB3 GLU A 66 2.533 -10.225 -4.327 1.00 0.00 H new ATOM 0 HG2 GLU A 66 3.608 -11.050 -7.022 1.00 0.00 H new ATOM 0 HG3 GLU A 66 2.422 -12.048 -6.205 1.00 0.00 H new ATOM 974 N GLN A 67 5.950 -8.470 -3.473 1.00 0.00 N ATOM 975 CA GLN A 67 6.362 -7.901 -2.195 1.00 0.00 C ATOM 976 C GLN A 67 7.141 -6.606 -2.402 1.00 0.00 C ATOM 977 O GLN A 67 7.347 -6.168 -3.533 1.00 0.00 O ATOM 978 CB GLN A 67 7.215 -8.904 -1.417 1.00 0.00 C ATOM 979 CG GLN A 67 6.402 -9.994 -0.735 1.00 0.00 C ATOM 980 CD GLN A 67 7.213 -11.248 -0.473 1.00 0.00 C ATOM 981 OE1 GLN A 67 8.200 -11.518 -1.157 1.00 0.00 O ATOM 982 NE2 GLN A 67 6.799 -12.023 0.523 1.00 0.00 N ATOM 0 H GLN A 67 6.682 -8.487 -4.183 1.00 0.00 H new ATOM 0 HA GLN A 67 5.464 -7.676 -1.620 1.00 0.00 H new ATOM 0 HB2 GLN A 67 7.929 -9.367 -2.098 1.00 0.00 H new ATOM 0 HB3 GLN A 67 7.794 -8.369 -0.664 1.00 0.00 H new ATOM 0 HG2 GLN A 67 6.012 -9.614 0.209 1.00 0.00 H new ATOM 0 HG3 GLN A 67 5.543 -10.245 -1.357 1.00 0.00 H new ATOM 0 HE21 GLN A 67 5.975 -11.761 1.065 1.00 0.00 H new ATOM 0 HE22 GLN A 67 7.305 -12.880 0.746 1.00 0.00 H new ATOM 991 N VAL A 68 7.570 -5.998 -1.301 1.00 0.00 N ATOM 992 CA VAL A 68 8.327 -4.753 -1.361 1.00 0.00 C ATOM 993 C VAL A 68 9.676 -4.895 -0.664 1.00 0.00 C ATOM 994 O VAL A 68 9.772 -5.495 0.407 1.00 0.00 O ATOM 995 CB VAL A 68 7.549 -3.591 -0.716 1.00 0.00 C ATOM 996 CG1 VAL A 68 8.328 -2.291 -0.842 1.00 0.00 C ATOM 997 CG2 VAL A 68 6.171 -3.459 -1.347 1.00 0.00 C ATOM 0 H VAL A 68 7.406 -6.347 -0.357 1.00 0.00 H new ATOM 0 HA VAL A 68 8.488 -4.532 -2.416 1.00 0.00 H new ATOM 0 HB VAL A 68 7.420 -3.807 0.344 1.00 0.00 H new ATOM 0 HG11 VAL A 68 7.762 -1.482 -0.381 1.00 0.00 H new ATOM 0 HG12 VAL A 68 9.290 -2.393 -0.340 1.00 0.00 H new ATOM 0 HG13 VAL A 68 8.491 -2.065 -1.896 1.00 0.00 H new ATOM 0 HG21 VAL A 68 5.634 -2.633 -0.880 1.00 0.00 H new ATOM 0 HG22 VAL A 68 6.277 -3.265 -2.414 1.00 0.00 H new ATOM 0 HG23 VAL A 68 5.613 -4.384 -1.200 1.00 0.00 H new ATOM 1007 N TYR A 69 10.714 -4.339 -1.278 1.00 0.00 N ATOM 1008 CA TYR A 69 12.058 -4.405 -0.717 1.00 0.00 C ATOM 1009 C TYR A 69 12.853 -3.148 -1.056 1.00 0.00 C ATOM 1010 O TYR A 69 13.041 -2.814 -2.226 1.00 0.00 O ATOM 1011 CB TYR A 69 12.792 -5.641 -1.241 1.00 0.00 C ATOM 1012 CG TYR A 69 12.186 -6.947 -0.777 1.00 0.00 C ATOM 1013 CD1 TYR A 69 12.580 -7.531 0.421 1.00 0.00 C ATOM 1014 CD2 TYR A 69 11.221 -7.597 -1.537 1.00 0.00 C ATOM 1015 CE1 TYR A 69 12.030 -8.724 0.848 1.00 0.00 C ATOM 1016 CE2 TYR A 69 10.664 -8.789 -1.116 1.00 0.00 C ATOM 1017 CZ TYR A 69 11.072 -9.349 0.076 1.00 0.00 C ATOM 1018 OH TYR A 69 10.521 -10.537 0.498 1.00 0.00 O ATOM 0 H TYR A 69 10.651 -3.838 -2.164 1.00 0.00 H new ATOM 0 HA TYR A 69 11.968 -4.475 0.367 1.00 0.00 H new ATOM 0 HB2 TYR A 69 12.793 -5.618 -2.331 1.00 0.00 H new ATOM 0 HB3 TYR A 69 13.833 -5.599 -0.920 1.00 0.00 H new ATOM 0 HD1 TYR A 69 13.329 -7.044 1.028 1.00 0.00 H new ATOM 0 HD2 TYR A 69 10.901 -7.163 -2.473 1.00 0.00 H new ATOM 0 HE1 TYR A 69 12.348 -9.165 1.781 1.00 0.00 H new ATOM 0 HE2 TYR A 69 9.913 -9.280 -1.717 1.00 0.00 H new ATOM 0 HH TYR A 69 9.787 -10.788 -0.101 1.00 0.00 H new ATOM 1028 N CYS A 70 13.317 -2.453 -0.022 1.00 0.00 N ATOM 1029 CA CYS A 70 14.091 -1.232 -0.207 1.00 0.00 C ATOM 1030 C CYS A 70 15.242 -1.460 -1.182 1.00 0.00 C ATOM 1031 O CYS A 70 15.678 -2.588 -1.414 1.00 0.00 O ATOM 1032 CB CYS A 70 14.635 -0.740 1.136 1.00 0.00 C ATOM 1033 SG CYS A 70 15.424 -2.039 2.139 1.00 0.00 S ATOM 0 H CYS A 70 13.170 -2.715 0.953 1.00 0.00 H new ATOM 0 HA CYS A 70 13.430 -0.472 -0.624 1.00 0.00 H new ATOM 0 HB2 CYS A 70 15.360 0.054 0.954 1.00 0.00 H new ATOM 0 HB3 CYS A 70 13.818 -0.300 1.708 1.00 0.00 H new ATOM 1038 N PRO A 71 15.748 -0.364 -1.768 1.00 0.00 N ATOM 1039 CA PRO A 71 16.855 -0.418 -2.726 1.00 0.00 C ATOM 1040 C PRO A 71 18.014 -1.274 -2.226 1.00 0.00 C ATOM 1041 O PRO A 71 18.644 -1.996 -3.000 1.00 0.00 O ATOM 1042 CB PRO A 71 17.287 1.045 -2.852 1.00 0.00 C ATOM 1043 CG PRO A 71 16.068 1.831 -2.512 1.00 0.00 C ATOM 1044 CD PRO A 71 15.277 1.012 -1.538 1.00 0.00 C ATOM 0 HA PRO A 71 16.554 -0.871 -3.671 1.00 0.00 H new ATOM 0 HB2 PRO A 71 18.108 1.275 -2.173 1.00 0.00 H new ATOM 0 HB3 PRO A 71 17.634 1.270 -3.860 1.00 0.00 H new ATOM 0 HG2 PRO A 71 16.338 2.793 -2.077 1.00 0.00 H new ATOM 0 HG3 PRO A 71 15.481 2.039 -3.407 1.00 0.00 H new ATOM 0 HD2 PRO A 71 15.457 1.329 -0.511 1.00 0.00 H new ATOM 0 HD3 PRO A 71 14.206 1.103 -1.717 1.00 0.00 H new ATOM 1052 N ASP A 72 18.289 -1.190 -0.929 1.00 0.00 N ATOM 1053 CA ASP A 72 19.371 -1.959 -0.326 1.00 0.00 C ATOM 1054 C ASP A 72 19.070 -3.454 -0.378 1.00 0.00 C ATOM 1055 O ASP A 72 19.749 -4.211 -1.072 1.00 0.00 O ATOM 1056 CB ASP A 72 19.590 -1.520 1.123 1.00 0.00 C ATOM 1057 CG ASP A 72 20.925 -1.983 1.672 1.00 0.00 C ATOM 1058 OD1 ASP A 72 21.967 -1.603 1.098 1.00 0.00 O ATOM 1059 OD2 ASP A 72 20.928 -2.727 2.676 1.00 0.00 O ATOM 0 H ASP A 72 17.778 -0.597 -0.275 1.00 0.00 H new ATOM 0 HA ASP A 72 20.280 -1.770 -0.897 1.00 0.00 H new ATOM 0 HB2 ASP A 72 19.533 -0.433 1.183 1.00 0.00 H new ATOM 0 HB3 ASP A 72 18.787 -1.916 1.745 1.00 0.00 H new ATOM 1064 N CYS A 73 18.049 -3.872 0.363 1.00 0.00 N ATOM 1065 CA CYS A 73 17.659 -5.276 0.403 1.00 0.00 C ATOM 1066 C CYS A 73 17.466 -5.828 -1.007 1.00 0.00 C ATOM 1067 O CYS A 73 17.802 -6.979 -1.285 1.00 0.00 O ATOM 1068 CB CYS A 73 16.369 -5.446 1.209 1.00 0.00 C ATOM 1069 SG CYS A 73 16.609 -5.392 3.014 1.00 0.00 S ATOM 0 H CYS A 73 17.477 -3.259 0.944 1.00 0.00 H new ATOM 0 HA CYS A 73 18.459 -5.835 0.887 1.00 0.00 H new ATOM 0 HB2 CYS A 73 15.668 -4.662 0.923 1.00 0.00 H new ATOM 0 HB3 CYS A 73 15.909 -6.398 0.942 1.00 0.00 H new ATOM 1074 N ALA A 74 16.923 -4.999 -1.892 1.00 0.00 N ATOM 1075 CA ALA A 74 16.688 -5.402 -3.273 1.00 0.00 C ATOM 1076 C ALA A 74 17.965 -5.932 -3.915 1.00 0.00 C ATOM 1077 O ALA A 74 17.924 -6.836 -4.750 1.00 0.00 O ATOM 1078 CB ALA A 74 16.136 -4.235 -4.077 1.00 0.00 C ATOM 0 H ALA A 74 16.637 -4.044 -1.677 1.00 0.00 H new ATOM 0 HA ALA A 74 15.953 -6.207 -3.270 1.00 0.00 H new ATOM 0 HB1 ALA A 74 15.965 -4.551 -5.106 1.00 0.00 H new ATOM 0 HB2 ALA A 74 15.195 -3.904 -3.638 1.00 0.00 H new ATOM 0 HB3 ALA A 74 16.852 -3.413 -4.063 1.00 0.00 H new ATOM 1084 N LYS A 75 19.100 -5.364 -3.521 1.00 0.00 N ATOM 1085 CA LYS A 75 20.391 -5.779 -4.057 1.00 0.00 C ATOM 1086 C LYS A 75 20.671 -7.243 -3.730 1.00 0.00 C ATOM 1087 O LYS A 75 21.356 -7.937 -4.480 1.00 0.00 O ATOM 1088 CB LYS A 75 21.507 -4.897 -3.494 1.00 0.00 C ATOM 1089 CG LYS A 75 21.313 -3.417 -3.774 1.00 0.00 C ATOM 1090 CD LYS A 75 22.643 -2.689 -3.875 1.00 0.00 C ATOM 1091 CE LYS A 75 23.409 -2.745 -2.562 1.00 0.00 C ATOM 1092 NZ LYS A 75 24.293 -3.941 -2.486 1.00 0.00 N ATOM 0 H LYS A 75 19.152 -4.614 -2.832 1.00 0.00 H new ATOM 0 HA LYS A 75 20.359 -5.667 -5.141 1.00 0.00 H new ATOM 0 HB2 LYS A 75 21.570 -5.049 -2.416 1.00 0.00 H new ATOM 0 HB3 LYS A 75 22.459 -5.216 -3.917 1.00 0.00 H new ATOM 0 HG2 LYS A 75 20.757 -3.291 -4.703 1.00 0.00 H new ATOM 0 HG3 LYS A 75 20.713 -2.971 -2.981 1.00 0.00 H new ATOM 0 HD2 LYS A 75 23.244 -3.135 -4.668 1.00 0.00 H new ATOM 0 HD3 LYS A 75 22.470 -1.649 -4.153 1.00 0.00 H new ATOM 0 HE2 LYS A 75 24.010 -1.842 -2.453 1.00 0.00 H new ATOM 0 HE3 LYS A 75 22.704 -2.761 -1.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 25.131 -3.717 -1.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 23.774 -4.729 -2.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 24.592 -4.213 -3.444 1.00 0.00 H new ATOM 1106 N LYS A 76 20.135 -7.706 -2.605 1.00 0.00 N ATOM 1107 CA LYS A 76 20.324 -9.087 -2.179 1.00 0.00 C ATOM 1108 C LYS A 76 19.476 -10.037 -3.019 1.00 0.00 C ATOM 1109 O LYS A 76 19.812 -11.211 -3.178 1.00 0.00 O ATOM 1110 CB LYS A 76 19.965 -9.240 -0.699 1.00 0.00 C ATOM 1111 CG LYS A 76 20.706 -8.273 0.209 1.00 0.00 C ATOM 1112 CD LYS A 76 20.188 -8.341 1.636 1.00 0.00 C ATOM 1113 CE LYS A 76 20.557 -9.658 2.300 1.00 0.00 C ATOM 1114 NZ LYS A 76 20.071 -9.725 3.706 1.00 0.00 N ATOM 0 H LYS A 76 19.566 -7.144 -1.972 1.00 0.00 H new ATOM 0 HA LYS A 76 21.374 -9.344 -2.321 1.00 0.00 H new ATOM 0 HB2 LYS A 76 18.892 -9.091 -0.577 1.00 0.00 H new ATOM 0 HB3 LYS A 76 20.183 -10.261 -0.384 1.00 0.00 H new ATOM 0 HG2 LYS A 76 21.771 -8.504 0.196 1.00 0.00 H new ATOM 0 HG3 LYS A 76 20.595 -7.258 -0.171 1.00 0.00 H new ATOM 0 HD2 LYS A 76 20.600 -7.513 2.213 1.00 0.00 H new ATOM 0 HD3 LYS A 76 19.104 -8.223 1.637 1.00 0.00 H new ATOM 0 HE2 LYS A 76 20.133 -10.484 1.729 1.00 0.00 H new ATOM 0 HE3 LYS A 76 21.640 -9.782 2.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 20.342 -10.638 4.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 20.495 -8.952 4.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 19.035 -9.632 3.720 1.00 0.00 H new ATOM 1128 N LEU A 77 18.375 -9.521 -3.557 1.00 0.00 N ATOM 1129 CA LEU A 77 17.479 -10.323 -4.383 1.00 0.00 C ATOM 1130 C LEU A 77 18.099 -10.599 -5.749 1.00 0.00 C ATOM 1131 O LEU A 77 18.983 -9.871 -6.199 1.00 0.00 O ATOM 1132 CB LEU A 77 16.137 -9.610 -4.554 1.00 0.00 C ATOM 1133 CG LEU A 77 15.495 -9.072 -3.274 1.00 0.00 C ATOM 1134 CD1 LEU A 77 14.268 -8.236 -3.604 1.00 0.00 C ATOM 1135 CD2 LEU A 77 15.128 -10.216 -2.340 1.00 0.00 C ATOM 0 H LEU A 77 18.082 -8.552 -3.436 1.00 0.00 H new ATOM 0 HA LEU A 77 17.316 -11.276 -3.880 1.00 0.00 H new ATOM 0 HB2 LEU A 77 16.276 -8.778 -5.245 1.00 0.00 H new ATOM 0 HB3 LEU A 77 15.438 -10.302 -5.024 1.00 0.00 H new ATOM 0 HG LEU A 77 16.219 -8.434 -2.767 1.00 0.00 H new ATOM 0 HD11 LEU A 77 13.824 -7.861 -2.682 1.00 0.00 H new ATOM 0 HD12 LEU A 77 14.559 -7.396 -4.234 1.00 0.00 H new ATOM 0 HD13 LEU A 77 13.540 -8.851 -4.133 1.00 0.00 H new ATOM 0 HD21 LEU A 77 14.673 -9.815 -1.435 1.00 0.00 H new ATOM 0 HD22 LEU A 77 14.421 -10.880 -2.838 1.00 0.00 H new ATOM 0 HD23 LEU A 77 16.027 -10.774 -2.077 1.00 0.00 H new TER 1147 LEU A 77 HETATM 1148 ZN ZN A 200 -2.863 -1.945 5.399 1.00 0.00 ZN HETATM 1149 ZN ZN A 300 14.980 -3.804 3.546 1.00 0.00 ZN